Directory of Open Access Journals (Sweden)
Heng-Yi Su
2016-11-01
Full Text Available This paper proposes an efficient approach for the computation of voltage stability margin (VSM in a large-scale power grid. The objective is to accurately and rapidly determine the load power margin which corresponds to voltage collapse phenomena. The proposed approach is based on the impedance match-based technique and the model-based technique. It combines the Thevenin equivalent (TE network method with cubic spline extrapolation technique and the continuation technique to achieve fast and accurate VSM computation for a bulk power grid. Moreover, the generator Q limits are taken into account for practical applications. Extensive case studies carried out on Institute of Electrical and Electronics Engineers (IEEE benchmark systems and the Taiwan Power Company (Taipower, Taipei, Taiwan system are used to demonstrate the effectiveness of the proposed approach.
A simplified approach to characterizing a kilovoltage source spectrum for accurate dose computation
Energy Technology Data Exchange (ETDEWEB)
Poirier, Yannick; Kouznetsov, Alexei; Tambasco, Mauro [Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 4N2 (Canada); Department of Physics and Astronomy and Department of Oncology, University of Calgary and Tom Baker Cancer Centre, Calgary, Alberta T2N 4N2 (Canada)
2012-06-15
2% for the homogeneous and heterogeneous block phantoms, and agreement for the transverse dose profiles was within 6%. Conclusions: The HVL and kVp are sufficient for characterizing a kV x-ray source spectrum for accurate dose computation. As these parameters can be easily and accurately measured, they provide for a clinically feasible approach to characterizing a kV energy spectrum to be used for patient specific x-ray dose computations. Furthermore, these results provide experimental validation of our novel hybrid dose computation algorithm.
Accurate atom-mapping computation for biochemical reactions.
Latendresse, Mario; Malerich, Jeremiah P; Travers, Mike; Karp, Peter D
2012-11-26
The complete atom mapping of a chemical reaction is a bijection of the reactant atoms to the product atoms that specifies the terminus of each reactant atom. Atom mapping of biochemical reactions is useful for many applications of systems biology, in particular for metabolic engineering where synthesizing new biochemical pathways has to take into account for the number of carbon atoms from a source compound that are conserved in the synthesis of a target compound. Rapid, accurate computation of the atom mapping(s) of a biochemical reaction remains elusive despite significant work on this topic. In particular, past researchers did not validate the accuracy of mapping algorithms. We introduce a new method for computing atom mappings called the minimum weighted edit-distance (MWED) metric. The metric is based on bond propensity to react and computes biochemically valid atom mappings for a large percentage of biochemical reactions. MWED models can be formulated efficiently as Mixed-Integer Linear Programs (MILPs). We have demonstrated this approach on 7501 reactions of the MetaCyc database for which 87% of the models could be solved in less than 10 s. For 2.1% of the reactions, we found multiple optimal atom mappings. We show that the error rate is 0.9% (22 reactions) by comparing these atom mappings to 2446 atom mappings of the manually curated Kyoto Encyclopedia of Genes and Genomes (KEGG) RPAIR database. To our knowledge, our computational atom-mapping approach is the most accurate and among the fastest published to date. The atom-mapping data will be available in the MetaCyc database later in 2012; the atom-mapping software will be available within the Pathway Tools software later in 2012.
Automated Development of Accurate Algorithms and Efficient Codes for Computational Aeroacoustics
Goodrich, John W.; Dyson, Rodger W.
1999-01-01
The simulation of sound generation and propagation in three space dimensions with realistic aircraft components is a very large time dependent computation with fine details. Simulations in open domains with embedded objects require accurate and robust algorithms for propagation, for artificial inflow and outflow boundaries, and for the definition of geometrically complex objects. The development, implementation, and validation of methods for solving these demanding problems is being done to support the NASA pillar goals for reducing aircraft noise levels. Our goal is to provide algorithms which are sufficiently accurate and efficient to produce usable results rapidly enough to allow design engineers to study the effects on sound levels of design changes in propulsion systems, and in the integration of propulsion systems with airframes. There is a lack of design tools for these purposes at this time. Our technical approach to this problem combines the development of new, algorithms with the use of Mathematica and Unix utilities to automate the algorithm development, code implementation, and validation. We use explicit methods to ensure effective implementation by domain decomposition for SPMD parallel computing. There are several orders of magnitude difference in the computational efficiencies of the algorithms which we have considered. We currently have new artificial inflow and outflow boundary conditions that are stable, accurate, and unobtrusive, with implementations that match the accuracy and efficiency of the propagation methods. The artificial numerical boundary treatments have been proven to have solutions which converge to the full open domain problems, so that the error from the boundary treatments can be driven as low as is required. The purpose of this paper is to briefly present a method for developing highly accurate algorithms for computational aeroacoustics, the use of computer automation in this process, and a brief survey of the algorithms that
Directory of Open Access Journals (Sweden)
David M. Benoit
2011-08-01
Full Text Available We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation of the vibrational self-consistent field approach and its correlation corrections. We show that our approach is both robust, accurate and can be easily deployed on computational grids in order to provide an efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters.
International Nuclear Information System (INIS)
Chang, Chih-Hao; Liou, Meng-Sing
2007-01-01
In this paper, we propose a new approach to compute compressible multifluid equations. Firstly, a single-pressure compressible multifluid model based on the stratified flow model is proposed. The stratified flow model, which defines different fluids in separated regions, is shown to be amenable to the finite volume method. We can apply the conservation law to each subregion and obtain a set of balance equations. Secondly, the AUSM + scheme, which is originally designed for the compressible gas flow, is extended to solve compressible liquid flows. By introducing additional dissipation terms into the numerical flux, the new scheme, called AUSM + -up, can be applied to both liquid and gas flows. Thirdly, the contribution to the numerical flux due to interactions between different phases is taken into account and solved by the exact Riemann solver. We will show that the proposed approach yields an accurate and robust method for computing compressible multiphase flows involving discontinuities, such as shock waves and fluid interfaces. Several one-dimensional test problems are used to demonstrate the capability of our method, including the Ransom's water faucet problem and the air-water shock tube problem. Finally, several two dimensional problems will show the capability to capture enormous details and complicated wave patterns in flows having large disparities in the fluid density and velocities, such as interactions between water shock wave and air bubble, between air shock wave and water column(s), and underwater explosion
Fast and accurate three-dimensional point spread function computation for fluorescence microscopy.
Li, Jizhou; Xue, Feng; Blu, Thierry
2017-06-01
The point spread function (PSF) plays a fundamental role in fluorescence microscopy. A realistic and accurately calculated PSF model can significantly improve the performance in 3D deconvolution microscopy and also the localization accuracy in single-molecule microscopy. In this work, we propose a fast and accurate approximation of the Gibson-Lanni model, which has been shown to represent the PSF suitably under a variety of imaging conditions. We express the Kirchhoff's integral in this model as a linear combination of rescaled Bessel functions, thus providing an integral-free way for the calculation. The explicit approximation error in terms of parameters is given numerically. Experiments demonstrate that the proposed approach results in a significantly smaller computational time compared with current state-of-the-art techniques to achieve the same accuracy. This approach can also be extended to other microscopy PSF models.
Accurate phylogenetic tree reconstruction from quartets: a heuristic approach.
Reaz, Rezwana; Bayzid, Md Shamsuzzoha; Rahman, M Sohel
2014-01-01
Supertree methods construct trees on a set of taxa (species) combining many smaller trees on the overlapping subsets of the entire set of taxa. A 'quartet' is an unrooted tree over 4 taxa, hence the quartet-based supertree methods combine many 4-taxon unrooted trees into a single and coherent tree over the complete set of taxa. Quartet-based phylogeny reconstruction methods have been receiving considerable attentions in the recent years. An accurate and efficient quartet-based method might be competitive with the current best phylogenetic tree reconstruction methods (such as maximum likelihood or Bayesian MCMC analyses), without being as computationally intensive. In this paper, we present a novel and highly accurate quartet-based phylogenetic tree reconstruction method. We performed an extensive experimental study to evaluate the accuracy and scalability of our approach on both simulated and biological datasets.
Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L
2016-01-01
Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.
A Highly Accurate Approach for Aeroelastic System with Hysteresis Nonlinearity
Directory of Open Access Journals (Sweden)
C. C. Cui
2017-01-01
Full Text Available We propose an accurate approach, based on the precise integration method, to solve the aeroelastic system of an airfoil with a pitch hysteresis. A major procedure for achieving high precision is to design a predictor-corrector algorithm. This algorithm enables accurate determination of switching points resulting from the hysteresis. Numerical examples show that the results obtained by the presented method are in excellent agreement with exact solutions. In addition, the high accuracy can be maintained as the time step increases in a reasonable range. It is also found that the Runge-Kutta method may sometimes provide quite different and even fallacious results, though the step length is much less than that adopted in the presented method. With such high computational accuracy, the presented method could be applicable in dynamical systems with hysteresis nonlinearities.
Accurate computation of Mathieu functions
Bibby, Malcolm M
2013-01-01
This lecture presents a modern approach for the computation of Mathieu functions. These functions find application in boundary value analysis such as electromagnetic scattering from elliptic cylinders and flat strips, as well as the analogous acoustic and optical problems, and many other applications in science and engineering. The authors review the traditional approach used for these functions, show its limitations, and provide an alternative ""tuned"" approach enabling improved accuracy and convergence. The performance of this approach is investigated for a wide range of parameters and mach
Energy Technology Data Exchange (ETDEWEB)
Allardice, J.T.; Jacomb-Hood, J.; Abulafi, A.M.; Williams, N.S. (Royal London Hospital (United Kingdom)); Cookson, J.; Dykes, E.; Holman, J. (London Hospital Medical College (United Kingdom))
1993-05-01
There is a need for accurate surface area measurement of internal anatomical structures in order to define light dosimetry in adjunctive intraoperative photodynamic therapy (AIOPDT). The authors investigated whether computer-assisted triangulation of serial sections generated by computed tomography (CT) scanning can give an accurate assessment of the surface area of the walls of the true pelvis after anterior resection and before colorectal anastomosis. They show that the technique of paper density tessellation is an acceptable method of measuring the surface areas of phantom objects, with a maximum error of 0.5%, and is used as the gold standard. Computer-assisted triangulation of CT images of standard geometric objects and accurately-constructed pelvic phantoms gives a surface area assessment with a maximum error of 2.5% compared with the gold standard. The CT images of 20 patients' pelves have been analysed by computer-assisted triangulation and this shows the surface area of the walls varies from 143 cm[sup 2] to 392 cm[sup 2]. (Author).
Computer-based personality judgments are more accurate than those made by humans.
Youyou, Wu; Kosinski, Michal; Stillwell, David
2015-01-27
Judging others' personalities is an essential skill in successful social living, as personality is a key driver behind people's interactions, behaviors, and emotions. Although accurate personality judgments stem from social-cognitive skills, developments in machine learning show that computer models can also make valid judgments. This study compares the accuracy of human and computer-based personality judgments, using a sample of 86,220 volunteers who completed a 100-item personality questionnaire. We show that (i) computer predictions based on a generic digital footprint (Facebook Likes) are more accurate (r = 0.56) than those made by the participants' Facebook friends using a personality questionnaire (r = 0.49); (ii) computer models show higher interjudge agreement; and (iii) computer personality judgments have higher external validity when predicting life outcomes such as substance use, political attitudes, and physical health; for some outcomes, they even outperform the self-rated personality scores. Computers outpacing humans in personality judgment presents significant opportunities and challenges in the areas of psychological assessment, marketing, and privacy.
Fast and accurate computation of projected two-point functions
Grasshorn Gebhardt, Henry S.; Jeong, Donghui
2018-01-01
We present the two-point function from the fast and accurate spherical Bessel transformation (2-FAST) algorithm1Our code is available at https://github.com/hsgg/twoFAST. for a fast and accurate computation of integrals involving one or two spherical Bessel functions. These types of integrals occur when projecting the galaxy power spectrum P (k ) onto the configuration space, ξℓν(r ), or spherical harmonic space, Cℓ(χ ,χ'). First, we employ the FFTLog transformation of the power spectrum to divide the calculation into P (k )-dependent coefficients and P (k )-independent integrations of basis functions multiplied by spherical Bessel functions. We find analytical expressions for the latter integrals in terms of special functions, for which recursion provides a fast and accurate evaluation. The algorithm, therefore, circumvents direct integration of highly oscillating spherical Bessel functions.
Computer-based personality judgments are more accurate than those made by humans
Youyou, Wu; Kosinski, Michal; Stillwell, David
2015-01-01
Judging others’ personalities is an essential skill in successful social living, as personality is a key driver behind people’s interactions, behaviors, and emotions. Although accurate personality judgments stem from social-cognitive skills, developments in machine learning show that computer models can also make valid judgments. This study compares the accuracy of human and computer-based personality judgments, using a sample of 86,220 volunteers who completed a 100-item personality questionnaire. We show that (i) computer predictions based on a generic digital footprint (Facebook Likes) are more accurate (r = 0.56) than those made by the participants’ Facebook friends using a personality questionnaire (r = 0.49); (ii) computer models show higher interjudge agreement; and (iii) computer personality judgments have higher external validity when predicting life outcomes such as substance use, political attitudes, and physical health; for some outcomes, they even outperform the self-rated personality scores. Computers outpacing humans in personality judgment presents significant opportunities and challenges in the areas of psychological assessment, marketing, and privacy. PMID:25583507
Microarray-based cancer prediction using soft computing approach.
Wang, Xiaosheng; Gotoh, Osamu
2009-05-26
One of the difficulties in using gene expression profiles to predict cancer is how to effectively select a few informative genes to construct accurate prediction models from thousands or ten thousands of genes. We screen highly discriminative genes and gene pairs to create simple prediction models involved in single genes or gene pairs on the basis of soft computing approach and rough set theory. Accurate cancerous prediction is obtained when we apply the simple prediction models for four cancerous gene expression datasets: CNS tumor, colon tumor, lung cancer and DLBCL. Some genes closely correlated with the pathogenesis of specific or general cancers are identified. In contrast with other models, our models are simple, effective and robust. Meanwhile, our models are interpretable for they are based on decision rules. Our results demonstrate that very simple models may perform well on cancerous molecular prediction and important gene markers of cancer can be detected if the gene selection approach is chosen reasonably.
Pineda, M.; Stamatakis, M.
2017-07-01
Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost. In this work, we use the so-called cluster mean-field approach to develop higher order approximations that systematically increase the accuracy of kinetic models by treating spatial correlations at a progressively higher level of detail. We further demonstrate our approach on a reduced model for NO oxidation incorporating first nearest-neighbor lateral interactions and construct a sequence of approximations of increasingly higher accuracy, which we compare with KMC and mean-field. The latter is found to perform rather poorly, overestimating the turnover frequency by several orders of magnitude for this system. On the other hand, our approximations, while more computationally intense than the traditional mean-field treatment, still achieve tremendous computational savings compared to KMC simulations, thereby opening the way for employing them in multiscale modeling frameworks.
Development of highly accurate approximate scheme for computing the charge transfer integral
Energy Technology Data Exchange (ETDEWEB)
Pershin, Anton; Szalay, Péter G. [Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest (Hungary)
2015-08-21
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.
Improved Patient Size Estimates for Accurate Dose Calculations in Abdomen Computed Tomography
Energy Technology Data Exchange (ETDEWEB)
Lee, Chang-Lae [Yonsei University, Wonju (Korea, Republic of)
2017-07-15
The radiation dose of CT (computed tomography) is generally represented by the CTDI (CT dose index). CTDI, however, does not accurately predict the actual patient doses for different human body sizes because it relies on a cylinder-shaped head (diameter : 16 cm) and body (diameter : 32 cm) phantom. The purpose of this study was to eliminate the drawbacks of the conventional CTDI and to provide more accurate radiation dose information. Projection radiographs were obtained from water cylinder phantoms of various sizes, and the sizes of the water cylinder phantoms were calculated and verified using attenuation profiles. The effective diameter was also calculated using the attenuation of the abdominal projection radiographs of 10 patients. When the results of the attenuation-based method and the geometry-based method shown were compared with the results of the reconstructed-axial-CT-image-based method, the effective diameter of the attenuation-based method was found to be similar to the effective diameter of the reconstructed-axial-CT-image-based method, with a difference of less than 3.8%, but the geometry-based method showed a difference of less than 11.4%. This paper proposes a new method of accurately computing the radiation dose of CT based on the patient sizes. This method computes and provides the exact patient dose before the CT scan, and can therefore be effectively used for imaging and dose control.
An Accurate liver segmentation method using parallel computing algorithm
International Nuclear Information System (INIS)
Elbasher, Eiman Mohammed Khalied
2014-12-01
Computed Tomography (CT or CAT scan) is a noninvasive diagnostic imaging procedure that uses a combination of X-rays and computer technology to produce horizontal, or axial, images (often called slices) of the body. A CT scan shows detailed images of any part of the body, including the bones muscles, fat and organs CT scans are more detailed than standard x-rays. CT scans may be done with or without "contrast Contrast refers to a substance taken by mouth and/ or injected into an intravenous (IV) line that causes the particular organ or tissue under study to be seen more clearly. CT scan of the liver and biliary tract are used in the diagnosis of many diseases in the abdomen structures, particularly when another type of examination, such as X-rays, physical examination, and ultra sound is not conclusive. Unfortunately, the presence of noise and artifact in the edges and fine details in the CT images limit the contrast resolution and make diagnostic procedure more difficult. This experimental study was conducted at the College of Medical Radiological Science, Sudan University of Science and Technology and Fidel Specialist Hospital. The sample of study was included 50 patients. The main objective of this research was to study an accurate liver segmentation method using a parallel computing algorithm, and to segment liver and adjacent organs using image processing technique. The main technique of segmentation used in this study was watershed transform. The scope of image processing and analysis applied to medical application is to improve the quality of the acquired image and extract quantitative information from medical image data in an efficient and accurate way. The results of this technique agreed wit the results of Jarritt et al, (2010), Kratchwil et al, (2010), Jover et al, (2011), Yomamoto et al, (1996), Cai et al (1999), Saudha and Jayashree (2010) who used different segmentation filtering based on the methods of enhancing the computed tomography images. Anther
An Accurate and Dynamic Computer Graphics Muscle Model
Levine, David Asher
1997-01-01
A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.
A method for accurate computation of elastic and discrete inelastic scattering transfer matrix
International Nuclear Information System (INIS)
Garcia, R.D.M.; Santina, M.D.
1986-05-01
A method for accurate computation of elastic and discrete inelastic scattering transfer matrices is discussed. In particular, a partition scheme for the source energy range that avoids integration over intervals containing points where the integrand has discontinuous derivative is developed. Five-figure accurate numerical results are obtained for several test problems with the TRAMA program which incorporates the porposed method. A comparison with numerical results from existing processing codes is also presented. (author) [pt
Error characterization for asynchronous computations: Proxy equation approach
Sallai, Gabriella; Mittal, Ankita; Girimaji, Sharath
2017-11-01
Numerical techniques for asynchronous fluid flow simulations are currently under development to enable efficient utilization of massively parallel computers. These numerical approaches attempt to accurately solve time evolution of transport equations using spatial information at different time levels. The truncation error of asynchronous methods can be divided into two parts: delay dependent (EA) or asynchronous error and delay independent (ES) or synchronous error. The focus of this study is a specific asynchronous error mitigation technique called proxy-equation approach. The aim of this study is to examine these errors as a function of the characteristic wavelength of the solution. Mitigation of asynchronous effects requires that the asynchronous error be smaller than synchronous truncation error. For a simple convection-diffusion equation, proxy-equation error analysis identifies critical initial wave-number, λc. At smaller wave numbers, synchronous error are larger than asynchronous errors. We examine various approaches to increase the value of λc in order to improve the range of applicability of proxy-equation approach.
Fast and Accurate Computation of Gauss--Legendre and Gauss--Jacobi Quadrature Nodes and Weights
Hale, Nicholas; Townsend, Alex
2013-01-01
An efficient algorithm for the accurate computation of Gauss-Legendre and Gauss-Jacobi quadrature nodes and weights is presented. The algorithm is based on Newton's root-finding method with initial guesses and function evaluations computed via asymptotic formulae. The n-point quadrature rule is computed in O(n) operations to an accuracy of essentially double precision for any n ≥ 100. © 2013 Society for Industrial and Applied Mathematics.
Fast and Accurate Computation of Gauss--Legendre and Gauss--Jacobi Quadrature Nodes and Weights
Hale, Nicholas
2013-03-06
An efficient algorithm for the accurate computation of Gauss-Legendre and Gauss-Jacobi quadrature nodes and weights is presented. The algorithm is based on Newton\\'s root-finding method with initial guesses and function evaluations computed via asymptotic formulae. The n-point quadrature rule is computed in O(n) operations to an accuracy of essentially double precision for any n ≥ 100. © 2013 Society for Industrial and Applied Mathematics.
General approach for accurate resonance analysis in transformer windings
Popov, M.
2018-01-01
In this paper, resonance effects in transformer windings are thoroughly investigated and analyzed. The resonance is determined by making use of an accurate approach based on the application of the impedance matrix of a transformer winding. The method is validated by a test coil and the numerical
Accurate Bit Error Rate Calculation for Asynchronous Chaos-Based DS-CDMA over Multipath Channel
Kaddoum, Georges; Roviras, Daniel; Chargé, Pascal; Fournier-Prunaret, Daniele
2009-12-01
An accurate approach to compute the bit error rate expression for multiuser chaosbased DS-CDMA system is presented in this paper. For more realistic communication system a slow fading multipath channel is considered. A simple RAKE receiver structure is considered. Based on the bit energy distribution, this approach compared to others computation methods existing in literature gives accurate results with low computation charge. Perfect estimation of the channel coefficients with the associated delays and chaos synchronization is assumed. The bit error rate is derived in terms of the bit energy distribution, the number of paths, the noise variance, and the number of users. Results are illustrated by theoretical calculations and numerical simulations which point out the accuracy of our approach.
Defect correction and multigrid for an efficient and accurate computation of airfoil flows
Koren, B.
1988-01-01
Results are presented for an efficient solution method for second-order accurate discretizations of the 2D steady Euler equations. The solution method is based on iterative defect correction. Several schemes are considered for the computation of the second-order defect. In each defect correction
Accurate Assessment of Computed Order Tracking
Directory of Open Access Journals (Sweden)
P.N. Saavedra
2006-01-01
Full Text Available Spectral vibration analysis using the Fourier transform is the most common technique for evaluating the mechanical condition of machinery working in stationary regimen. However, machinery operating in transient modes, such as variable speed equipment, generates spectra with distinct frequency content at each time, and the standard approach is not directly applicable for diagnostic. The "order tracking" technique is a suitable tool for analyzing variable speed machines. We have studied the computed order tracking (COT, and a new computed procedure is proposed for solving the indeterminate results generated by the traditional method at constant speed. The effect on the accuracy of the assumptions inherent in the COT was assessed using data from various simulations. The use of these simulations allowed us to determine the effect on the overall true accuracy of the method of different user-defined factors: the signal and tachometric pulse sampling frequency, the method of amplitude interpolation, and the number of tachometric pulses per revolution. Tests on real data measured on the main transmissions of a mining shovel were carried out, and we concluded that the new method is appropriate for the condition monitoring of this type of machine.
Vereecken, Carine; Dohogne, Sophie; Covents, Marc; Maes, Lea
2010-01-01
Computer-administered questionnaires have received increased attention for large-scale population research on nutrition. In Belgium-Flanders, Young Adolescents' Nutrition Assessment on Computer (YANA-C) has been developed. In this tool, standardised photographs are available to assist in portion-size estimation. The purpose of the present study is to assess how accurate adolescents are in estimating portion sizes of food using YANA-C. A convenience sample, aged 11-17 years, estimated the amou...
Fast and accurate algorithm for the computation of complex linear canonical transforms.
Koç, Aykut; Ozaktas, Haldun M; Hesselink, Lambertus
2010-09-01
A fast and accurate algorithm is developed for the numerical computation of the family of complex linear canonical transforms (CLCTs), which represent the input-output relationship of complex quadratic-phase systems. Allowing the linear canonical transform parameters to be complex numbers makes it possible to represent paraxial optical systems that involve complex parameters. These include lossy systems such as Gaussian apertures, Gaussian ducts, or complex graded-index media, as well as lossless thin lenses and sections of free space and any arbitrary combinations of them. Complex-ordered fractional Fourier transforms (CFRTs) are a special case of CLCTs, and therefore a fast and accurate algorithm to compute CFRTs is included as a special case of the presented algorithm. The algorithm is based on decomposition of an arbitrary CLCT matrix into real and complex chirp multiplications and Fourier transforms. The samples of the output are obtained from the samples of the input in approximately N log N time, where N is the number of input samples. A space-bandwidth product tracking formalism is developed to ensure that the number of samples is information-theoretically sufficient to reconstruct the continuous transform, but not unnecessarily redundant.
International Nuclear Information System (INIS)
Ma, Duancheng; Friák, Martin; Pezold, Johann von; Raabe, Dierk; Neugebauer, Jörg
2015-01-01
We propose an approach for the computationally efficient and quantitatively accurate prediction of solid-solution strengthening. It combines the 2-D Peierls–Nabarro model and a recently developed solid-solution strengthening model. Solid-solution strengthening is examined with Al–Mg and Al–Li as representative alloy systems, demonstrating a good agreement between theory and experiments within the temperature range in which the dislocation motion is overdamped. Through a parametric study, two guideline maps of the misfit parameters against (i) the critical resolved shear stress, τ 0 , at 0 K and (ii) the energy barrier, ΔE b , against dislocation motion in a solid solution with randomly distributed solute atoms are created. With these two guideline maps, τ 0 at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement
Accurate evaluation of exchange fields in finite element micromagnetic solvers
Chang, R.; Escobar, M. A.; Li, S.; Lubarda, M. V.; Lomakin, V.
2012-04-01
Quadratic basis functions (QBFs) are implemented for solving the Landau-Lifshitz-Gilbert equation via the finite element method. This involves the introduction of a set of special testing functions compatible with the QBFs for evaluating the Laplacian operator. The results by using QBFs are significantly more accurate than those via linear basis functions. QBF approach leads to significantly more accurate results than conventionally used approaches based on linear basis functions. Importantly QBFs allow reducing the error of computing the exchange field by increasing the mesh density for structured and unstructured meshes. Numerical examples demonstrate the feasibility of the method.
International Nuclear Information System (INIS)
Jain, P.C.
1985-12-01
The monthly average daily values of the extraterrestrial irradiation on a horizontal plane and the maximum possible sunshine duration are two important parameters that are frequently needed in various solar energy applications. These are generally calculated by solar scientists and engineers each time they are needed and often by using the approximate short-cut methods. Using the accurate analytical expressions developed by Spencer for the declination and the eccentricity correction factor, computations for these parameters have been made for all the latitude values from 90 deg. N to 90 deg. S at intervals of 1 deg. and are presented in a convenient tabular form. Monthly average daily values of the maximum possible sunshine duration as recorded on a Campbell Stoke's sunshine recorder are also computed and presented. These tables would avoid the need for repetitive and approximate calculations and serve as a useful ready reference for providing accurate values to the solar energy scientists and engineers
Fuzzy multiple linear regression: A computational approach
Juang, C. H.; Huang, X. H.; Fleming, J. W.
1992-01-01
This paper presents a new computational approach for performing fuzzy regression. In contrast to Bardossy's approach, the new approach, while dealing with fuzzy variables, closely follows the conventional regression technique. In this approach, treatment of fuzzy input is more 'computational' than 'symbolic.' The following sections first outline the formulation of the new approach, then deal with the implementation and computational scheme, and this is followed by examples to illustrate the new procedure.
Ahmed, Ahfaz
2015-03-01
Gasoline is the most widely used fuel for light duty automobile transportation, but its molecular complexity makes it intractable to experimentally and computationally study the fundamental combustion properties. Therefore, surrogate fuels with a simpler molecular composition that represent real fuel behavior in one or more aspects are needed to enable repeatable experimental and computational combustion investigations. This study presents a novel computational methodology for formulating surrogates for FACE (fuels for advanced combustion engines) gasolines A and C by combining regression modeling with physical and chemical kinetics simulations. The computational methodology integrates simulation tools executed across different software platforms. Initially, the palette of surrogate species and carbon types for the target fuels were determined from a detailed hydrocarbon analysis (DHA). A regression algorithm implemented in MATLAB was linked to REFPROP for simulation of distillation curves and calculation of physical properties of surrogate compositions. The MATLAB code generates a surrogate composition at each iteration, which is then used to automatically generate CHEMKIN input files that are submitted to homogeneous batch reactor simulations for prediction of research octane number (RON). The regression algorithm determines the optimal surrogate composition to match the fuel properties of FACE A and C gasoline, specifically hydrogen/carbon (H/C) ratio, density, distillation characteristics, carbon types, and RON. The optimal surrogate fuel compositions obtained using the present computational approach was compared to the real fuel properties, as well as with surrogate compositions available in the literature. Experiments were conducted within a Cooperative Fuels Research (CFR) engine operating under controlled autoignition (CAI) mode to compare the formulated surrogates against the real fuels. Carbon monoxide measurements indicated that the proposed surrogates
A new approach to determine accurately minority-carrier lifetime
International Nuclear Information System (INIS)
Idali Oumhand, M.; Mir, Y.; Zazoui, M.
2009-01-01
Electron or proton irradiations introduce recombination centers, which tend to affect solar cell parameters by reducing the minority-carrier lifetime (MCLT). Because this MCLT plays a fundamental role in the performance degradation of solar cells, in this work we present a new approach that allows us to get accurate values of MCLT. The relationship between MCLT in p-region and n-region both before and after irradiation has been determined by the new method. The validity and accuracy of this approach are justified by the fact that the degradation parameters that fit the experimental data are the same for both short-circuit current and the open-circuit voltages. This method is applied to the p + /n-InGaP solar cell under 1 MeV electron irradiation
Directory of Open Access Journals (Sweden)
Corrado Lodovico Galli
Full Text Available Our research is aimed at devising and assessing a computational approach to evaluate the affinity of endocrine active substances (EASs and their metabolites towards the ligand binding domain (LBD of the androgen receptor (AR in three distantly related species: human, rat, and zebrafish. We computed the affinity for all the selected molecules following a computational approach based on molecular modelling and docking. Three different classes of molecules with well-known endocrine activity (iprodione, procymidone, vinclozolin, and a selection of their metabolites were evaluated. Our approach was demonstrated useful as the first step of chemical safety evaluation since ligand-target interaction is a necessary condition for exerting any biological effect. Moreover, a different sensitivity concerning AR LBD was computed for the tested species (rat being the least sensitive of the three. This evidence suggests that, in order not to over-/under-estimate the risks connected with the use of a chemical entity, further in vitro and/or in vivo tests should be carried out only after an accurate evaluation of the most suitable cellular system or animal species. The introduction of in silico approaches to evaluate hazard can accelerate discovery and innovation with a lower economic effort than with a fully wet strategy.
Galli, Corrado Lodovico; Sensi, Cristina; Fumagalli, Amos; Parravicini, Chiara; Marinovich, Marina; Eberini, Ivano
2014-01-01
Our research is aimed at devising and assessing a computational approach to evaluate the affinity of endocrine active substances (EASs) and their metabolites towards the ligand binding domain (LBD) of the androgen receptor (AR) in three distantly related species: human, rat, and zebrafish. We computed the affinity for all the selected molecules following a computational approach based on molecular modelling and docking. Three different classes of molecules with well-known endocrine activity (iprodione, procymidone, vinclozolin, and a selection of their metabolites) were evaluated. Our approach was demonstrated useful as the first step of chemical safety evaluation since ligand-target interaction is a necessary condition for exerting any biological effect. Moreover, a different sensitivity concerning AR LBD was computed for the tested species (rat being the least sensitive of the three). This evidence suggests that, in order not to over-/under-estimate the risks connected with the use of a chemical entity, further in vitro and/or in vivo tests should be carried out only after an accurate evaluation of the most suitable cellular system or animal species. The introduction of in silico approaches to evaluate hazard can accelerate discovery and innovation with a lower economic effort than with a fully wet strategy.
MOBILE CLOUD COMPUTING APPLIED TO HEALTHCARE APPROACH
Omar AlSheikSalem
2016-01-01
In the past few years it was clear that mobile cloud computing was established via integrating both mobile computing and cloud computing to be add in both storage space and processing speed. Integrating healthcare applications and services is one of the vast data approaches that can be adapted to mobile cloud computing. This work proposes a framework of a global healthcare computing based combining both mobile computing and cloud computing. This approach leads to integrate all of ...
Masso, Majid; Vaisman, Iosif I
2008-09-15
Accurate predictive models for the impact of single amino acid substitutions on protein stability provide insight into protein structure and function. Such models are also valuable for the design and engineering of new proteins. Previously described methods have utilized properties of protein sequence or structure to predict the free energy change of mutants due to thermal (DeltaDeltaG) and denaturant (DeltaDeltaG(H2O)) denaturations, as well as mutant thermal stability (DeltaT(m)), through the application of either computational energy-based approaches or machine learning techniques. However, accuracy associated with applying these methods separately is frequently far from optimal. We detail a computational mutagenesis technique based on a four-body, knowledge-based, statistical contact potential. For any mutation due to a single amino acid replacement in a protein, the method provides an empirical normalized measure of the ensuing environmental perturbation occurring at every residue position. A feature vector is generated for the mutant by considering perturbations at the mutated position and it's ordered six nearest neighbors in the 3-dimensional (3D) protein structure. These predictors of stability change are evaluated by applying machine learning tools to large training sets of mutants derived from diverse proteins that have been experimentally studied and described. Predictive models based on our combined approach are either comparable to, or in many cases significantly outperform, previously published results. A web server with supporting documentation is available at http://proteins.gmu.edu/automute.
International Nuclear Information System (INIS)
Buchmayr, M.; Gruber, J.; Hargassner, M.; Hochenauer, C.
2016-01-01
Highlights: • Time efficient CFD model to predict biomass boiler performance. • Boundary conditions for numerical modeling are provided by measurements. • Tars in the product from primary combustion was considered. • Simulation results were validated by experiments on a real-scale reactor. • Very good accordance between experimental and simulation results. - Abstract: Computational Fluid Dynamics (CFD) is an upcoming technique for optimization and as a part of the design process of biomass combustion systems. An accurate simulation of biomass combustion can only be provided with high computational effort so far. This work presents an accurate, time efficient CFD approach for small-scale biomass combustion systems equipped with enhanced air staging. The model can handle the high amount of biomass tars in the primary combustion product at very low primary air ratios. Gas-phase combustion in the freeboard was performed by the Steady Flamelet Model (SFM) together with a detailed heptane combustion mechanism. The advantage of the SFM is that complex combustion chemistry can be taken into account at low computational effort because only two additional transport equations have to be solved to describe the chemistry in the reacting flow. Boundary conditions for primary combustion product composition were obtained from the fuel bed by experiments. The fuel bed data were used as fuel inlet boundary condition for the gas-phase combustion model. The numerical and experimental investigations were performed for different operating conditions and varying wood-chip moisture on a special designed real-scale reactor. The numerical predictions were validated with experimental results and a very good agreement was found. With the presented approach accurate results can be provided within 24 h using a standard Central Processing Unit (CPU) consisting of six cores. Case studies e.g. for combustion geometry improvement can be realized effectively due to the short calculation
DEFF Research Database (Denmark)
Kepp, Kasper Planeta; Ooi, Bee Lean; Christensen, Hans Erik Mølager
2007-01-01
This work describes the computation and accurate reproduction of subtle shifts in reduction potentials for two mutants of the iron-sulfur protein Pyrococcus furiosus ferredoxin. The computational models involved only first-sphere ligands and differed with respect to one ligand, either acetate (as...
A novel fast and accurate pseudo-analytical simulation approach for MOAO
Gendron, É .; Charara, Ali; Abdelfattah, Ahmad; Gratadour, D.; Keyes, David E.; Ltaief, Hatem; Morel, C.; Vidal, F.; Sevin, A.; Rousset, G.
2014-01-01
Multi-object adaptive optics (MOAO) is a novel adaptive optics (AO) technique for wide-field multi-object spectrographs (MOS). MOAO aims at applying dedicated wavefront corrections to numerous separated tiny patches spread over a large field of view (FOV), limited only by that of the telescope. The control of each deformable mirror (DM) is done individually using a tomographic reconstruction of the phase based on measurements from a number of wavefront sensors (WFS) pointing at natural and artificial guide stars in the field. We have developed a novel hybrid, pseudo-analytical simulation scheme, somewhere in between the end-to- end and purely analytical approaches, that allows us to simulate in detail the tomographic problem as well as noise and aliasing with a high fidelity, and including fitting and bandwidth errors thanks to a Fourier-based code. Our tomographic approach is based on the computation of the minimum mean square error (MMSE) reconstructor, from which we derive numerically the covariance matrix of the tomographic error, including aliasing and propagated noise. We are then able to simulate the point-spread function (PSF) associated to this covariance matrix of the residuals, like in PSF reconstruction algorithms. The advantage of our approach is that we compute the same tomographic reconstructor that would be computed when operating the real instrument, so that our developments open the way for a future on-sky implementation of the tomographic control, plus the joint PSF and performance estimation. The main challenge resides in the computation of the tomographic reconstructor which involves the inversion of a large matrix (typically 40 000 × 40 000 elements). To perform this computation efficiently, we chose an optimized approach based on the use of GPUs as accelerators and using an optimized linear algebra library: MORSE providing a significant speedup against standard CPU oriented libraries such as Intel MKL. Because the covariance matrix is
A novel fast and accurate pseudo-analytical simulation approach for MOAO
Gendron, É.
2014-08-04
Multi-object adaptive optics (MOAO) is a novel adaptive optics (AO) technique for wide-field multi-object spectrographs (MOS). MOAO aims at applying dedicated wavefront corrections to numerous separated tiny patches spread over a large field of view (FOV), limited only by that of the telescope. The control of each deformable mirror (DM) is done individually using a tomographic reconstruction of the phase based on measurements from a number of wavefront sensors (WFS) pointing at natural and artificial guide stars in the field. We have developed a novel hybrid, pseudo-analytical simulation scheme, somewhere in between the end-to- end and purely analytical approaches, that allows us to simulate in detail the tomographic problem as well as noise and aliasing with a high fidelity, and including fitting and bandwidth errors thanks to a Fourier-based code. Our tomographic approach is based on the computation of the minimum mean square error (MMSE) reconstructor, from which we derive numerically the covariance matrix of the tomographic error, including aliasing and propagated noise. We are then able to simulate the point-spread function (PSF) associated to this covariance matrix of the residuals, like in PSF reconstruction algorithms. The advantage of our approach is that we compute the same tomographic reconstructor that would be computed when operating the real instrument, so that our developments open the way for a future on-sky implementation of the tomographic control, plus the joint PSF and performance estimation. The main challenge resides in the computation of the tomographic reconstructor which involves the inversion of a large matrix (typically 40 000 × 40 000 elements). To perform this computation efficiently, we chose an optimized approach based on the use of GPUs as accelerators and using an optimized linear algebra library: MORSE providing a significant speedup against standard CPU oriented libraries such as Intel MKL. Because the covariance matrix is
What is computation : An epistemic approach
Wiedermann, Jiří; van Leeuwen, Jan
2015-01-01
Traditionally, computations are seen as processes that transform information. Definitions of computation subsequently concentrate on a description of the mechanisms that lead to such processes. The bottleneck of this approach is twofold. First, it leads to a definition of computation that is too
Cognitive Approaches for Medicine in Cloud Computing.
Ogiela, Urszula; Takizawa, Makoto; Ogiela, Lidia
2018-03-03
This paper will present the application potential of the cognitive approach to data interpretation, with special reference to medical areas. The possibilities of using the meaning approach to data description and analysis will be proposed for data analysis tasks in Cloud Computing. The methods of cognitive data management in Cloud Computing are aimed to support the processes of protecting data against unauthorised takeover and they serve to enhance the data management processes. The accomplishment of the proposed tasks will be the definition of algorithms for the execution of meaning data interpretation processes in safe Cloud Computing. • We proposed a cognitive methods for data description. • Proposed a techniques for secure data in Cloud Computing. • Application of cognitive approaches for medicine was described.
Directory of Open Access Journals (Sweden)
Simon Boitard
2016-03-01
Full Text Available Inferring the ancestral dynamics of effective population size is a long-standing question in population genetics, which can now be tackled much more accurately thanks to the massive genomic data available in many species. Several promising methods that take advantage of whole-genome sequences have been recently developed in this context. However, they can only be applied to rather small samples, which limits their ability to estimate recent population size history. Besides, they can be very sensitive to sequencing or phasing errors. Here we introduce a new approximate Bayesian computation approach named PopSizeABC that allows estimating the evolution of the effective population size through time, using a large sample of complete genomes. This sample is summarized using the folded allele frequency spectrum and the average zygotic linkage disequilibrium at different bins of physical distance, two classes of statistics that are widely used in population genetics and can be easily computed from unphased and unpolarized SNP data. Our approach provides accurate estimations of past population sizes, from the very first generations before present back to the expected time to the most recent common ancestor of the sample, as shown by simulations under a wide range of demographic scenarios. When applied to samples of 15 or 25 complete genomes in four cattle breeds (Angus, Fleckvieh, Holstein and Jersey, PopSizeABC revealed a series of population declines, related to historical events such as domestication or modern breed creation. We further highlight that our approach is robust to sequencing errors, provided summary statistics are computed from SNPs with common alleles.
Accurate and efficient calculation of response times for groundwater flow
Carr, Elliot J.; Simpson, Matthew J.
2018-03-01
We study measures of the amount of time required for transient flow in heterogeneous porous media to effectively reach steady state, also known as the response time. Here, we develop a new approach that extends the concept of mean action time. Previous applications of the theory of mean action time to estimate the response time use the first two central moments of the probability density function associated with the transition from the initial condition, at t = 0, to the steady state condition that arises in the long time limit, as t → ∞ . This previous approach leads to a computationally convenient estimation of the response time, but the accuracy can be poor. Here, we outline a powerful extension using the first k raw moments, showing how to produce an extremely accurate estimate by making use of asymptotic properties of the cumulative distribution function. Results are validated using an existing laboratory-scale data set describing flow in a homogeneous porous medium. In addition, we demonstrate how the results also apply to flow in heterogeneous porous media. Overall, the new method is: (i) extremely accurate; and (ii) computationally inexpensive. In fact, the computational cost of the new method is orders of magnitude less than the computational effort required to study the response time by solving the transient flow equation. Furthermore, the approach provides a rigorous mathematical connection with the heuristic argument that the response time for flow in a homogeneous porous medium is proportional to L2 / D , where L is a relevant length scale, and D is the aquifer diffusivity. Here, we extend such heuristic arguments by providing a clear mathematical definition of the proportionality constant.
Computational approaches to energy materials
Catlow, Richard; Walsh, Aron
2013-01-01
The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the
Esque, Jeremy; Cecchini, Marco
2015-04-23
The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years. Here, we present an improvement of the confinement method that was designed for use in the context of explicit solvent MD simulations. The development involves an additional step in which the solvation free energy of the harmonically restrained conformers is accurately determined by multistage free energy perturbation simulations. As a test-case application, the newly introduced confinement/solvation free energy (CSF) approach was used to compute differences in free energy between conformers of the alanine dipeptide in explicit water. The results are in excellent agreement with reference calculations based on both converged molecular dynamics and umbrella sampling. To illustrate the general applicability of the method, conformational equilibria of met-enkephalin (5 aa) and deca-alanine (10 aa) in solution were also analyzed. In both cases, smoothly converged free-energy results were obtained in agreement with equilibrium sampling or literature calculations. These results demonstrate that the CSF method may provide conformational free-energy differences of biomolecules with small statistical errors (below 0.5 kcal/mol) and at a moderate computational cost even with a full representation of the solvent.
Computer networking a top-down approach
Kurose, James
2017-01-01
Unique among computer networking texts, the Seventh Edition of the popular Computer Networking: A Top Down Approach builds on the author’s long tradition of teaching this complex subject through a layered approach in a “top-down manner.” The text works its way from the application layer down toward the physical layer, motivating readers by exposing them to important concepts early in their study of networking. Focusing on the Internet and the fundamentally important issues of networking, this text provides an excellent foundation for readers interested in computer science and electrical engineering, without requiring extensive knowledge of programming or mathematics. The Seventh Edition has been updated to reflect the most important and exciting recent advances in networking.
Cloud computing methods and practical approaches
Mahmood, Zaigham
2013-01-01
This book presents both state-of-the-art research developments and practical guidance on approaches, technologies and frameworks for the emerging cloud paradigm. Topics and features: presents the state of the art in cloud technologies, infrastructures, and service delivery and deployment models; discusses relevant theoretical frameworks, practical approaches and suggested methodologies; offers guidance and best practices for the development of cloud-based services and infrastructures, and examines management aspects of cloud computing; reviews consumer perspectives on mobile cloud computing an
Pan, Bing; Wang, Bo
2017-10-01
Digital volume correlation (DVC) is a powerful technique for quantifying interior deformation within solid opaque materials and biological tissues. In the last two decades, great efforts have been made to improve the accuracy and efficiency of the DVC algorithm. However, there is still a lack of a flexible, robust and accurate version that can be efficiently implemented in personal computers with limited RAM. This paper proposes an advanced DVC method that can realize accurate full-field internal deformation measurement applicable to high-resolution volume images with up to billions of voxels. Specifically, a novel layer-wise reliability-guided displacement tracking strategy combined with dynamic data management is presented to guide the DVC computation from slice to slice. The displacements at specified calculation points in each layer are computed using the advanced 3D inverse-compositional Gauss-Newton algorithm with the complete initial guess of the deformation vector accurately predicted from the computed calculation points. Since only limited slices of interest in the reference and deformed volume images rather than the whole volume images are required, the DVC calculation can thus be efficiently implemented on personal computers. The flexibility, accuracy and efficiency of the presented DVC approach are demonstrated by analyzing computer-simulated and experimentally obtained high-resolution volume images.
International Nuclear Information System (INIS)
Ko, Soon Heum; Kim, Na Yong; Nikitopoulos, Dimitris E.; Moldovan, Dorel; Jha, Shantenu
2014-01-01
Numerical approaches are presented to minimize the statistical errors inherently present due to finite sampling and the presence of thermal fluctuations in the molecular region of a hybrid computational fluid dynamics (CFD) - molecular dynamics (MD) flow solution. Near the fluid-solid interface the hybrid CFD-MD simulation approach provides a more accurate solution, especially in the presence of significant molecular-level phenomena, than the traditional continuum-based simulation techniques. It also involves less computational cost than the pure particle-based MD. Despite these advantages the hybrid CFD-MD methodology has been applied mostly in flow studies at high velocities, mainly because of the higher statistical errors associated with low velocities. As an alternative to the costly increase of the size of the MD region to decrease statistical errors, we investigate a few numerical approaches that reduce sampling noise of the solution at moderate-velocities. These methods are based on sampling of multiple simulation replicas and linear regression of multiple spatial/temporal samples. We discuss the advantages and disadvantages of each technique in the perspective of solution accuracy and computational cost.
Funnel metadynamics as accurate binding free-energy method
Limongelli, Vittorio; Bonomi, Massimiliano; Parrinello, Michele
2013-01-01
A detailed description of the events ruling ligand/protein interaction and an accurate estimation of the drug affinity to its target is of great help in speeding drug discovery strategies. We have developed a metadynamics-based approach, named funnel metadynamics, that allows the ligand to enhance the sampling of the target binding sites and its solvated states. This method leads to an efficient characterization of the binding free-energy surface and an accurate calculation of the absolute protein–ligand binding free energy. We illustrate our protocol in two systems, benzamidine/trypsin and SC-558/cyclooxygenase 2. In both cases, the X-ray conformation has been found as the lowest free-energy pose, and the computed protein–ligand binding free energy in good agreement with experiments. Furthermore, funnel metadynamics unveils important information about the binding process, such as the presence of alternative binding modes and the role of waters. The results achieved at an affordable computational cost make funnel metadynamics a valuable method for drug discovery and for dealing with a variety of problems in chemistry, physics, and material science. PMID:23553839
A programming approach to computability
Kfoury, A J; Arbib, Michael A
1982-01-01
Computability theory is at the heart of theoretical computer science. Yet, ironically, many of its basic results were discovered by mathematical logicians prior to the development of the first stored-program computer. As a result, many texts on computability theory strike today's computer science students as far removed from their concerns. To remedy this, we base our approach to computability on the language of while-programs, a lean subset of PASCAL, and postpone consideration of such classic models as Turing machines, string-rewriting systems, and p. -recursive functions till the final chapter. Moreover, we balance the presentation of un solvability results such as the unsolvability of the Halting Problem with a presentation of the positive results of modern programming methodology, including the use of proof rules, and the denotational semantics of programs. Computer science seeks to provide a scientific basis for the study of information processing, the solution of problems by algorithms, and the design ...
Cloud computing approaches for prediction of ligand binding poses and pathways.
Lawrenz, Morgan; Shukla, Diwakar; Pande, Vijay S
2015-01-22
We describe an innovative protocol for ab initio prediction of ligand crystallographic binding poses and highly effective analysis of large datasets generated for protein-ligand dynamics. We include a procedure for setup and performance of distributed molecular dynamics simulations on cloud computing architectures, a model for efficient analysis of simulation data, and a metric for evaluation of model convergence. We give accurate binding pose predictions for five ligands ranging in affinity from 7 nM to > 200 μM for the immunophilin protein FKBP12, for expedited results in cases where experimental structures are difficult to produce. Our approach goes beyond single, low energy ligand poses to give quantitative kinetic information that can inform protein engineering and ligand design.
Computer architecture a quantitative approach
Hennessy, John L
2019-01-01
Computer Architecture: A Quantitative Approach, Sixth Edition has been considered essential reading by instructors, students and practitioners of computer design for over 20 years. The sixth edition of this classic textbook is fully revised with the latest developments in processor and system architecture. It now features examples from the RISC-V (RISC Five) instruction set architecture, a modern RISC instruction set developed and designed to be a free and openly adoptable standard. It also includes a new chapter on domain-specific architectures and an updated chapter on warehouse-scale computing that features the first public information on Google's newest WSC. True to its original mission of demystifying computer architecture, this edition continues the longstanding tradition of focusing on areas where the most exciting computing innovation is happening, while always keeping an emphasis on good engineering design.
An Integrative Approach to Accurate Vehicle Logo Detection
Directory of Open Access Journals (Sweden)
Hao Pan
2013-01-01
required for many applications in intelligent transportation systems and automatic surveillance. The task is challenging considering the small target of logos and the wide range of variability in shape, color, and illumination. A fast and reliable vehicle logo detection approach is proposed following visual attention mechanism from the human vision. Two prelogo detection steps, that is, vehicle region detection and a small RoI segmentation, rapidly focalize a small logo target. An enhanced Adaboost algorithm, together with two types of features of Haar and HOG, is proposed to detect vehicles. An RoI that covers logos is segmented based on our prior knowledge about the logos’ position relative to license plates, which can be accurately localized from frontal vehicle images. A two-stage cascade classier proceeds with the segmented RoI, using a hybrid of Gentle Adaboost and Support Vector Machine (SVM, resulting in precise logo positioning. Extensive experiments were conducted to verify the efficiency of the proposed scheme.
COMPUTER APPROACHES TO WHEAT HIGH-THROUGHPUT PHENOTYPING
Directory of Open Access Journals (Sweden)
Afonnikov D.
2012-08-01
Full Text Available The growing need for rapid and accurate approaches for large-scale assessment of phenotypic characters in plants becomes more and more obvious in the studies looking into relationships between genotype and phenotype. This need is due to the advent of high throughput methods for analysis of genomes. Nowadays, any genetic experiment involves data on thousands and dozens of thousands of plants. Traditional ways of assessing most phenotypic characteristics (those with reliance on the eye, the touch, the ruler are little effective on samples of such sizes. Modern approaches seek to take advantage of automated phenotyping, which warrants a much more rapid data acquisition, higher accuracy of the assessment of phenotypic features, measurement of new parameters of these features and exclusion of human subjectivity from the process. Additionally, automation allows measurement data to be rapidly loaded into computer databases, which reduces data processing time.In this work, we present the WheatPGE information system designed to solve the problem of integration of genotypic and phenotypic data and parameters of the environment, as well as to analyze the relationships between the genotype and phenotype in wheat. The system is used to consolidate miscellaneous data on a plant for storing and processing various morphological traits and genotypes of wheat plants as well as data on various environmental factors. The system is available at www.wheatdb.org. Its potential in genetic experiments has been demonstrated in high-throughput phenotyping of wheat leaf pubescence.
Bayesian Multi-Energy Computed Tomography reconstruction approaches based on decomposition models
International Nuclear Information System (INIS)
Cai, Caifang
2013-01-01
Multi-Energy Computed Tomography (MECT) makes it possible to get multiple fractions of basis materials without segmentation. In medical application, one is the soft-tissue equivalent water fraction and the other is the hard-matter equivalent bone fraction. Practical MECT measurements are usually obtained with polychromatic X-ray beams. Existing reconstruction approaches based on linear forward models without counting the beam poly-chromaticity fail to estimate the correct decomposition fractions and result in Beam-Hardening Artifacts (BHA). The existing BHA correction approaches either need to refer to calibration measurements or suffer from the noise amplification caused by the negative-log pre-processing and the water and bone separation problem. To overcome these problems, statistical DECT reconstruction approaches based on non-linear forward models counting the beam poly-chromaticity show great potential for giving accurate fraction images.This work proposes a full-spectral Bayesian reconstruction approach which allows the reconstruction of high quality fraction images from ordinary polychromatic measurements. This approach is based on a Gaussian noise model with unknown variance assigned directly to the projections without taking negative-log. Referring to Bayesian inferences, the decomposition fractions and observation variance are estimated by using the joint Maximum A Posteriori (MAP) estimation method. Subject to an adaptive prior model assigned to the variance, the joint estimation problem is then simplified into a single estimation problem. It transforms the joint MAP estimation problem into a minimization problem with a non-quadratic cost function. To solve it, the use of a monotone Conjugate Gradient (CG) algorithm with suboptimal descent steps is proposed.The performances of the proposed approach are analyzed with both simulated and experimental data. The results show that the proposed Bayesian approach is robust to noise and materials. It is also
FASTSIM2: a second-order accurate frictional rolling contact algorithm
Vollebregt, E. A. H.; Wilders, P.
2011-01-01
In this paper we consider the frictional (tangential) steady rolling contact problem. We confine ourselves to the simplified theory, instead of using full elastostatic theory, in order to be able to compute results fast, as needed for on-line application in vehicle system dynamics simulation packages. The FASTSIM algorithm is the leading technology in this field and is employed in all dominant railway vehicle system dynamics packages (VSD) in the world. The main contribution of this paper is a new version "FASTSIM2" of the FASTSIM algorithm, which is second-order accurate. This is relevant for VSD, because with the new algorithm 16 times less grid points are required for sufficiently accurate computations of the contact forces. The approach is based on new insights in the characteristics of the rolling contact problem when using the simplified theory, and on taking precise care of the contact conditions in the numerical integration scheme employed.
Simple but accurate GCM-free approach for quantifying anthropogenic climate change
Lovejoy, S.
2014-12-01
We are so used to analysing the climate with the help of giant computer models (GCM's) that it is easy to get the impression that they are indispensable. Yet anthropogenic warming is so large (roughly 0.9oC) that it turns out that it is straightforward to quantify it with more empirically based methodologies that can be readily understood by the layperson. The key is to use the CO2 forcing as a linear surrogate for all the anthropogenic effects from 1880 to the present (implicitly including all effects due to Greenhouse Gases, aerosols and land use changes). To a good approximation, double the economic activity, double the effects. The relationship between the forcing and global mean temperature is extremely linear as can be seen graphically and understood without fancy statistics, [Lovejoy, 2014a] (see the attached figure and http://www.physics.mcgill.ca/~gang/Lovejoy.htm). To an excellent approximation, the deviations from the linear forcing - temperature relation can be interpreted as the natural variability. For example, this direct - yet accurate approach makes it graphically obvious that the "pause" or "hiatus" in the warming since 1998 is simply a natural cooling event that has roughly offset the anthropogenic warming [Lovejoy, 2014b]. Rather than trying to prove that the warming is anthropogenic, with a little extra work (and some nonlinear geophysics theory and pre-industrial multiproxies) we can disprove the competing theory that it is natural. This approach leads to the estimate that the probability of the industrial scale warming being a giant natural fluctuation is ≈0.1%: it can be dismissed. This destroys the last climate skeptic argument - that the models are wrong and the warming is natural. It finally allows for a closure of the debate. In this talk we argue that this new, direct, simple, intuitive approach provides an indispensable tool for communicating - and convincing - the public of both the reality and the amplitude of anthropogenic warming
DEFF Research Database (Denmark)
Blasques, José Pedro Albergaria Amaral; Bitsche, Robert
2015-01-01
This paper proposes a novel, efficient, and accurate framework for fracture analysis of beam structures with longitudinal cracks. The three-dimensional local stress field is determined using a high-fidelity beam model incorporating a finite element based cross section analysis tool. The Virtual...... Crack Closure Technique is used for computation of strain energy release rates. The devised framework was employed for analysis of cracks in beams with different cross section geometries. The results show that the accuracy of the proposed method is comparable to that of conventional three......-dimensional solid finite element models while using only a fraction of the computation time....
An Accurate Estimate of the Free Energy and Phase Diagram of All-DNA Bulk Fluids
Directory of Open Access Journals (Sweden)
Emanuele Locatelli
2018-04-01
Full Text Available We present a numerical study in which large-scale bulk simulations of self-assembled DNA constructs have been carried out with a realistic coarse-grained model. The investigation aims at obtaining a precise, albeit numerically demanding, estimate of the free energy for such systems. We then, in turn, use these accurate results to validate a recently proposed theoretical approach that builds on a liquid-state theory, the Wertheim theory, to compute the phase diagram of all-DNA fluids. This hybrid theoretical/numerical approach, based on the lowest-order virial expansion and on a nearest-neighbor DNA model, can provide, in an undemanding way, a parameter-free thermodynamic description of DNA associating fluids that is in semi-quantitative agreement with experiments. We show that the predictions of the scheme are as accurate as those obtained with more sophisticated methods. We also demonstrate the flexibility of the approach by incorporating non-trivial additional contributions that go beyond the nearest-neighbor model to compute the DNA hybridization free energy.
Computational Thinking and Practice - A Generic Approach to Computing in Danish High Schools
DEFF Research Database (Denmark)
Caspersen, Michael E.; Nowack, Palle
2014-01-01
Internationally, there is a growing awareness on the necessity of providing relevant computing education in schools, particularly high schools. We present a new and generic approach to Computing in Danish High Schools based on a conceptual framework derived from ideas related to computational thi...
Quantum Computing: a Quantum Group Approach
Wang, Zhenghan
2013-01-01
There is compelling theoretical evidence that quantum physics will change the face of information science. Exciting progress has been made during the last two decades towards the building of a large scale quantum computer. A quantum group approach stands out as a promising route to this holy grail, and provides hope that we may have quantum computers in our future.
Machine learning and computer vision approaches for phenotypic profiling.
Grys, Ben T; Lo, Dara S; Sahin, Nil; Kraus, Oren Z; Morris, Quaid; Boone, Charles; Andrews, Brenda J
2017-01-02
With recent advances in high-throughput, automated microscopy, there has been an increased demand for effective computational strategies to analyze large-scale, image-based data. To this end, computer vision approaches have been applied to cell segmentation and feature extraction, whereas machine-learning approaches have been developed to aid in phenotypic classification and clustering of data acquired from biological images. Here, we provide an overview of the commonly used computer vision and machine-learning methods for generating and categorizing phenotypic profiles, highlighting the general biological utility of each approach. © 2017 Grys et al.
Computational fluid dynamics a practical approach
Tu, Jiyuan; Liu, Chaoqun
2018-01-01
Computational Fluid Dynamics: A Practical Approach, Third Edition, is an introduction to CFD fundamentals and commercial CFD software to solve engineering problems. The book is designed for a wide variety of engineering students new to CFD, and for practicing engineers learning CFD for the first time. Combining an appropriate level of mathematical background, worked examples, computer screen shots, and step-by-step processes, this book walks the reader through modeling and computing, as well as interpreting CFD results. This new edition has been updated throughout, with new content and improved figures, examples and problems.
DEFF Research Database (Denmark)
Bogdanov, Andrey; Kavun, Elif Bilge; Tischhauser, Elmar
2012-01-01
An accurate estimation of the success probability and data complexity of linear cryptanalysis is a fundamental question in symmetric cryptography. In this paper, we propose an efficient reconfigurable hardware architecture to compute the success probability and data complexity of Matsui's Algorithm...... block lengths ensures that any empirical observations are not due to differences in statistical behavior for artificially small block lengths. Rather surprisingly, we observed in previous experiments a significant deviation between the theory and practice for Matsui's Algorithm 2 for larger block sizes...
Fractal approach to computer-analytical modelling of tree crown
International Nuclear Information System (INIS)
Berezovskaya, F.S.; Karev, G.P.; Kisliuk, O.F.; Khlebopros, R.G.; Tcelniker, Yu.L.
1993-09-01
In this paper we discuss three approaches to the modeling of a tree crown development. These approaches are experimental (i.e. regressive), theoretical (i.e. analytical) and simulation (i.e. computer) modeling. The common assumption of these is that a tree can be regarded as one of the fractal objects which is the collection of semi-similar objects and combines the properties of two- and three-dimensional bodies. We show that a fractal measure of crown can be used as the link between the mathematical models of crown growth and light propagation through canopy. The computer approach gives the possibility to visualize a crown development and to calibrate the model on experimental data. In the paper different stages of the above-mentioned approaches are described. The experimental data for spruce, the description of computer system for modeling and the variant of computer model are presented. (author). 9 refs, 4 figs
Cao, Xiaofang; Rong, Chunying; Zhong, Aiguo; Lu, Tian; Liu, Shubin
2018-01-15
Molecular acidity is one of the important physiochemical properties of a molecular system, yet its accurate calculation and prediction are still an unresolved problem in the literature. In this work, we propose to make use of the quantities from the information-theoretic (IT) approach in density functional reactivity theory and provide an accurate description of molecular acidity from a completely new perspective. To illustrate our point, five different categories of acidic series, singly and doubly substituted benzoic acids, singly substituted benzenesulfinic acids, benzeneseleninic acids, phenols, and alkyl carboxylic acids, have been thoroughly examined. We show that using IT quantities such as Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy, information gain, Onicescu information energy, and relative Rényi entropy, one is able to simultaneously predict experimental pKa values of these different categories of compounds. Because of the universality of the quantities employed in this work, which are all density dependent, our approach should be general and be applicable to other systems as well. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Numerical Methods for Stochastic Computations A Spectral Method Approach
Xiu, Dongbin
2010-01-01
The first graduate-level textbook to focus on fundamental aspects of numerical methods for stochastic computations, this book describes the class of numerical methods based on generalized polynomial chaos (gPC). These fast, efficient, and accurate methods are an extension of the classical spectral methods of high-dimensional random spaces. Designed to simulate complex systems subject to random inputs, these methods are widely used in many areas of computer science and engineering. The book introduces polynomial approximation theory and probability theory; describes the basic theory of gPC meth
Computing Optimal Stochastic Portfolio Execution Strategies: A Parametric Approach Using Simulations
Moazeni, Somayeh; Coleman, Thomas F.; Li, Yuying
2010-09-01
Computing optimal stochastic portfolio execution strategies under appropriate risk consideration presents great computational challenge. We investigate a parametric approach for computing optimal stochastic strategies using Monte Carlo simulations. This approach allows reduction in computational complexity by computing coefficients for a parametric representation of a stochastic dynamic strategy based on static optimization. Using this technique, constraints can be similarly handled using appropriate penalty functions. We illustrate the proposed approach to minimize the expected execution cost and Conditional Value-at-Risk (CVaR).
Role of Soft Computing Approaches in HealthCare Domain: A Mini Review.
Gambhir, Shalini; Malik, Sanjay Kumar; Kumar, Yugal
2016-12-01
In the present era, soft computing approaches play a vital role in solving the different kinds of problems and provide promising solutions. Due to popularity of soft computing approaches, these approaches have also been applied in healthcare data for effectively diagnosing the diseases and obtaining better results in comparison to traditional approaches. Soft computing approaches have the ability to adapt itself according to problem domain. Another aspect is a good balance between exploration and exploitation processes. These aspects make soft computing approaches more powerful, reliable and efficient. The above mentioned characteristics make the soft computing approaches more suitable and competent for health care data. The first objective of this review paper is to identify the various soft computing approaches which are used for diagnosing and predicting the diseases. Second objective is to identify various diseases for which these approaches are applied. Third objective is to categories the soft computing approaches for clinical support system. In literature, it is found that large number of soft computing approaches have been applied for effectively diagnosing and predicting the diseases from healthcare data. Some of these are particle swarm optimization, genetic algorithm, artificial neural network, support vector machine etc. A detailed discussion on these approaches are presented in literature section. This work summarizes various soft computing approaches used in healthcare domain in last one decade. These approaches are categorized in five different categories based on the methodology, these are classification model based system, expert system, fuzzy and neuro fuzzy system, rule based system and case based system. Lot of techniques are discussed in above mentioned categories and all discussed techniques are summarized in the form of tables also. This work also focuses on accuracy rate of soft computing technique and tabular information is provided for
Computational chemistry at the petascale: Are we there yet?
International Nuclear Information System (INIS)
Apra, E; Harrison, R J; Shelton, W A; Tipparaju, V; Vazquez-Mayagoitia, A
2009-01-01
We have run computational chemistry calculations approaching the Petascale level of performance (∼ 0.5 PFlops). We used the Coupled Cluster CCSD(T) module of the computational chemistry code NWChem to evaluate accurate energetics of water clusters on a 1.4 PFlops Cray XT5 computer.
International Nuclear Information System (INIS)
Ren Xiaoan; Wu Wenquan; Xanthis, Leonidas S.
2011-01-01
Highlights: → New approach for stochastic computations based on polynomial chaos. → Development of dynamically adaptive wavelet multiscale solver using space refinement. → Accurate capture of steep gradients and multiscale features in stochastic problems. → All scales of each random mode are captured on independent grids. → Numerical examples demonstrate the need for different space resolutions per mode. - Abstract: In stochastic computations, or uncertainty quantification methods, the spectral approach based on the polynomial chaos expansion in random space leads to a coupled system of deterministic equations for the coefficients of the expansion. The size of this system increases drastically when the number of independent random variables and/or order of polynomial chaos expansions increases. This is invariably the case for large scale simulations and/or problems involving steep gradients and other multiscale features; such features are variously reflected on each solution component or random/uncertainty mode requiring the development of adaptive methods for their accurate resolution. In this paper we propose a new approach for treating such problems based on a dynamically adaptive wavelet methodology involving space-refinement on physical space that allows all scales of each solution component to be refined independently of the rest. We exemplify this using the convection-diffusion model with random input data and present three numerical examples demonstrating the salient features of the proposed method. Thus we establish a new, elegant and flexible approach for stochastic problems with steep gradients and multiscale features based on polynomial chaos expansions.
Toward exascale computing through neuromorphic approaches.
Energy Technology Data Exchange (ETDEWEB)
James, Conrad D.
2010-09-01
While individual neurons function at relatively low firing rates, naturally-occurring nervous systems not only surpass manmade systems in computing power, but accomplish this feat using relatively little energy. It is asserted that the next major breakthrough in computing power will be achieved through application of neuromorphic approaches that mimic the mechanisms by which neural systems integrate and store massive quantities of data for real-time decision making. The proposed LDRD provides a conceptual foundation for SNL to make unique advances toward exascale computing. First, a team consisting of experts from the HPC, MESA, cognitive and biological sciences and nanotechnology domains will be coordinated to conduct an exercise with the outcome being a concept for applying neuromorphic computing to achieve exascale computing. It is anticipated that this concept will involve innovative extension and integration of SNL capabilities in MicroFab, material sciences, high-performance computing, and modeling and simulation of neural processes/systems.
Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi
2015-02-01
With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.
Computational experiment approach to advanced secondary mathematics curriculum
Abramovich, Sergei
2014-01-01
This book promotes the experimental mathematics approach in the context of secondary mathematics curriculum by exploring mathematical models depending on parameters that were typically considered advanced in the pre-digital education era. This approach, by drawing on the power of computers to perform numerical computations and graphical constructions, stimulates formal learning of mathematics through making sense of a computational experiment. It allows one (in the spirit of Freudenthal) to bridge serious mathematical content and contemporary teaching practice. In other words, the notion of teaching experiment can be extended to include a true mathematical experiment. When used appropriately, the approach creates conditions for collateral learning (in the spirit of Dewey) to occur including the development of skills important for engineering applications of mathematics. In the context of a mathematics teacher education program, this book addresses a call for the preparation of teachers capable of utilizing mo...
Energy Technology Data Exchange (ETDEWEB)
Smith, Jordan Ned; Carver, Zana A.; Weber, Thomas J.; Timchalk, Charles
2017-04-11
A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with non-physiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding was observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the two experimental conditions. In the non-physiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than non-physiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and accurately simulated all transport experiments using different permeability coefficients for the two experimental conditions (1.4 vs 0.4 cm/hr for non-physiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic (PBPK) model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva potentially increasing the utility of salivary biomonitoring in the future.
An Accurate Method for Computing the Absorption of Solar Radiation by Water Vapor
Chou, M. D.
1980-01-01
The method is based upon molecular line parameters and makes use of a far wing scaling approximation and k distribution approach previously applied to the computation of the infrared cooling rate due to water vapor. Taking into account the wave number dependence of the incident solar flux, the solar heating rate is computed for the entire water vapor spectrum and for individual absorption bands. The accuracy of the method is tested against line by line calculations. The method introduces a maximum error of 0.06 C/day. The method has the additional advantage over previous methods in that it can be applied to any portion of the spectral region containing the water vapor bands. The integrated absorptances and line intensities computed from the molecular line parameters were compared with laboratory measurements. The comparison reveals that, among the three different sources, absorptance is the largest for the laboratory measurements.
Convergence Analysis of a Class of Computational Intelligence Approaches
Directory of Open Access Journals (Sweden)
Junfeng Chen
2013-01-01
Full Text Available Computational intelligence approaches is a relatively new interdisciplinary field of research with many promising application areas. Although the computational intelligence approaches have gained huge popularity, it is difficult to analyze the convergence. In this paper, a computational model is built up for a class of computational intelligence approaches represented by the canonical forms of generic algorithms, ant colony optimization, and particle swarm optimization in order to describe the common features of these algorithms. And then, two quantification indices, that is, the variation rate and the progress rate, are defined, respectively, to indicate the variety and the optimality of the solution sets generated in the search process of the model. Moreover, we give four types of probabilistic convergence for the solution set updating sequences, and their relations are discussed. Finally, the sufficient conditions are derived for the almost sure weak convergence and the almost sure strong convergence of the model by introducing the martingale theory into the Markov chain analysis.
Cultural Distance-Aware Service Recommendation Approach in Mobile Edge Computing
Directory of Open Access Journals (Sweden)
Yan Li
2018-01-01
Full Text Available In the era of big data, traditional computing systems and paradigms are not efficient and even difficult to use. For high performance big data processing, mobile edge computing is emerging as a complement framework of cloud computing. In this new computing architecture, services are provided within a close proximity of mobile users by servers at the edge of network. Traditional collaborative filtering recommendation approach only focuses on the similarity extracted from the rating data, which may lead to an inaccuracy expression of user preference. In this paper, we propose a cultural distance-aware service recommendation approach which focuses on not only the similarity but also the local characteristics and preference of users. Our approach employs the cultural distance to express the user preference and combines it with similarity to predict the user ratings and recommend the services with higher rating. In addition, considering the extreme sparsity of the rating data, missing rating prediction based on collaboration filtering is introduced in our approach. The experimental results based on real-world datasets show that our approach outperforms the traditional recommendation approaches in terms of the reliability of recommendation.
Autonomic Closure for Turbulent Flows Using Approximate Bayesian Computation
Doronina, Olga; Christopher, Jason; Hamlington, Peter; Dahm, Werner
2017-11-01
Autonomic closure is a new technique for achieving fully adaptive and physically accurate closure of coarse-grained turbulent flow governing equations, such as those solved in large eddy simulations (LES). Although autonomic closure has been shown in recent a priori tests to more accurately represent unclosed terms than do dynamic versions of traditional LES models, the computational cost of the approach makes it challenging to implement for simulations of practical turbulent flows at realistically high Reynolds numbers. The optimization step used in the approach introduces large matrices that must be inverted and is highly memory intensive. In order to reduce memory requirements, here we propose to use approximate Bayesian computation (ABC) in place of the optimization step, thereby yielding a computationally-efficient implementation of autonomic closure that trades memory-intensive for processor-intensive computations. The latter challenge can be overcome as co-processors such as general purpose graphical processing units become increasingly available on current generation petascale and exascale supercomputers. In this work, we outline the formulation of ABC-enabled autonomic closure and present initial results demonstrating the accuracy and computational cost of the approach.
A Highly Accurate and Efficient Analytical Approach to Bridge Deck Free Vibration Analysis
Directory of Open Access Journals (Sweden)
D.J. Gorman
2000-01-01
Full Text Available The superposition method is employed to obtain an accurate analytical type solution for the free vibration frequencies and mode shapes of multi-span bridge decks. Free edge conditions are imposed on the long edges running in the direction of the deck. Inter-span support is of the simple (knife-edge type. The analysis is valid regardless of the number of spans or their individual lengths. Exact agreement is found when computed results are compared with known eigenvalues for bridge decks with all spans of equal length. Mode shapes and eigenvalues are presented for typical bridge decks of three and four span lengths. In each case torsional and non-torsional modes are studied.
A comparative approach to closed-loop computation.
Roth, E; Sponberg, S; Cowan, N J
2014-04-01
Neural computation is inescapably closed-loop: the nervous system processes sensory signals to shape motor output, and motor output consequently shapes sensory input. Technological advances have enabled neuroscientists to close, open, and alter feedback loops in a wide range of experimental preparations. The experimental capability of manipulating the topology-that is, how information can flow between subsystems-provides new opportunities to understand the mechanisms and computations underlying behavior. These experiments encompass a spectrum of approaches from fully open-loop, restrained preparations to the fully closed-loop character of free behavior. Control theory and system identification provide a clear computational framework for relating these experimental approaches. We describe recent progress and new directions for translating experiments at one level in this spectrum to predictions at another level. Operating across this spectrum can reveal new understanding of how low-level neural mechanisms relate to high-level function during closed-loop behavior. Copyright © 2013 Elsevier Ltd. All rights reserved.
Allele-sharing models: LOD scores and accurate linkage tests.
Kong, A; Cox, N J
1997-11-01
Starting with a test statistic for linkage analysis based on allele sharing, we propose an associated one-parameter model. Under general missing-data patterns, this model allows exact calculation of likelihood ratios and LOD scores and has been implemented by a simple modification of existing software. Most important, accurate linkage tests can be performed. Using an example, we show that some previously suggested approaches to handling less than perfectly informative data can be unacceptably conservative. Situations in which this model may not perform well are discussed, and an alternative model that requires additional computations is suggested.
Spectrally accurate contour dynamics
International Nuclear Information System (INIS)
Van Buskirk, R.D.; Marcus, P.S.
1994-01-01
We present an exponentially accurate boundary integral method for calculation the equilibria and dynamics of piece-wise constant distributions of potential vorticity. The method represents contours of potential vorticity as a spectral sum and solves the Biot-Savart equation for the velocity by spectrally evaluating a desingularized contour integral. We use the technique in both an initial-value code and a newton continuation method. Our methods are tested by comparing the numerical solutions with known analytic results, and it is shown that for the same amount of computational work our spectral methods are more accurate than other contour dynamics methods currently in use
Approaches for the accurate definition of geological time boundaries
Schaltegger, Urs; Baresel, Björn; Ovtcharova, Maria; Goudemand, Nicolas; Bucher, Hugo
2015-04-01
Which strategies lead to the most precise and accurate date of a given geological boundary? Geological units are usually defined by the occurrence of characteristic taxa and hence boundaries between these geological units correspond to dramatic faunal and/or floral turnovers and they are primarily defined using first or last occurrences of index species, or ideally by the separation interval between two consecutive, characteristic associations of fossil taxa. These boundaries need to be defined in a way that enables their worldwide recognition and correlation across different stratigraphic successions, using tools as different as bio-, magneto-, and chemo-stratigraphy, and astrochronology. Sedimentary sequences can be dated in numerical terms by applying high-precision chemical-abrasion, isotope-dilution, thermal-ionization mass spectrometry (CA-ID-TIMS) U-Pb age determination to zircon (ZrSiO4) in intercalated volcanic ashes. But, though volcanic activity is common in geological history, ashes are not necessarily close to the boundary we would like to date precisely and accurately. In addition, U-Pb zircon data sets may be very complex and difficult to interpret in terms of the age of ash deposition. To overcome these difficulties we use a multi-proxy approach we applied to the precise and accurate dating of the Permo-Triassic and Early-Middle Triassic boundaries in South China. a) Dense sampling of ashes across the critical time interval and a sufficiently large number of analysed zircons per ash sample can guarantee the recognition of all system complexities. Geochronological datasets from U-Pb dating of volcanic zircon may indeed combine effects of i) post-crystallization Pb loss from percolation of hydrothermal fluids (even using chemical abrasion), with ii) age dispersion from prolonged residence of earlier crystallized zircon in the magmatic system. As a result, U-Pb dates of individual zircons are both apparently younger and older than the depositional age
Computational Approaches to Nucleic Acid Origami.
Jabbari, Hosna; Aminpour, Maral; Montemagno, Carlo
2015-10-12
Recent advances in experimental DNA origami have dramatically expanded the horizon of DNA nanotechnology. Complex 3D suprastructures have been designed and developed using DNA origami with applications in biomaterial science, nanomedicine, nanorobotics, and molecular computation. Ribonucleic acid (RNA) origami has recently been realized as a new approach. Similar to DNA, RNA molecules can be designed to form complex 3D structures through complementary base pairings. RNA origami structures are, however, more compact and more thermodynamically stable due to RNA's non-canonical base pairing and tertiary interactions. With all these advantages, the development of RNA origami lags behind DNA origami by a large gap. Furthermore, although computational methods have proven to be effective in designing DNA and RNA origami structures and in their evaluation, advances in computational nucleic acid origami is even more limited. In this paper, we review major milestones in experimental and computational DNA and RNA origami and present current challenges in these fields. We believe collaboration between experimental nanotechnologists and computer scientists are critical for advancing these new research paradigms.
Vereecken, Carine; Dohogne, Sophie; Covents, Marc; Maes, Lea
2010-06-01
Computer-administered questionnaires have received increased attention for large-scale population research on nutrition. In Belgium-Flanders, Young Adolescents' Nutrition Assessment on Computer (YANA-C) has been developed. In this tool, standardised photographs are available to assist in portion-size estimation. The purpose of the present study is to assess how accurate adolescents are in estimating portion sizes of food using YANA-C. A convenience sample, aged 11-17 years, estimated the amounts of ten commonly consumed foods (breakfast cereals, French fries, pasta, rice, apple sauce, carrots and peas, crisps, creamy velouté, red cabbage, and peas). Two procedures were followed: (1) short-term recall: adolescents (n 73) self-served their usual portions of the ten foods and estimated the amounts later the same day; (2) real-time perception: adolescents (n 128) estimated two sets (different portions) of pre-weighed portions displayed near the computer. Self-served portions were, on average, 8 % underestimated; significant underestimates were found for breakfast cereals, French fries, peas, and carrots and peas. Spearman's correlations between the self-served and estimated weights varied between 0.51 and 0.84, with an average of 0.72. The kappa statistics were moderate (>0.4) for all but one item. Pre-weighed portions were, on average, 15 % underestimated, with significant underestimates for fourteen of the twenty portions. Photographs of food items can serve as a good aid in ranking subjects; however, to assess the actual intake at a group level, underestimation must be considered.
Computational approach for a pair of bubble coalescence process
International Nuclear Information System (INIS)
Nurul Hasan; Zalinawati binti Zakaria
2011-01-01
The coalescence of bubbles has great value in mineral recovery and oil industry. In this paper, two co-axial bubbles rising in a cylinder is modelled to study the coalescence of bubbles for four computational experimental test cases. The Reynolds' (Re) number is chosen in between 8.50 and 10, Bond number, Bo ∼4.25-50, Morton number, M 0.0125-14.7. The viscosity ratio (μ r ) and density ratio (ρ r ) of liquid to bubble are kept constant (100 and 850 respectively). It was found that the Bo number has significant effect on the coalescence process for constant Re, μ r and ρ r . The bubble-bubble distance over time was validated against published experimental data. The results show that VOF approach can be used to model these phenomena accurately. The surface tension was changed to alter the Bo and density of the fluids to alter the Re and M, keeping the μ r and ρ r the same. It was found that for lower Bo, the bubble coalesce is slower and the pocket at the lower part of the leading bubble is less concave (towards downward) which is supported by the experimental data.
International Nuclear Information System (INIS)
Aristovich, K Y; Khan, S H
2010-01-01
Realistic computer modelling of biological objects requires building of very accurate and realistic computer models based on geometric and material data, type, and accuracy of numerical analyses. This paper presents some of the automatic tools and algorithms that were used to build accurate and realistic 3D finite element (FE) model of whole-brain. These models were used to solve the forward problem in magnetic field tomography (MFT) based on Magnetoencephalography (MEG). The forward problem involves modelling and computation of magnetic fields produced by human brain during cognitive processing. The geometric parameters of the model were obtained from accurate Magnetic Resonance Imaging (MRI) data and the material properties - from those obtained from Diffusion Tensor MRI (DTMRI). The 3D FE models of the brain built using this approach has been shown to be very accurate in terms of both geometric and material properties. The model is stored on the computer in Computer-Aided Parametrical Design (CAD) format. This allows the model to be used in a wide a range of methods of analysis, such as finite element method (FEM), Boundary Element Method (BEM), Monte-Carlo Simulations, etc. The generic model building approach presented here could be used for accurate and realistic modelling of human brain and many other biological objects.
Computational neuropharmacology: dynamical approaches in drug discovery.
Aradi, Ildiko; Erdi, Péter
2006-05-01
Computational approaches that adopt dynamical models are widely accepted in basic and clinical neuroscience research as indispensable tools with which to understand normal and pathological neuronal mechanisms. Although computer-aided techniques have been used in pharmaceutical research (e.g. in structure- and ligand-based drug design), the power of dynamical models has not yet been exploited in drug discovery. We suggest that dynamical system theory and computational neuroscience--integrated with well-established, conventional molecular and electrophysiological methods--offer a broad perspective in drug discovery and in the search for novel targets and strategies for the treatment of neurological and psychiatric diseases.
Directory of Open Access Journals (Sweden)
Bryant Jamie
2011-11-01
Full Text Available Abstract Background Self report of smoking status is potentially unreliable in certain situations and in high-risk populations. This study aimed to determine the accuracy and acceptability of computer administered self-report of smoking status among a low socioeconomic (SES population. Methods Clients attending a community service organisation for welfare support were invited to complete a cross-sectional touch screen computer health survey. Following survey completion, participants were invited to provide a breath sample to measure exposure to tobacco smoke in expired air. Sensitivity, specificity, positive predictive value and negative predictive value were calculated. Results Three hundred and eighty three participants completed the health survey, and 330 (86% provided a breath sample. Of participants included in the validation analysis, 59% reported being a daily or occasional smoker. Sensitivity was 94.4% and specificity 92.8%. The positive and negative predictive values were 94.9% and 92.0% respectively. The majority of participants reported that the touch screen survey was both enjoyable (79% and easy (88% to complete. Conclusions Computer administered self report is both acceptable and accurate as a method of assessing smoking status among low SES smokers in a community setting. Routine collection of health information using touch-screen computer has the potential to identify smokers and increase provision of support and referral in the community setting.
Accurate Computation of Periodic Regions' Centers in the General M-Set with Integer Index Number
Directory of Open Access Journals (Sweden)
Wang Xingyuan
2010-01-01
Full Text Available This paper presents two methods for accurately computing the periodic regions' centers. One method fits for the general M-sets with integer index number, the other fits for the general M-sets with negative integer index number. Both methods improve the precision of computation by transforming the polynomial equations which determine the periodic regions' centers. We primarily discuss the general M-sets with negative integer index, and analyze the relationship between the number of periodic regions' centers on the principal symmetric axis and in the principal symmetric interior. We can get the centers' coordinates with at least 48 significant digits after the decimal point in both real and imaginary parts by applying the Newton's method to the transformed polynomial equation which determine the periodic regions' centers. In this paper, we list some centers' coordinates of general M-sets' k-periodic regions (k=3,4,5,6 for the index numbers α=−25,−24,…,−1 , all of which have highly numerical accuracy.
Results of computer assisted mini-incision subvastus approach for total knee arthroplasty.
Turajane, Thana; Larbpaiboonpong, Viroj; Kongtharvonskul, Jatupon; Maungsiri, Samart
2009-12-01
groups), and Knee society score preoperative and postoperative [64.6 (59.8-69.4) and 93.7 (90.8-96.65)]: 69 (63.6-74.39) 92.36 (88.22-96.5)]. The complications found in both groups were similar. No deep vein thrombosis, no fracture at both femur and tibia, no vascular injury, and no pin tract pain or infection was found in both groups. The computer assisted CMS-TKA) is one of the appropriate procedures for all varus deformity, no limitation with the associated bone loss, flexion contractor, BMI, except the fixed valgus deformity. To ensure the clinical outcomes, multiple key steps were considered as the appropriate techniques for this approach which included the accurate registration, precision bone cut and ligament balances, and the good cement techniques.
Computational and Game-Theoretic Approaches for Modeling Bounded Rationality
L. Waltman (Ludo)
2011-01-01
textabstractThis thesis studies various computational and game-theoretic approaches to economic modeling. Unlike traditional approaches to economic modeling, the approaches studied in this thesis do not rely on the assumption that economic agents behave in a fully rational way. Instead, economic
a Holistic Approach for Inspection of Civil Infrastructures Based on Computer Vision Techniques
Stentoumis, C.; Protopapadakis, E.; Doulamis, A.; Doulamis, N.
2016-06-01
In this work, it is examined the 2D recognition and 3D modelling of concrete tunnel cracks, through visual cues. At the time being, the structural integrity inspection of large-scale infrastructures is mainly performed through visual observations by human inspectors, who identify structural defects, rate them and, then, categorize their severity. The described approach targets at minimum human intervention, for autonomous inspection of civil infrastructures. The shortfalls of existing approaches in crack assessment are being addressed by proposing a novel detection scheme. Although efforts have been made in the field, synergies among proposed techniques are still missing. The holistic approach of this paper exploits the state of the art techniques of pattern recognition and stereo-matching, in order to build accurate 3D crack models. The innovation lies in the hybrid approach for the CNN detector initialization, and the use of the modified census transformation for stereo matching along with a binary fusion of two state-of-the-art optimization schemes. The described approach manages to deal with images of harsh radiometry, along with severe radiometric differences in the stereo pair. The effectiveness of this workflow is evaluated on a real dataset gathered in highway and railway tunnels. What is promising is that the computer vision workflow described in this work can be transferred, with adaptations of course, to other infrastructure such as pipelines, bridges and large industrial facilities that are in the need of continuous state assessment during their operational life cycle.
Hybrid soft computing approaches research and applications
Dutta, Paramartha; Chakraborty, Susanta
2016-01-01
The book provides a platform for dealing with the flaws and failings of the soft computing paradigm through different manifestations. The different chapters highlight the necessity of the hybrid soft computing methodology in general with emphasis on several application perspectives in particular. Typical examples include (a) Study of Economic Load Dispatch by Various Hybrid Optimization Techniques, (b) An Application of Color Magnetic Resonance Brain Image Segmentation by ParaOptiMUSIG activation Function, (c) Hybrid Rough-PSO Approach in Remote Sensing Imagery Analysis, (d) A Study and Analysis of Hybrid Intelligent Techniques for Breast Cancer Detection using Breast Thermograms, and (e) Hybridization of 2D-3D Images for Human Face Recognition. The elaborate findings of the chapters enhance the exhibition of the hybrid soft computing paradigm in the field of intelligent computing.
International Nuclear Information System (INIS)
Chacón, Enrique; Tarazona, Pedro; Bresme, Fernando
2015-01-01
We present a new computational approach to quantify the area per lipid and the area compressibility modulus of biological membranes. Our method relies on the analysis of the membrane fluctuations using our recently introduced coupled undulatory (CU) mode [Tarazona et al., J. Chem. Phys. 139, 094902 (2013)], which provides excellent estimates of the bending modulus of model membranes. Unlike the projected area, widely used in computer simulations of membranes, the CU area is thermodynamically consistent. This new area definition makes it possible to accurately estimate the area of the undulating bilayer, and the area per lipid, by excluding any contributions related to the phospholipid protrusions. We find that the area per phospholipid and the area compressibility modulus features a negligible dependence with system size, making possible their computation using truly small bilayers, involving a few hundred lipids. The area compressibility modulus obtained from the analysis of the CU area fluctuations is fully consistent with the Hooke’s law route. Unlike existing methods, our approach relies on a single simulation, and no a priori knowledge of the bending modulus is required. We illustrate our method by analyzing 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine bilayers using the coarse grained MARTINI force-field. The area per lipid and area compressibility modulus obtained with our method and the MARTINI forcefield are consistent with previous studies of these bilayers
A fast and accurate dihedral interpolation loop subdivision scheme
Shi, Zhuo; An, Yalei; Wang, Zhongshuai; Yu, Ke; Zhong, Si; Lan, Rushi; Luo, Xiaonan
2018-04-01
In this paper, we propose a fast and accurate dihedral interpolation Loop subdivision scheme for subdivision surfaces based on triangular meshes. In order to solve the problem of surface shrinkage, we keep the limit condition unchanged, which is important. Extraordinary vertices are handled using modified Butterfly rules. Subdivision schemes are computationally costly as the number of faces grows exponentially at higher levels of subdivision. To address this problem, our approach is to use local surface information to adaptively refine the model. This is achieved simply by changing the threshold value of the dihedral angle parameter, i.e., the angle between the normals of a triangular face and its adjacent faces. We then demonstrate the effectiveness of the proposed method for various 3D graphic triangular meshes, and extensive experimental results show that it can match or exceed the expected results at lower computational cost.
Noyes, Ben F.; Mokaberi, Babak; Mandoy, Ram; Pate, Alex; Huijgen, Ralph; McBurney, Mike; Chen, Owen
2017-03-01
Reducing overlay error via an accurate APC feedback system is one of the main challenges in high volume production of the current and future nodes in the semiconductor industry. The overlay feedback system directly affects the number of dies meeting overlay specification and the number of layers requiring dedicated exposure tools through the fabrication flow. Increasing the former number and reducing the latter number is beneficial for the overall efficiency and yield of the fabrication process. An overlay feedback system requires accurate determination of the overlay error, or fingerprint, on exposed wafers in order to determine corrections to be automatically and dynamically applied to the exposure of future wafers. Since current and future nodes require correction per exposure (CPE), the resolution of the overlay fingerprint must be high enough to accommodate CPE in the overlay feedback system, or overlay control module (OCM). Determining a high resolution fingerprint from measured data requires extremely dense overlay sampling that takes a significant amount of measurement time. For static corrections this is acceptable, but in an automated dynamic correction system this method creates extreme bottlenecks for the throughput of said system as new lots have to wait until the previous lot is measured. One solution is using a less dense overlay sampling scheme and employing computationally up-sampled data to a dense fingerprint. That method uses a global fingerprint model over the entire wafer; measured localized overlay errors are therefore not always represented in its up-sampled output. This paper will discuss a hybrid system shown in Fig. 1 that combines a computationally up-sampled fingerprint with the measured data to more accurately capture the actual fingerprint, including local overlay errors. Such a hybrid system is shown to result in reduced modelled residuals while determining the fingerprint, and better on-product overlay performance.
A Computer-Aided FPS-Oriented Approach for Construction Briefing
Institute of Scientific and Technical Information of China (English)
Xiaochun Luo; Qiping Shen
2008-01-01
Function performance specification (FPS) is one of the value management (VM) techniques de- veloped for the explicit statement of optimum product definition. This technique is widely used in software engineering and manufacturing industry, and proved to be successful to perform product defining tasks. This paper describes an FPS-odented approach for construction briefing, which is critical to the successful deliv- ery of construction projects. Three techniques, i.e., function analysis system technique, shared space, and computer-aided toolkit, are incorporated into the proposed approach. A computer-aided toolkit is developed to facilitate the implementation of FPS in the briefing processes. This approach can facilitate systematic, ef- ficient identification, clarification, and representation of client requirements in trail running. The limitations of the approach and future research work are also discussed at the end of the paper.
Funaki, Ayumu; Ohkubo, Masaki; Wada, Shinichi; Murao, Kohei; Matsumoto, Toru; Niizuma, Shinji
2012-07-01
With the wide dissemination of computed tomography (CT) screening for lung cancer, measuring the nodule volume accurately with computer-aided volumetry software is increasingly important. Many studies for determining the accuracy of volumetry software have been performed using a phantom with artificial nodules. These phantom studies are limited, however, in their ability to reproduce the nodules both accurately and in the variety of sizes and densities required. Therefore, we propose a new approach of using computer-simulated nodules based on the point spread function measured in a CT system. The validity of the proposed method was confirmed by the excellent agreement obtained between computer-simulated nodules and phantom nodules regarding the volume measurements. A practical clinical evaluation of the accuracy of volumetry software was achieved by adding simulated nodules onto clinical lung images, including noise and artifacts. The tested volumetry software was revealed to be accurate within an error of 20 % for nodules >5 mm and with the difference between nodule density and background (lung) (CT value) being 400-600 HU. Such a detailed analysis can provide clinically useful information on the use of volumetry software in CT screening for lung cancer. We concluded that the proposed method is effective for evaluating the performance of computer-aided volumetry software.
Introducing Computational Approaches in Intermediate Mechanics
Cook, David M.
2006-12-01
In the winter of 2003, we at Lawrence University moved Lagrangian mechanics and rigid body dynamics from a required sophomore course to an elective junior/senior course, freeing 40% of the time for computational approaches to ordinary differential equations (trajectory problems, the large amplitude pendulum, non-linear dynamics); evaluation of integrals (finding centers of mass and moment of inertia tensors, calculating gravitational potentials for various sources); and finding eigenvalues and eigenvectors of matrices (diagonalizing the moment of inertia tensor, finding principal axes), and to generating graphical displays of computed results. Further, students begin to use LaTeX to prepare some of their submitted problem solutions. Placed in the middle of the sophomore year, this course provides the background that permits faculty members as appropriate to assign computer-based exercises in subsequent courses. Further, students are encouraged to use our Computational Physics Laboratory on their own initiative whenever that use seems appropriate. (Curricular development supported in part by the W. M. Keck Foundation, the National Science Foundation, and Lawrence University.)
An Integrated Computer-Aided Approach for Environmental Studies
DEFF Research Database (Denmark)
Gani, Rafiqul; Chen, Fei; Jaksland, Cecilia
1997-01-01
A general framework for an integrated computer-aided approach to solve process design, control, and environmental problems simultaneously is presented. Physicochemical properties and their relationships to the molecular structure play an important role in the proposed integrated approach. The sco...... and applicability of the integrated approach is highlighted through examples involving estimation of properties and environmental pollution prevention. The importance of mixture effects on some environmentally important properties is also demonstrated....
Computer-oriented approach to fault-tree construction
International Nuclear Information System (INIS)
Salem, S.L.; Apostolakis, G.E.; Okrent, D.
1976-11-01
A methodology for systematically constructing fault trees for general complex systems is developed and applied, via the Computer Automated Tree (CAT) program, to several systems. A means of representing component behavior by decision tables is presented. The method developed allows the modeling of components with various combinations of electrical, fluid and mechanical inputs and outputs. Each component can have multiple internal failure mechanisms which combine with the states of the inputs to produce the appropriate output states. The generality of this approach allows not only the modeling of hardware, but human actions and interactions as well. A procedure for constructing and editing fault trees, either manually or by computer, is described. The techniques employed result in a complete fault tree, in standard form, suitable for analysis by current computer codes. Methods of describing the system, defining boundary conditions and specifying complex TOP events are developed in order to set up the initial configuration for which the fault tree is to be constructed. The approach used allows rapid modifications of the decision tables and systems to facilitate the analysis and comparison of various refinements and changes in the system configuration and component modeling
Energy Technology Data Exchange (ETDEWEB)
Bangga, Galih; Weihing, Pascal; Lutz, Thorsten; Krämer, Ewald [University of Stuttgart, Stuttgart (Germany)
2017-05-15
The present study focuses on the impact of grid for accurate prediction of the MEXICO rotor under stalled conditions. Two different blade mesh topologies, O and C-H meshes, and two different grid resolutions are tested for several time step sizes. The simulations are carried out using Delayed detached-eddy simulation (DDES) with two eddy viscosity RANS turbulence models, namely Spalart- Allmaras (SA) and Menter Shear stress transport (SST) k-ω. A high order spatial discretization, WENO (Weighted essentially non- oscillatory) scheme, is used in these computations. The results are validated against measurement data with regards to the sectional loads and the chordwise pressure distributions. The C-H mesh topology is observed to give the best results employing the SST k-ω turbulence model, but the computational cost is more expensive as the grid contains a wake block that increases the number of cells.
Accurate and efficient computation of synchrotron radiation functions
International Nuclear Information System (INIS)
MacLeod, Allan J.
2000-01-01
We consider the computation of three functions which appear in the theory of synchrotron radiation. These are F(x)=x∫x∞K 5/3 (y) dy))F p (x)=xK 2/3 (x) and G p (x)=x 1/3 K 1/3 (x), where K ν denotes a modified Bessel function. Chebyshev series coefficients are given which enable the functions to be computed with an accuracy of up to 15 sig. figures
Medical imaging in clinical applications algorithmic and computer-based approaches
Bhateja, Vikrant; Hassanien, Aboul
2016-01-01
This volume comprises of 21 selected chapters, including two overview chapters devoted to abdominal imaging in clinical applications supported computer aided diagnosis approaches as well as different techniques for solving the pectoral muscle extraction problem in the preprocessing part of the CAD systems for detecting breast cancer in its early stage using digital mammograms. The aim of this book is to stimulate further research in medical imaging applications based algorithmic and computer based approaches and utilize them in real-world clinical applications. The book is divided into four parts, Part-I: Clinical Applications of Medical Imaging, Part-II: Classification and clustering, Part-III: Computer Aided Diagnosis (CAD) Tools and Case Studies and Part-IV: Bio-inspiring based Computer Aided diagnosis techniques. .
Mutations that Cause Human Disease: A Computational/Experimental Approach
Energy Technology Data Exchange (ETDEWEB)
Beernink, P; Barsky, D; Pesavento, B
2006-01-11
International genome sequencing projects have produced billions of nucleotides (letters) of DNA sequence data, including the complete genome sequences of 74 organisms. These genome sequences have created many new scientific opportunities, including the ability to identify sequence variations among individuals within a species. These genetic differences, which are known as single nucleotide polymorphisms (SNPs), are particularly important in understanding the genetic basis for disease susceptibility. Since the report of the complete human genome sequence, over two million human SNPs have been identified, including a large-scale comparison of an entire chromosome from twenty individuals. Of the protein coding SNPs (cSNPs), approximately half leads to a single amino acid change in the encoded protein (non-synonymous coding SNPs). Most of these changes are functionally silent, while the remainder negatively impact the protein and sometimes cause human disease. To date, over 550 SNPs have been found to cause single locus (monogenic) diseases and many others have been associated with polygenic diseases. SNPs have been linked to specific human diseases, including late-onset Parkinson disease, autism, rheumatoid arthritis and cancer. The ability to predict accurately the effects of these SNPs on protein function would represent a major advance toward understanding these diseases. To date several attempts have been made toward predicting the effects of such mutations. The most successful of these is a computational approach called ''Sorting Intolerant From Tolerant'' (SIFT). This method uses sequence conservation among many similar proteins to predict which residues in a protein are functionally important. However, this method suffers from several limitations. First, a query sequence must have a sufficient number of relatives to infer sequence conservation. Second, this method does not make use of or provide any information on protein structure, which
Thermal Conductivities in Solids from First Principles: Accurate Computations and Rapid Estimates
Carbogno, Christian; Scheffler, Matthias
In spite of significant research efforts, a first-principles determination of the thermal conductivity κ at high temperatures has remained elusive. Boltzmann transport techniques that account for anharmonicity perturbatively become inaccurate under such conditions. Ab initio molecular dynamics (MD) techniques using the Green-Kubo (GK) formalism capture the full anharmonicity, but can become prohibitively costly to converge in time and size. We developed a formalism that accelerates such GK simulations by several orders of magnitude and that thus enables its application within the limited time and length scales accessible in ab initio MD. For this purpose, we determine the effective harmonic potential occurring during the MD, the associated temperature-dependent phonon properties and lifetimes. Interpolation in reciprocal and frequency space then allows to extrapolate to the macroscopic scale. For both force-field and ab initio MD, we validate this approach by computing κ for Si and ZrO2, two materials known for their particularly harmonic and anharmonic character. Eventually, we demonstrate how these techniques facilitate reasonable estimates of κ from existing MD calculations at virtually no additional computational cost.
Iwai, Toshinori; Omura, Susumu; Honda, Koji; Yamashita, Yosuke; Shibutani, Naoki; Fujita, Koichi; Takasu, Hikaru; Murata, Shogo; Tohnai, Iwai
2017-01-01
Bimaxillary orthognathic surgery has been widely performed to achieve optimal functional and esthetic outcomes in patients with dentofacial deformity. Although Le Fort I osteotomy is generally performed before bilateral sagittal split osteotomy (BSSO) in the surgery, in several situations BSSO should be performed first. However, it is very difficult during bimaxillary orthognathic surgery to maintain an accurate centric relation of the condyle and decide the ideal vertical dimension from the skull base to the mandible. We have previously applied a straight locking miniplate (SLM) technique that permits accurate superior maxillary repositioning without the need for intraoperative measurements in bimaxillary orthognathic surgery. Here we describe the application of this technique for accurate bimaxillary repositioning in a mandible-first approach where the SLMs also serve as a condylar positioning device in bimaxillary orthognathic surgery.
Fast and accurate Bayesian model criticism and conflict diagnostics using R-INLA
Ferkingstad, Egil
2017-10-16
Bayesian hierarchical models are increasingly popular for realistic modelling and analysis of complex data. This trend is accompanied by the need for flexible, general and computationally efficient methods for model criticism and conflict detection. Usually, a Bayesian hierarchical model incorporates a grouping of the individual data points, as, for example, with individuals in repeated measurement data. In such cases, the following question arises: Are any of the groups “outliers,” or in conflict with the remaining groups? Existing general approaches aiming to answer such questions tend to be extremely computationally demanding when model fitting is based on Markov chain Monte Carlo. We show how group-level model criticism and conflict detection can be carried out quickly and accurately through integrated nested Laplace approximations (INLA). The new method is implemented as a part of the open-source R-INLA package for Bayesian computing (http://r-inla.org).
A HOLISTIC APPROACH FOR INSPECTION OF CIVIL INFRASTRUCTURES BASED ON COMPUTER VISION TECHNIQUES
Directory of Open Access Journals (Sweden)
C. Stentoumis
2016-06-01
Full Text Available In this work, it is examined the 2D recognition and 3D modelling of concrete tunnel cracks, through visual cues. At the time being, the structural integrity inspection of large-scale infrastructures is mainly performed through visual observations by human inspectors, who identify structural defects, rate them and, then, categorize their severity. The described approach targets at minimum human intervention, for autonomous inspection of civil infrastructures. The shortfalls of existing approaches in crack assessment are being addressed by proposing a novel detection scheme. Although efforts have been made in the field, synergies among proposed techniques are still missing. The holistic approach of this paper exploits the state of the art techniques of pattern recognition and stereo-matching, in order to build accurate 3D crack models. The innovation lies in the hybrid approach for the CNN detector initialization, and the use of the modified census transformation for stereo matching along with a binary fusion of two state-of-the-art optimization schemes. The described approach manages to deal with images of harsh radiometry, along with severe radiometric differences in the stereo pair. The effectiveness of this workflow is evaluated on a real dataset gathered in highway and railway tunnels. What is promising is that the computer vision workflow described in this work can be transferred, with adaptations of course, to other infrastructure such as pipelines, bridges and large industrial facilities that are in the need of continuous state assessment during their operational life cycle.
A New Multiscale Technique for Time-Accurate Geophysics Simulations
Omelchenko, Y. A.; Karimabadi, H.
2006-12-01
Large-scale geophysics systems are frequently described by multiscale reactive flow models (e.g., wildfire and climate models, multiphase flows in porous rocks, etc.). Accurate and robust simulations of such systems by traditional time-stepping techniques face a formidable computational challenge. Explicit time integration suffers from global (CFL and accuracy) timestep restrictions due to inhomogeneous convective and diffusion processes, as well as closely coupled physical and chemical reactions. Application of adaptive mesh refinement (AMR) to such systems may not be always sufficient since its success critically depends on a careful choice of domain refinement strategy. On the other hand, implicit and timestep-splitting integrations may result in a considerable loss of accuracy when fast transients in the solution become important. To address this issue, we developed an alternative explicit approach to time-accurate integration of such systems: Discrete-Event Simulation (DES). DES enables asynchronous computation by automatically adjusting the CPU resources in accordance with local timescales. This is done by encapsulating flux- conservative updates of numerical variables in the form of events, whose execution and synchronization is explicitly controlled by imposing accuracy and causality constraints. As a result, at each time step DES self- adaptively updates only a fraction of the global system state, which eliminates unnecessary computation of inactive elements. DES can be naturally combined with various mesh generation techniques. The event-driven paradigm results in robust and fast simulation codes, which can be efficiently parallelized via a new preemptive event processing (PEP) technique. We discuss applications of this novel technology to time-dependent diffusion-advection-reaction and CFD models representative of various geophysics applications.
A new, accurate predictive model for incident hypertension
DEFF Research Database (Denmark)
Völzke, Henry; Fung, Glenn; Ittermann, Till
2013-01-01
Data mining represents an alternative approach to identify new predictors of multifactorial diseases. This work aimed at building an accurate predictive model for incident hypertension using data mining procedures.......Data mining represents an alternative approach to identify new predictors of multifactorial diseases. This work aimed at building an accurate predictive model for incident hypertension using data mining procedures....
International Nuclear Information System (INIS)
Minesaki, Yukitaka
2013-01-01
For the restricted three-body problem, we propose an accurate orbital integration scheme that retains all conserved quantities of the two-body problem with two primaries and approximately preserves the Jacobi integral. The scheme is obtained by taking the limit as mass approaches zero in the discrete-time general three-body problem. For a long time interval, the proposed scheme precisely reproduces various periodic orbits that cannot be accurately computed by other generic integrators
A dynamical-systems approach for computing ice-affected streamflow
Holtschlag, David J.
1996-01-01
A dynamical-systems approach was developed and evaluated for computing ice-affected streamflow. The approach provides for dynamic simulation and parameter estimation of site-specific equations relating ice effects to routinely measured environmental variables. Comparison indicates that results from the dynamical-systems approach ranked higher than results from 11 analytical methods previously investigated on the basis of accuracy and feasibility criteria. Additional research will likely lead to further improvements in the approach.
A scalable approach to modeling groundwater flow on massively parallel computers
International Nuclear Information System (INIS)
Ashby, S.F.; Falgout, R.D.; Tompson, A.F.B.
1995-12-01
We describe a fully scalable approach to the simulation of groundwater flow on a hierarchy of computing platforms, ranging from workstations to massively parallel computers. Specifically, we advocate the use of scalable conceptual models in which the subsurface model is defined independently of the computational grid on which the simulation takes place. We also describe a scalable multigrid algorithm for computing the groundwater flow velocities. We axe thus able to leverage both the engineer's time spent developing the conceptual model and the computing resources used in the numerical simulation. We have successfully employed this approach at the LLNL site, where we have run simulations ranging in size from just a few thousand spatial zones (on workstations) to more than eight million spatial zones (on the CRAY T3D)-all using the same conceptual model
Accurate overlaying for mobile augmented reality
Pasman, W; van der Schaaf, A; Lagendijk, RL; Jansen, F.W.
1999-01-01
Mobile augmented reality requires accurate alignment of virtual information with objects visible in the real world. We describe a system for mobile communications to be developed to meet these strict alignment criteria using a combination of computer vision. inertial tracking and low-latency
Computational Approaches to Simulation and Optimization of Global Aircraft Trajectories
Ng, Hok Kwan; Sridhar, Banavar
2016-01-01
This study examines three possible approaches to improving the speed in generating wind-optimal routes for air traffic at the national or global level. They are: (a) using the resources of a supercomputer, (b) running the computations on multiple commercially available computers and (c) implementing those same algorithms into NASAs Future ATM Concepts Evaluation Tool (FACET) and compares those to a standard implementation run on a single CPU. Wind-optimal aircraft trajectories are computed using global air traffic schedules. The run time and wait time on the supercomputer for trajectory optimization using various numbers of CPUs ranging from 80 to 10,240 units are compared with the total computational time for running the same computation on a single desktop computer and on multiple commercially available computers for potential computational enhancement through parallel processing on the computer clusters. This study also re-implements the trajectory optimization algorithm for further reduction of computational time through algorithm modifications and integrates that with FACET to facilitate the use of the new features which calculate time-optimal routes between worldwide airport pairs in a wind field for use with existing FACET applications. The implementations of trajectory optimization algorithms use MATLAB, Python, and Java programming languages. The performance evaluations are done by comparing their computational efficiencies and based on the potential application of optimized trajectories. The paper shows that in the absence of special privileges on a supercomputer, a cluster of commercially available computers provides a feasible approach for national and global air traffic system studies.
Computer Networks A Systems Approach
Peterson, Larry L
2011-01-01
This best-selling and classic book teaches you the key principles of computer networks with examples drawn from the real world of network and protocol design. Using the Internet as the primary example, the authors explain various protocols and networking technologies. Their systems-oriented approach encourages you to think about how individual network components fit into a larger, complex system of interactions. Whatever your perspective, whether it be that of an application developer, network administrator, or a designer of network equipment or protocols, you will come away with a "big pictur
Computational biomechanics for medicine new approaches and new applications
Miller, Karol; Wittek, Adam; Nielsen, Poul
2015-01-01
The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologiesand advancements. Thisvolumecomprises twelve of the newest approaches and applications of computational biomechanics, from researchers in Australia, New Zealand, USA, France, Spain and Switzerland. Some of the interesting topics discussed are:real-time simulations; growth and remodelling of soft tissues; inverse and meshless solutions; medical image analysis; and patient-specific solid mechanics simulations. One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. We hope the research presented within this book series will contribute to overcoming this grand challenge.
Manz, Thomas A; Sholl, David S
2011-12-13
The partitioning of electron spin density among atoms in a material gives atomic spin moments (ASMs), which are important for understanding magnetic properties. We compare ASMs computed using different population analysis methods and introduce a method for computing density derived electrostatic and chemical (DDEC) ASMs. Bader and DDEC ASMs can be computed for periodic and nonperiodic materials with either collinear or noncollinear magnetism, while natural population analysis (NPA) ASMs can be computed for nonperiodic materials with collinear magnetism. Our results show Bader, DDEC, and (where applicable) NPA methods give similar ASMs, but different net atomic charges. Because they are optimized to reproduce both the magnetic field and the chemical states of atoms in a material, DDEC ASMs are especially suitable for constructing interaction potentials for atomistic simulations. We describe the computation of accurate ASMs for (a) a variety of systems using collinear and noncollinear spin DFT, (b) highly correlated materials (e.g., magnetite) using DFT+U, and (c) various spin states of ozone using coupled cluster expansions. The computed ASMs are in good agreement with available experimental results for a variety of periodic and nonperiodic materials. Examples considered include the antiferromagnetic metal organic framework Cu3(BTC)2, several ozone spin states, mono- and binuclear transition metal complexes, ferri- and ferro-magnetic solids (e.g., Fe3O4, Fe3Si), and simple molecular systems. We briefly discuss the theory of exchange-correlation functionals for studying noncollinear magnetism. A method for finding the ground state of systems with highly noncollinear magnetism is introduced. We use these methods to study the spin-orbit coupling potential energy surface of the single molecule magnet Fe4C40H52N4O12, which has highly noncollinear magnetism, and find that it contains unusual features that give a new interpretation to experimental data.
Iterative feature refinement for accurate undersampled MR image reconstruction
Wang, Shanshan; Liu, Jianbo; Liu, Qiegen; Ying, Leslie; Liu, Xin; Zheng, Hairong; Liang, Dong
2016-05-01
Accelerating MR scan is of great significance for clinical, research and advanced applications, and one main effort to achieve this is the utilization of compressed sensing (CS) theory. Nevertheless, the existing CSMRI approaches still have limitations such as fine structure loss or high computational complexity. This paper proposes a novel iterative feature refinement (IFR) module for accurate MR image reconstruction from undersampled K-space data. Integrating IFR with CSMRI which is equipped with fixed transforms, we develop an IFR-CS method to restore meaningful structures and details that are originally discarded without introducing too much additional complexity. Specifically, the proposed IFR-CS is realized with three iterative steps, namely sparsity-promoting denoising, feature refinement and Tikhonov regularization. Experimental results on both simulated and in vivo MR datasets have shown that the proposed module has a strong capability to capture image details, and that IFR-CS is comparable and even superior to other state-of-the-art reconstruction approaches.
Iterative feature refinement for accurate undersampled MR image reconstruction
International Nuclear Information System (INIS)
Wang, Shanshan; Liu, Jianbo; Liu, Xin; Zheng, Hairong; Liang, Dong; Liu, Qiegen; Ying, Leslie
2016-01-01
Accelerating MR scan is of great significance for clinical, research and advanced applications, and one main effort to achieve this is the utilization of compressed sensing (CS) theory. Nevertheless, the existing CSMRI approaches still have limitations such as fine structure loss or high computational complexity. This paper proposes a novel iterative feature refinement (IFR) module for accurate MR image reconstruction from undersampled K-space data. Integrating IFR with CSMRI which is equipped with fixed transforms, we develop an IFR-CS method to restore meaningful structures and details that are originally discarded without introducing too much additional complexity. Specifically, the proposed IFR-CS is realized with three iterative steps, namely sparsity-promoting denoising, feature refinement and Tikhonov regularization. Experimental results on both simulated and in vivo MR datasets have shown that the proposed module has a strong capability to capture image details, and that IFR-CS is comparable and even superior to other state-of-the-art reconstruction approaches. (paper)
Archiving Software Systems: Approaches to Preserve Computational Capabilities
King, T. A.
2014-12-01
A great deal of effort is made to preserve scientific data. Not only because data is knowledge, but it is often costly to acquire and is sometimes collected under unique circumstances. Another part of the science enterprise is the development of software to process and analyze the data. Developed software is also a large investment and worthy of preservation. However, the long term preservation of software presents some challenges. Software often requires a specific technology stack to operate. This can include software, operating systems and hardware dependencies. One past approach to preserve computational capabilities is to maintain ancient hardware long past its typical viability. On an archive horizon of 100 years, this is not feasible. Another approach to preserve computational capabilities is to archive source code. While this can preserve details of the implementation and algorithms, it may not be possible to reproduce the technology stack needed to compile and run the resulting applications. This future forward dilemma has a solution. Technology used to create clouds and process big data can also be used to archive and preserve computational capabilities. We explore how basic hardware, virtual machines, containers and appropriate metadata can be used to preserve computational capabilities and to archive functional software systems. In conjunction with data archives, this provides scientist with both the data and capability to reproduce the processing and analysis used to generate past scientific results.
Computed tomography of the ossicles
International Nuclear Information System (INIS)
Chakeres, D.W.; Weider, D.J.
1985-01-01
Otologists and otolaryngologists have described in detail the disorders which are unique to the ossicles. However the anatomy and spectrum of pathology and anatomy of the ossicles are not familiar to most radiologists. Recent advances in computed tomography (CT) and a systematic approach to evaluation now allow accurate identification of even subtle abnormalities of the ossicles. We present the normal anatomy, ossicular abnormalities, and indications for computed tomographic study. Because of the greater diagnostic capability of CT, the radiologist's role has increased in evaluation and treatment planning of patients with suspected ossicular abnormalities. (orig.)
A computational approach to chemical etiologies of diabetes
DEFF Research Database (Denmark)
Audouze, Karine Marie Laure; Brunak, Søren; Grandjean, Philippe
2013-01-01
Computational meta-analysis can link environmental chemicals to genes and proteins involved in human diseases, thereby elucidating possible etiologies and pathogeneses of non-communicable diseases. We used an integrated computational systems biology approach to examine possible pathogenetic...... linkages in type 2 diabetes (T2D) through genome-wide associations, disease similarities, and published empirical evidence. Ten environmental chemicals were found to be potentially linked to T2D, the highest scores were observed for arsenic, 2,3,7,8-tetrachlorodibenzo-p-dioxin, hexachlorobenzene...
Distributed Pedestrian Detection Alerts Based on Data Fusion with Accurate Localization
Directory of Open Access Journals (Sweden)
Arturo de la Escalera
2013-09-01
Full Text Available Among Advanced Driver Assistance Systems (ADAS pedestrian detection is a common issue due to the vulnerability of pedestrians in the event of accidents. In the present work, a novel approach for pedestrian detection based on data fusion is presented. Data fusion helps to overcome the limitations inherent to each detection system (computer vision and laser scanner and provides accurate and trustable tracking of any pedestrian movement. The application is complemented by an efficient communication protocol, able to alert vehicles in the surroundings by a fast and reliable communication. The combination of a powerful location, based on a GPS with inertial measurement, and accurate obstacle localization based on data fusion has allowed locating the detected pedestrians with high accuracy. Tests proved the viability of the detection system and the efficiency of the communication, even at long distances. By the use of the alert communication, dangerous situations such as occlusions or misdetections can be avoided.
Distributed pedestrian detection alerts based on data fusion with accurate localization.
García, Fernando; Jiménez, Felipe; Anaya, José Javier; Armingol, José María; Naranjo, José Eugenio; de la Escalera, Arturo
2013-09-04
Among Advanced Driver Assistance Systems (ADAS) pedestrian detection is a common issue due to the vulnerability of pedestrians in the event of accidents. In the present work, a novel approach for pedestrian detection based on data fusion is presented. Data fusion helps to overcome the limitations inherent to each detection system (computer vision and laser scanner) and provides accurate and trustable tracking of any pedestrian movement. The application is complemented by an efficient communication protocol, able to alert vehicles in the surroundings by a fast and reliable communication. The combination of a powerful location, based on a GPS with inertial measurement, and accurate obstacle localization based on data fusion has allowed locating the detected pedestrians with high accuracy. Tests proved the viability of the detection system and the efficiency of the communication, even at long distances. By the use of the alert communication, dangerous situations such as occlusions or misdetections can be avoided.
Advanced computational approaches to biomedical engineering
Saha, Punam K; Basu, Subhadip
2014-01-01
There has been rapid growth in biomedical engineering in recent decades, given advancements in medical imaging and physiological modelling and sensing systems, coupled with immense growth in computational and network technology, analytic approaches, visualization and virtual-reality, man-machine interaction and automation. Biomedical engineering involves applying engineering principles to the medical and biological sciences and it comprises several topics including biomedicine, medical imaging, physiological modelling and sensing, instrumentation, real-time systems, automation and control, sig
Energy Technology Data Exchange (ETDEWEB)
Gray, Alan [The University of Edinburgh, Edinburgh EH9 3JZ, Scotland (United Kingdom); Harlen, Oliver G. [University of Leeds, Leeds LS2 9JT (United Kingdom); Harris, Sarah A., E-mail: s.a.harris@leeds.ac.uk [University of Leeds, Leeds LS2 9JT (United Kingdom); University of Leeds, Leeds LS2 9JT (United Kingdom); Khalid, Syma; Leung, Yuk Ming [University of Southampton, Southampton SO17 1BJ (United Kingdom); Lonsdale, Richard [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany); Philipps-Universität Marburg, Hans-Meerwein Strasse, 35032 Marburg (Germany); Mulholland, Adrian J. [University of Bristol, Bristol BS8 1TS (United Kingdom); Pearson, Arwen R. [University of Leeds, Leeds LS2 9JT (United Kingdom); University of Hamburg, Hamburg (Germany); Read, Daniel J.; Richardson, Robin A. [University of Leeds, Leeds LS2 9JT (United Kingdom); The University of Edinburgh, Edinburgh EH9 3JZ, Scotland (United Kingdom)
2015-01-01
The current computational techniques available for biomolecular simulation are described, and the successes and limitations of each with reference to the experimental biophysical methods that they complement are presented. Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.
Computer based approach to fatigue analysis and design
International Nuclear Information System (INIS)
Comstock, T.R.; Bernard, T.; Nieb, J.
1979-01-01
An approach is presented which uses a mini-computer based system for data acquisition, analysis and graphic displays relative to fatigue life estimation and design. Procedures are developed for identifying an eliminating damaging events due to overall duty cycle, forced vibration and structural dynamic characteristics. Two case histories, weld failures in heavy vehicles and low cycle fan blade failures, are discussed to illustrate the overall approach. (orig.) 891 RW/orig. 892 RKD [de
A stiffly accurate integrator for elastodynamic problems
Michels, Dominik L.
2017-07-21
We present a new integration algorithm for the accurate and efficient solution of stiff elastodynamic problems governed by the second-order ordinary differential equations of structural mechanics. Current methods have the shortcoming that their performance is highly dependent on the numerical stiffness of the underlying system that often leads to unrealistic behavior or a significant loss of efficiency. To overcome these limitations, we present a new integration method which is based on a mathematical reformulation of the underlying differential equations, an exponential treatment of the full nonlinear forcing operator as opposed to more standard partially implicit or exponential approaches, and the utilization of the concept of stiff accuracy which ensures that the efficiency of the simulations is significantly less sensitive to increased stiffness. As a consequence, we are able to tremendously accelerate the simulation of stiff systems compared to established integrators and significantly increase the overall accuracy. The advantageous behavior of this approach is demonstrated on a broad spectrum of complex examples like deformable bodies, textiles, bristles, and human hair. Our easily parallelizable integrator enables more complex and realistic models to be explored in visual computing without compromising efficiency.
Perturbation approach for nuclear magnetic resonance solid-state quantum computation
Directory of Open Access Journals (Sweden)
G. P. Berman
2003-01-01
Full Text Available A dynamics of a nuclear-spin quantum computer with a large number (L=1000 of qubits is considered using a perturbation approach. Small parameters are introduced and used to compute the error in an implementation of an entanglement between remote qubits, using a sequence of radio-frequency pulses. The error is computed up to the different orders of the perturbation theory and tested using exact numerical solution.
Thierbach, Adrian; Neiss, Christian; Gallandi, Lukas; Marom, Noa; Körzdörfer, Thomas; Görling, Andreas
2017-10-10
An accurate yet computationally very efficient and formally well justified approach to calculate molecular ionization potentials is presented and tested. The first as well as higher ionization potentials are obtained as the negatives of the Kohn-Sham eigenvalues of the neutral molecule after adjusting the eigenvalues by a recently [ Görling Phys. Rev. B 2015 , 91 , 245120 ] introduced potential adjustor for exchange-correlation potentials. Technically the method is very simple. Besides a Kohn-Sham calculation of the neutral molecule, only a second Kohn-Sham calculation of the cation is required. The eigenvalue spectrum of the neutral molecule is shifted such that the negative of the eigenvalue of the highest occupied molecular orbital equals the energy difference of the total electronic energies of the cation minus the neutral molecule. For the first ionization potential this simply amounts to a ΔSCF calculation. Then, the higher ionization potentials are obtained as the negatives of the correspondingly shifted Kohn-Sham eigenvalues. Importantly, this shift of the Kohn-Sham eigenvalue spectrum is not just ad hoc. In fact, it is formally necessary for the physically correct energetic adjustment of the eigenvalue spectrum as it results from ensemble density-functional theory. An analogous approach for electron affinities is equally well obtained and justified. To illustrate the practical benefits of the approach, we calculate the valence ionization energies of test sets of small- and medium-sized molecules and photoelectron spectra of medium-sized electron acceptor molecules using a typical semilocal (PBE) and two typical global hybrid functionals (B3LYP and PBE0). The potential adjusted B3LYP and PBE0 eigenvalues yield valence ionization potentials that are in very good agreement with experimental values, reaching an accuracy that is as good as the best G 0 W 0 methods, however, at much lower computational costs. The potential adjusted PBE eigenvalues result in
An improved Hough transform-based fingerprint alignment approach
CSIR Research Space (South Africa)
Mlambo, CS
2014-11-01
Full Text Available An improved Hough Transform based fingerprint alignment approach is presented, which improves computing time and memory usage with accurate alignment parameter (rotation and translation) results. This is achieved by studying the strengths...
Assessing Power Monitoring Approaches for Energy and Power Analysis of Computers
El Mehdi Diouria, Mohammed; Dolz Zaragozá, Manuel Francisco; Glückc, Olivier; Lefèvre, Laurent; Alonso, Pedro; Catalán Pallarés, Sandra; Mayo, Rafael; Quintana Ortí, Enrique S.
2014-01-01
Large-scale distributed systems (e.g., datacenters, HPC systems, clouds, large-scale networks, etc.) consume and will consume enormous amounts of energy. Therefore, accurately monitoring the power dissipation and energy consumption of these systems is more unavoidable. The main novelty of this contribution is the analysis and evaluation of different external and internal power monitoring devices tested using two different computing systems, a server and a desktop machine. Furthermore, we prov...
Petra, Cosmin G.; Schenk, Olaf; Lubin, Miles; Gä ertner, Klaus
2014-01-01
We present a scalable approach and implementation for solving stochastic optimization problems on high-performance computers. In this work we revisit the sparse linear algebra computations of the parallel solver PIPS with the goal of improving the shared-memory performance and decreasing the time to solution. These computations consist of solving sparse linear systems with multiple sparse right-hand sides and are needed in our Schur-complement decomposition approach to compute the contribution of each scenario to the Schur matrix. Our novel approach uses an incomplete augmented factorization implemented within the PARDISO linear solver and an outer BiCGStab iteration to efficiently absorb pivot perturbations occurring during factorization. This approach is capable of both efficiently using the cores inside a computational node and exploiting sparsity of the right-hand sides. We report on the performance of the approach on highperformance computers when solving stochastic unit commitment problems of unprecedented size (billions of variables and constraints) that arise in the optimization and control of electrical power grids. Our numerical experiments suggest that supercomputers can be efficiently used to solve power grid stochastic optimization problems with thousands of scenarios under the strict "real-time" requirements of power grid operators. To our knowledge, this has not been possible prior to the present work. © 2014 Society for Industrial and Applied Mathematics.
Meng, Zeng; Yang, Dixiong; Zhou, Huanlin; Yu, Bo
2018-05-01
The first order reliability method has been extensively adopted for reliability-based design optimization (RBDO), but it shows inaccuracy in calculating the failure probability with highly nonlinear performance functions. Thus, the second order reliability method is required to evaluate the reliability accurately. However, its application for RBDO is quite challenge owing to the expensive computational cost incurred by the repeated reliability evaluation and Hessian calculation of probabilistic constraints. In this article, a new improved stability transformation method is proposed to search the most probable point efficiently, and the Hessian matrix is calculated by the symmetric rank-one update. The computational capability of the proposed method is illustrated and compared to the existing RBDO approaches through three mathematical and two engineering examples. The comparison results indicate that the proposed method is very efficient and accurate, providing an alternative tool for RBDO of engineering structures.
Simple, fast and accurate two-diode model for photovoltaic modules
Energy Technology Data Exchange (ETDEWEB)
Ishaque, Kashif; Salam, Zainal; Taheri, Hamed [Faculty of Electrical Engineering, Universiti Teknologi Malaysia, UTM 81310, Skudai, Johor Bahru (Malaysia)
2011-02-15
This paper proposes an improved modeling approach for the two-diode model of photovoltaic (PV) module. The main contribution of this work is the simplification of the current equation, in which only four parameters are required, compared to six or more in the previously developed two-diode models. Furthermore the values of the series and parallel resistances are computed using a simple and fast iterative method. To validate the accuracy of the proposed model, six PV modules of different types (multi-crystalline, mono-crystalline and thin-film) from various manufacturers are tested. The performance of the model is evaluated against the popular single diode models. It is found that the proposed model is superior when subjected to irradiance and temperature variations. In particular the model matches very accurately for all important points of the I-V curves, i.e. the peak power, short-circuit current and open circuit voltage. The modeling method is useful for PV power converter designers and circuit simulator developers who require simple, fast yet accurate model for the PV module. (author)
Toward accurate tooth segmentation from computed tomography images using a hybrid level set model
Energy Technology Data Exchange (ETDEWEB)
Gan, Yangzhou; Zhao, Qunfei [Department of Automation, Shanghai Jiao Tong University, and Key Laboratory of System Control and Information Processing, Ministry of Education of China, Shanghai 200240 (China); Xia, Zeyang, E-mail: zy.xia@siat.ac.cn, E-mail: jing.xiong@siat.ac.cn; Hu, Ying [Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, and The Chinese University of Hong Kong, Shenzhen 518055 (China); Xiong, Jing, E-mail: zy.xia@siat.ac.cn, E-mail: jing.xiong@siat.ac.cn [Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 510855 (China); Zhang, Jianwei [TAMS, Department of Informatics, University of Hamburg, Hamburg 22527 (Germany)
2015-01-15
Purpose: A three-dimensional (3D) model of the teeth provides important information for orthodontic diagnosis and treatment planning. Tooth segmentation is an essential step in generating the 3D digital model from computed tomography (CT) images. The aim of this study is to develop an accurate and efficient tooth segmentation method from CT images. Methods: The 3D dental CT volumetric images are segmented slice by slice in a two-dimensional (2D) transverse plane. The 2D segmentation is composed of a manual initialization step and an automatic slice by slice segmentation step. In the manual initialization step, the user manually picks a starting slice and selects a seed point for each tooth in this slice. In the automatic slice segmentation step, a developed hybrid level set model is applied to segment tooth contours from each slice. Tooth contour propagation strategy is employed to initialize the level set function automatically. Cone beam CT (CBCT) images of two subjects were used to tune the parameters. Images of 16 additional subjects were used to validate the performance of the method. Volume overlap metrics and surface distance metrics were adopted to assess the segmentation accuracy quantitatively. The volume overlap metrics were volume difference (VD, mm{sup 3}) and Dice similarity coefficient (DSC, %). The surface distance metrics were average symmetric surface distance (ASSD, mm), RMS (root mean square) symmetric surface distance (RMSSSD, mm), and maximum symmetric surface distance (MSSD, mm). Computation time was recorded to assess the efficiency. The performance of the proposed method has been compared with two state-of-the-art methods. Results: For the tested CBCT images, the VD, DSC, ASSD, RMSSSD, and MSSD for the incisor were 38.16 ± 12.94 mm{sup 3}, 88.82 ± 2.14%, 0.29 ± 0.03 mm, 0.32 ± 0.08 mm, and 1.25 ± 0.58 mm, respectively; the VD, DSC, ASSD, RMSSSD, and MSSD for the canine were 49.12 ± 9.33 mm{sup 3}, 91.57 ± 0.82%, 0.27 ± 0.02 mm, 0
Toward accurate tooth segmentation from computed tomography images using a hybrid level set model
International Nuclear Information System (INIS)
Gan, Yangzhou; Zhao, Qunfei; Xia, Zeyang; Hu, Ying; Xiong, Jing; Zhang, Jianwei
2015-01-01
Purpose: A three-dimensional (3D) model of the teeth provides important information for orthodontic diagnosis and treatment planning. Tooth segmentation is an essential step in generating the 3D digital model from computed tomography (CT) images. The aim of this study is to develop an accurate and efficient tooth segmentation method from CT images. Methods: The 3D dental CT volumetric images are segmented slice by slice in a two-dimensional (2D) transverse plane. The 2D segmentation is composed of a manual initialization step and an automatic slice by slice segmentation step. In the manual initialization step, the user manually picks a starting slice and selects a seed point for each tooth in this slice. In the automatic slice segmentation step, a developed hybrid level set model is applied to segment tooth contours from each slice. Tooth contour propagation strategy is employed to initialize the level set function automatically. Cone beam CT (CBCT) images of two subjects were used to tune the parameters. Images of 16 additional subjects were used to validate the performance of the method. Volume overlap metrics and surface distance metrics were adopted to assess the segmentation accuracy quantitatively. The volume overlap metrics were volume difference (VD, mm 3 ) and Dice similarity coefficient (DSC, %). The surface distance metrics were average symmetric surface distance (ASSD, mm), RMS (root mean square) symmetric surface distance (RMSSSD, mm), and maximum symmetric surface distance (MSSD, mm). Computation time was recorded to assess the efficiency. The performance of the proposed method has been compared with two state-of-the-art methods. Results: For the tested CBCT images, the VD, DSC, ASSD, RMSSSD, and MSSD for the incisor were 38.16 ± 12.94 mm 3 , 88.82 ± 2.14%, 0.29 ± 0.03 mm, 0.32 ± 0.08 mm, and 1.25 ± 0.58 mm, respectively; the VD, DSC, ASSD, RMSSSD, and MSSD for the canine were 49.12 ± 9.33 mm 3 , 91.57 ± 0.82%, 0.27 ± 0.02 mm, 0.28 ± 0.03 mm
Cloud Computing - A Unified Approach for Surveillance Issues
Rachana, C. R.; Banu, Reshma, Dr.; Ahammed, G. F. Ali, Dr.; Parameshachari, B. D., Dr.
2017-08-01
Cloud computing describes highly scalable resources provided as an external service via the Internet on a basis of pay-per-use. From the economic point of view, the main attractiveness of cloud computing is that users only use what they need, and only pay for what they actually use. Resources are available for access from the cloud at any time, and from any location through networks. Cloud computing is gradually replacing the traditional Information Technology Infrastructure. Securing data is one of the leading concerns and biggest issue for cloud computing. Privacy of information is always a crucial pointespecially when an individual’s personalinformation or sensitive information is beingstored in the organization. It is indeed true that today; cloud authorization systems are notrobust enough. This paper presents a unified approach for analyzing the various security issues and techniques to overcome the challenges in the cloud environment.
International Nuclear Information System (INIS)
Huang, Long; Lee, Moon Soo; Saleh, Khaled; Aute, Vikrant; Radermacher, Reinhard
2014-01-01
Refrigerant flow mal-distribution is a practical challenge in most microchannel heat exchangers (MCHXs) applications. Geometry design, uneven heat transfer and pressure drop in the different microchannel tubes are three main reasons leading to the flow mal-distribution. To efficiently and accurately account for these three effects, a new MCHX co-simulation approach is proposed in this paper. The proposed approach combines a detailed header simulation based on computational fluid dynamics (CFD) and a robust effectiveness-based finite volume tube-side heat transfer and refrigerant flow modeling tool. The co-simulation concept is demonstrated on a ten-tube MCHX case study. Gravity effect and uneven airflow effect were numerically analyzed using both water and condensing R134a as the working fluids. The approach was validated against experimental data for an automotive R134a condenser. The inlet header was cut open after the experimental data had been collected. The detailed header geometry was reproduced using the proposed CFD header model. Good prediction accuracy was achieved compared to the experimental data. The presented co-simulation approach is capable of predicting detailed refrigerant flow behavior while accurately predicts the overall heat exchanger performance. - Highlights: •MCHX header flow distribution is analyzed by a co-simulation approach. •The proposed method is capable of simulating both single-phase and two-phase flow. •An actual header geometry is reproduced in the CFD header model. •The modeling work is experimentally validated with good accuracy. •Gravity effect and air side mal-distribution are accounted for
Guo, Zhi-Jun; Lin, Qiang; Liu, Hai-Tao; Lu, Jun-Ying; Zeng, Yan-Hong; Meng, Fan-Jie; Cao, Bin; Zi, Xue-Rong; Han, Shu-Ming; Zhang, Yu-Huan
2013-09-01
Using computed tomography (CT) to rapidly and accurately quantify pleural effusion volume benefits medical and scientific research. However, the precise volume of pleural effusions still involves many challenges and currently does not have a recognized accurate measuring. To explore the feasibility of using 64-slice CT volume-rendering technology to accurately measure pleural fluid volume and to then analyze the correlation between the volume of the free pleural effusion and the different diameters of the pleural effusion. The 64-slice CT volume-rendering technique was used to measure and analyze three parts. First, the fluid volume of a self-made thoracic model was measured and compared with the actual injected volume. Second, the pleural effusion volume was measured before and after pleural fluid drainage in 25 patients, and the volume reduction was compared with the actual volume of the liquid extract. Finally, the free pleural effusion volume was measured in 26 patients to analyze the correlation between it and the diameter of the effusion, which was then used to calculate the regression equation. After using the 64-slice CT volume-rendering technique to measure the fluid volume of the self-made thoracic model, the results were compared with the actual injection volume. No significant differences were found, P = 0.836. For the 25 patients with drained pleural effusions, the comparison of the reduction volume with the actual volume of the liquid extract revealed no significant differences, P = 0.989. The following linear regression equation was used to compare the pleural effusion volume (V) (measured by the CT volume-rendering technique) with the pleural effusion greatest depth (d): V = 158.16 × d - 116.01 (r = 0.91, P = 0.000). The following linear regression was used to compare the volume with the product of the pleural effusion diameters (l × h × d): V = 0.56 × (l × h × d) + 39.44 (r = 0.92, P = 0.000). The 64-slice CT volume-rendering technique can
International Nuclear Information System (INIS)
Guo, Zhi-Jun; Lin, Qiang; Liu, Hai-Tao
2013-01-01
Background: Using computed tomography (CT) to rapidly and accurately quantify pleural effusion volume benefits medical and scientific research. However, the precise volume of pleural effusions still involves many challenges and currently does not have a recognized accurate measuring. Purpose: To explore the feasibility of using 64-slice CT volume-rendering technology to accurately measure pleural fluid volume and to then analyze the correlation between the volume of the free pleural effusion and the different diameters of the pleural effusion. Material and Methods: The 64-slice CT volume-rendering technique was used to measure and analyze three parts. First, the fluid volume of a self-made thoracic model was measured and compared with the actual injected volume. Second, the pleural effusion volume was measured before and after pleural fluid drainage in 25 patients, and the volume reduction was compared with the actual volume of the liquid extract. Finally, the free pleural effusion volume was measured in 26 patients to analyze the correlation between it and the diameter of the effusion, which was then used to calculate the regression equation. Results: After using the 64-slice CT volume-rendering technique to measure the fluid volume of the self-made thoracic model, the results were compared with the actual injection volume. No significant differences were found, P = 0.836. For the 25 patients with drained pleural effusions, the comparison of the reduction volume with the actual volume of the liquid extract revealed no significant differences, P = 0.989. The following linear regression equation was used to compare the pleural effusion volume (V) (measured by the CT volume-rendering technique) with the pleural effusion greatest depth (d): V = 158.16 X d - 116.01 (r = 0.91, P = 0.000). The following linear regression was used to compare the volume with the product of the pleural effusion diameters (l X h X d): V = 0.56 X (l X h X d) + 39.44 (r = 0.92, P = 0
Energy Technology Data Exchange (ETDEWEB)
Guo, Zhi-Jun [Dept. of Radiology, North China Petroleum Bureau General Hospital, Renqiu, Hebei (China)], e-mail: Gzj3@163.com; Lin, Qiang [Dept. of Oncology, North China Petroleum Bureau General Hospital, Renqiu, Hebei (China); Liu, Hai-Tao [Dept. of General Surgery, North China Petroleum Bureau General Hospital, Renqiu, Hebei (China)] [and others])
2013-09-15
Background: Using computed tomography (CT) to rapidly and accurately quantify pleural effusion volume benefits medical and scientific research. However, the precise volume of pleural effusions still involves many challenges and currently does not have a recognized accurate measuring. Purpose: To explore the feasibility of using 64-slice CT volume-rendering technology to accurately measure pleural fluid volume and to then analyze the correlation between the volume of the free pleural effusion and the different diameters of the pleural effusion. Material and Methods: The 64-slice CT volume-rendering technique was used to measure and analyze three parts. First, the fluid volume of a self-made thoracic model was measured and compared with the actual injected volume. Second, the pleural effusion volume was measured before and after pleural fluid drainage in 25 patients, and the volume reduction was compared with the actual volume of the liquid extract. Finally, the free pleural effusion volume was measured in 26 patients to analyze the correlation between it and the diameter of the effusion, which was then used to calculate the regression equation. Results: After using the 64-slice CT volume-rendering technique to measure the fluid volume of the self-made thoracic model, the results were compared with the actual injection volume. No significant differences were found, P = 0.836. For the 25 patients with drained pleural effusions, the comparison of the reduction volume with the actual volume of the liquid extract revealed no significant differences, P = 0.989. The following linear regression equation was used to compare the pleural effusion volume (V) (measured by the CT volume-rendering technique) with the pleural effusion greatest depth (d): V = 158.16 X d - 116.01 (r = 0.91, P = 0.000). The following linear regression was used to compare the volume with the product of the pleural effusion diameters (l X h X d): V = 0.56 X (l X h X d) + 39.44 (r = 0.92, P = 0
Q-P Wave traveltime computation by an iterative approach
Ma, Xuxin; Alkhalifah, Tariq Ali
2013-01-01
In this work, we present a new approach to compute anisotropic traveltime based on solving successively elliptical isotropic traveltimes. The method shows good accuracy and is very simple to implement.
An efficient and accurate 3D displacements tracking strategy for digital volume correlation
Pan, Bing; Wang, Bo; Wu, Dafang; Lubineau, Gilles
2014-07-01
Owing to its inherent computational complexity, practical implementation of digital volume correlation (DVC) for internal displacement and strain mapping faces important challenges in improving its computational efficiency. In this work, an efficient and accurate 3D displacement tracking strategy is proposed for fast DVC calculation. The efficiency advantage is achieved by using three improvements. First, to eliminate the need of updating Hessian matrix in each iteration, an efficient 3D inverse compositional Gauss-Newton (3D IC-GN) algorithm is introduced to replace existing forward additive algorithms for accurate sub-voxel displacement registration. Second, to ensure the 3D IC-GN algorithm that converges accurately and rapidly and avoid time-consuming integer-voxel displacement searching, a generalized reliability-guided displacement tracking strategy is designed to transfer accurate and complete initial guess of deformation for each calculation point from its computed neighbors. Third, to avoid the repeated computation of sub-voxel intensity interpolation coefficients, an interpolation coefficient lookup table is established for tricubic interpolation. The computational complexity of the proposed fast DVC and the existing typical DVC algorithms are first analyzed quantitatively according to necessary arithmetic operations. Then, numerical tests are performed to verify the performance of the fast DVC algorithm in terms of measurement accuracy and computational efficiency. The experimental results indicate that, compared with the existing DVC algorithm, the presented fast DVC algorithm produces similar precision and slightly higher accuracy at a substantially reduced computational cost.
An efficient and accurate 3D displacements tracking strategy for digital volume correlation
Pan, Bing
2014-07-01
Owing to its inherent computational complexity, practical implementation of digital volume correlation (DVC) for internal displacement and strain mapping faces important challenges in improving its computational efficiency. In this work, an efficient and accurate 3D displacement tracking strategy is proposed for fast DVC calculation. The efficiency advantage is achieved by using three improvements. First, to eliminate the need of updating Hessian matrix in each iteration, an efficient 3D inverse compositional Gauss-Newton (3D IC-GN) algorithm is introduced to replace existing forward additive algorithms for accurate sub-voxel displacement registration. Second, to ensure the 3D IC-GN algorithm that converges accurately and rapidly and avoid time-consuming integer-voxel displacement searching, a generalized reliability-guided displacement tracking strategy is designed to transfer accurate and complete initial guess of deformation for each calculation point from its computed neighbors. Third, to avoid the repeated computation of sub-voxel intensity interpolation coefficients, an interpolation coefficient lookup table is established for tricubic interpolation. The computational complexity of the proposed fast DVC and the existing typical DVC algorithms are first analyzed quantitatively according to necessary arithmetic operations. Then, numerical tests are performed to verify the performance of the fast DVC algorithm in terms of measurement accuracy and computational efficiency. The experimental results indicate that, compared with the existing DVC algorithm, the presented fast DVC algorithm produces similar precision and slightly higher accuracy at a substantially reduced computational cost. © 2014 Elsevier Ltd.
Promises and Pitfalls of Computer-Supported Mindfulness: Exploring a Situated Mobile Approach
Directory of Open Access Journals (Sweden)
Ralph Vacca
2017-12-01
Full Text Available Computer-supported mindfulness (CSM is a burgeoning area filled with varied approaches such as mobile apps and EEG headbands. However, many of the approaches focus on providing meditation guidance. The ubiquity of mobile devices may provide new opportunities to support mindfulness practices that are more situated in everyday life. In this paper, a new situated mindfulness approach is explored through a specific mobile app design. Through an experimental design, the approach is compared to traditional audio-based mindfulness meditation, and a mind wandering control, over a one-week period. The study demonstrates the viability for a situated mobile mindfulness approach to induce mindfulness states. However, phenomenological aspects of the situated mobile approach suggest both promises and pitfalls for computer-supported mindfulness using a situated approach.
Directory of Open Access Journals (Sweden)
Attilio Frangi
2017-04-01
Full Text Available Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach.
Frangi, Attilio; Guerrieri, Andrea; Boni, Nicoló
2017-04-06
Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach.
Energy Technology Data Exchange (ETDEWEB)
Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)
2014-04-20
In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).
Energy Technology Data Exchange (ETDEWEB)
Wolverton, Christopher [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Ozolins, Vidvuds [Univ. of California, Los Angeles, CA (United States). Dept. of Materials Science and Engineering; Kung, Harold H. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemical and Biological Engineering; Yang, Jun [Ford Scientific Research Lab., Dearborn, MI (United States); Hwang, Sonjong [California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Chemistry and Chemical Engineering; Shore, Sheldon [The Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry and Biochemistry
2016-11-28
The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H_{2} or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH^{2+}NH_{3}BH_{3}] and nitrogen-hydrogen based borohydrides [e.g. Al(BH_{4})_{3}(NH_{3})_{3}]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And
Interacting electrons theory and computational approaches
Martin, Richard M; Ceperley, David M
2016-01-01
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Integration of case study approach, project design and computer ...
African Journals Online (AJOL)
Integration of case study approach, project design and computer modeling in managerial accounting education ... Journal of Fundamental and Applied Sciences ... in the Laboratory of Management Accounting and Controlling Systems at the ...
Fast and accurate methods for phylogenomic analyses
Directory of Open Access Journals (Sweden)
Warnow Tandy
2011-10-01
Full Text Available Abstract Background Species phylogenies are not estimated directly, but rather through phylogenetic analyses of different gene datasets. However, true gene trees can differ from the true species tree (and hence from one another due to biological processes such as horizontal gene transfer, incomplete lineage sorting, and gene duplication and loss, so that no single gene tree is a reliable estimate of the species tree. Several methods have been developed to estimate species trees from estimated gene trees, differing according to the specific algorithmic technique used and the biological model used to explain differences between species and gene trees. Relatively little is known about the relative performance of these methods. Results We report on a study evaluating several different methods for estimating species trees from sequence datasets, simulating sequence evolution under a complex model including indels (insertions and deletions, substitutions, and incomplete lineage sorting. The most important finding of our study is that some fast and simple methods are nearly as accurate as the most accurate methods, which employ sophisticated statistical methods and are computationally quite intensive. We also observe that methods that explicitly consider errors in the estimated gene trees produce more accurate trees than methods that assume the estimated gene trees are correct. Conclusions Our study shows that highly accurate estimations of species trees are achievable, even when gene trees differ from each other and from the species tree, and that these estimations can be obtained using fairly simple and computationally tractable methods.
Digging deeper on "deep" learning: A computational ecology approach.
Buscema, Massimo; Sacco, Pier Luigi
2017-01-01
We propose an alternative approach to "deep" learning that is based on computational ecologies of structurally diverse artificial neural networks, and on dynamic associative memory responses to stimuli. Rather than focusing on massive computation of many different examples of a single situation, we opt for model-based learning and adaptive flexibility. Cross-fertilization of learning processes across multiple domains is the fundamental feature of human intelligence that must inform "new" artificial intelligence.
Understanding Plant Nitrogen Metabolism through Metabolomics and Computational Approaches
Directory of Open Access Journals (Sweden)
Perrin H. Beatty
2016-10-01
Full Text Available A comprehensive understanding of plant metabolism could provide a direct mechanism for improving nitrogen use efficiency (NUE in crops. One of the major barriers to achieving this outcome is our poor understanding of the complex metabolic networks, physiological factors, and signaling mechanisms that affect NUE in agricultural settings. However, an exciting collection of computational and experimental approaches has begun to elucidate whole-plant nitrogen usage and provides an avenue for connecting nitrogen-related phenotypes to genes. Herein, we describe how metabolomics, computational models of metabolism, and flux balance analysis have been harnessed to advance our understanding of plant nitrogen metabolism. We introduce a model describing the complex flow of nitrogen through crops in a real-world agricultural setting and describe how experimental metabolomics data, such as isotope labeling rates and analyses of nutrient uptake, can be used to refine these models. In summary, the metabolomics/computational approach offers an exciting mechanism for understanding NUE that may ultimately lead to more effective crop management and engineered plants with higher yields.
Directory of Open Access Journals (Sweden)
Dimitris G. Stavrakoudis
2014-07-01
Full Text Available This study investigates the effectiveness of combining multispectral very high resolution (VHR and hyperspectral satellite imagery through a decision fusion approach, for accurate forest species mapping. Initially, two fuzzy classifications are conducted, one for each satellite image, using a fuzzy output support vector machine (SVM. The classification result from the hyperspectral image is then resampled to the multispectral’s spatial resolution and the two sources are combined using a simple yet efficient fusion operator. Thus, the complementary information provided from the two sources is effectively exploited, without having to resort to computationally demanding and time-consuming typical data fusion or vector stacking approaches. The effectiveness of the proposed methodology is validated in a complex Mediterranean forest landscape, comprising spectrally similar and spatially intermingled species. The decision fusion scheme resulted in an accuracy increase of 8% compared to the classification using only the multispectral imagery, whereas the increase was even higher compared to the classification using only the hyperspectral satellite image. Perhaps most importantly, its accuracy was significantly higher than alternative multisource fusion approaches, although the latter are characterized by much higher computation, storage, and time requirements.
He, Jieyue; Li, Chaojun; Ye, Baoliu; Zhong, Wei
2012-06-25
Most computational algorithms mainly focus on detecting highly connected subgraphs in PPI networks as protein complexes but ignore their inherent organization. Furthermore, many of these algorithms are computationally expensive. However, recent analysis indicates that experimentally detected protein complexes generally contain Core/attachment structures. In this paper, a Greedy Search Method based on Core-Attachment structure (GSM-CA) is proposed. The GSM-CA method detects densely connected regions in large protein-protein interaction networks based on the edge weight and two criteria for determining core nodes and attachment nodes. The GSM-CA method improves the prediction accuracy compared to other similar module detection approaches, however it is computationally expensive. Many module detection approaches are based on the traditional hierarchical methods, which is also computationally inefficient because the hierarchical tree structure produced by these approaches cannot provide adequate information to identify whether a network belongs to a module structure or not. In order to speed up the computational process, the Greedy Search Method based on Fast Clustering (GSM-FC) is proposed in this work. The edge weight based GSM-FC method uses a greedy procedure to traverse all edges just once to separate the network into the suitable set of modules. The proposed methods are applied to the protein interaction network of S. cerevisiae. Experimental results indicate that many significant functional modules are detected, most of which match the known complexes. Results also demonstrate that the GSM-FC algorithm is faster and more accurate as compared to other competing algorithms. Based on the new edge weight definition, the proposed algorithm takes advantages of the greedy search procedure to separate the network into the suitable set of modules. Experimental analysis shows that the identified modules are statistically significant. The algorithm can reduce the
The accurate particle tracer code
Wang, Yulei; Liu, Jian; Qin, Hong; Yu, Zhi; Yao, Yicun
2017-11-01
The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runaway electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world's fastest computer, the Sunway TaihuLight supercomputer, by supporting master-slave architecture of Sunway many-core processors. Based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.
Altman, Michael D.; Bardhan, Jaydeep P.; White, Jacob K.; Tidor, Bruce
2009-01-01
We present a boundary-element method (BEM) implementation for accurately solving problems in biomolecular electrostatics using the linearized Poisson–Boltzmann equation. Motivating this implementation is the desire to create a solver capable of precisely describing the geometries and topologies prevalent in continuum models of biological molecules. This implementation is enabled by the synthesis of four technologies developed or implemented specifically for this work. First, molecular and accessible surfaces used to describe dielectric and ion-exclusion boundaries were discretized with curved boundary elements that faithfully reproduce molecular geometries. Second, we avoided explicitly forming the dense BEM matrices and instead solved the linear systems with a preconditioned iterative method (GMRES), using a matrix compression algorithm (FFTSVD) to accelerate matrix-vector multiplication. Third, robust numerical integration methods were employed to accurately evaluate singular and near-singular integrals over the curved boundary elements. Finally, we present a general boundary-integral approach capable of modeling an arbitrary number of embedded homogeneous dielectric regions with differing dielectric constants, possible salt treatment, and point charges. A comparison of the presented BEM implementation and standard finite-difference techniques demonstrates that for certain classes of electrostatic calculations, such as determining absolute electrostatic solvation and rigid-binding free energies, the improved convergence properties of the BEM approach can have a significant impact on computed energetics. We also demonstrate that the improved accuracy offered by the curved-element BEM is important when more sophisticated techniques, such as non-rigid-binding models, are used to compute the relative electrostatic effects of molecular modifications. In addition, we show that electrostatic calculations requiring multiple solves using the same molecular geometry
On Elasticity Measurement in Cloud Computing
Directory of Open Access Journals (Sweden)
Wei Ai
2016-01-01
Full Text Available Elasticity is the foundation of cloud performance and can be considered as a great advantage and a key benefit of cloud computing. However, there is no clear, concise, and formal definition of elasticity measurement, and thus no effective approach to elasticity quantification has been developed so far. Existing work on elasticity lack of solid and technical way of defining elasticity measurement and definitions of elasticity metrics have not been accurate enough to capture the essence of elasticity measurement. In this paper, we present a new definition of elasticity measurement and propose a quantifying and measuring method using a continuous-time Markov chain (CTMC model, which is easy to use for precise calculation of elasticity value of a cloud computing platform. Our numerical results demonstrate the basic parameters affecting elasticity as measured by the proposed measurement approach. Furthermore, our simulation and experimental results validate that the proposed measurement approach is not only correct but also robust and is effective in computing and comparing the elasticity of cloud platforms. Our research in this paper makes significant contribution to quantitative measurement of elasticity in cloud computing.
Probabilistic Forecasting of Photovoltaic Generation: An Efficient Statistical Approach
DEFF Research Database (Denmark)
Wan, Can; Lin, Jin; Song, Yonghua
2017-01-01
This letter proposes a novel efficient probabilistic forecasting approach to accurately quantify the variability and uncertainty of the power production from photovoltaic (PV) systems. Distinguished from most existing models, a linear programming based prediction interval construction model for P...... power generation is proposed based on extreme learning machine and quantile regression, featuring high reliability and computational efficiency. The proposed approach is validated through the numerical studies on PV data from Denmark.......This letter proposes a novel efficient probabilistic forecasting approach to accurately quantify the variability and uncertainty of the power production from photovoltaic (PV) systems. Distinguished from most existing models, a linear programming based prediction interval construction model for PV...
Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach.
Liu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao
2013-09-10
Accurate computation of the pKa value of a compound in solution is important but challenging. Here, a new mixing quantum mechanical/molecular mechanical (QM/MM) Hamiltonian method is developed to simulate the free-energy change associated with the protonation/deprotonation processes in solution. The mixing Hamiltonian method is designed for efficient quantum mechanical free-energy simulations by alchemically varying the nuclear potential, i.e., the nuclear charge of the transforming nucleus. In pKa calculation, the charge on the proton is varied in fraction between 0 and 1, corresponding to the fully deprotonated and protonated states, respectively. Inspired by the mixing potential QM/MM free energy simulation method developed previously [H. Hu and W. T. Yang, J. Chem. Phys. 2005, 123, 041102], this method succeeds many advantages of a large class of λ-coupled free-energy simulation methods and the linear combination of atomic potential approach. Theory and technique details of this method, along with the calculation results of the pKa of methanol and methanethiol molecules in aqueous solution, are reported. The results show satisfactory agreement with the experimental data.
Computed tomography of human joints and radioactive waste drums
International Nuclear Information System (INIS)
Martz, Harry E.; Roberson, G. Patrick; Hollerbach, Karin; Logan, Clinton M.; Ashby, Elaine; Bernardi, Richard
1999-01-01
X- and gamma-ray imaging techniques in nondestructive evaluation (NDE) and assay (NDA) have seen increasing use in an array of industrial, environmental, military, and medical applications. Much of this growth in recent years is attributed to the rapid development of computed tomography (CT) and the use of NDE throughout the life-cycle of a product. Two diverse examples of CT are discussed, 1.) Our computational approach to normal joint kinematics and prosthetic joint analysis offers an opportunity to evaluate and improve prosthetic human joint replacements before they are manufactured or surgically implanted. Computed tomography data from scanned joints are segmented, resulting in the identification of bone and other tissues of interest, with emphasis on the articular surfaces. 2.) We are developing NDE and NDA techniques to analyze closed waste drums accurately and quantitatively. Active and passive computed tomography (A and PCT) is a comprehensive and accurate gamma-ray NDA method that can identify all detectable radioisotopes present in a container and measure their radioactivity
Chitty, Lyn S; Mason, Sarah; Barrett, Angela N; McKay, Fiona; Lench, Nicholas; Daley, Rebecca; Jenkins, Lucy A
2015-07-01
Accurate prenatal diagnosis of genetic conditions can be challenging and usually requires invasive testing. Here, we demonstrate the potential of next-generation sequencing (NGS) for the analysis of cell-free DNA in maternal blood to transform prenatal diagnosis of monogenic disorders. Analysis of cell-free DNA using a PCR and restriction enzyme digest (PCR-RED) was compared with a novel NGS assay in pregnancies at risk of achondroplasia and thanatophoric dysplasia. PCR-RED was performed in 72 cases and was correct in 88.6%, inconclusive in 7% with one false negative. NGS was performed in 47 cases and was accurate in 96.2% with no inconclusives. Both approaches were used in 27 cases, with NGS giving the correct result in the two cases inconclusive with PCR-RED. NGS provides an accurate, flexible approach to non-invasive prenatal diagnosis of de novo and paternally inherited mutations. It is more sensitive than PCR-RED and is ideal when screening a gene with multiple potential pathogenic mutations. These findings highlight the value of NGS in the development of non-invasive prenatal diagnosis for other monogenic disorders. © 2015 John Wiley & Sons, Ltd.
Energy Technology Data Exchange (ETDEWEB)
Adly, A.A., E-mail: adlyamr@gmail.com [Electrical Power and Machines Dept., Faculty of Engineering, Cairo University, Giza 12613 (Egypt); Abd-El-Hafiz, S.K. [Engineering Mathematics Department, Faculty of Engineering, Cairo University, Giza 12613 (Egypt)
2017-07-15
Highlights: • An approach to simulate hysteresis while taking shape anisotropy into consideration. • Utilizing the ensemble of triangular sub-regions hysteresis models in field computation. • A novel tool capable of carrying out field computation while keeping track of hysteresis losses. • The approach may be extended for 3D tetra-hedra sub-volumes. - Abstract: Field computation in media exhibiting hysteresis is crucial to a variety of applications such as magnetic recording processes and accurate determination of core losses in power devices. Recently, Hopfield neural networks (HNN) have been successfully configured to construct scalar and vector hysteresis models. This paper presents an efficient hysteresis modeling methodology and its implementation in field computation applications. The methodology is based on the application of the integral equation approach on discretized triangular magnetic sub-regions. Within every triangular sub-region, hysteresis properties are realized using a 3-node HNN. Details of the approach and sample computation results are given in the paper.
A survey on computational intelligence approaches for predictive modeling in prostate cancer
Cosma, G; Brown, D; Archer, M; Khan, M; Pockley, AG
2017-01-01
Predictive modeling in medicine involves the development of computational models which are capable of analysing large amounts of data in order to predict healthcare outcomes for individual patients. Computational intelligence approaches are suitable when the data to be modelled are too complex forconventional statistical techniques to process quickly and eciently. These advanced approaches are based on mathematical models that have been especially developed for dealing with the uncertainty an...
Gray, Alan; Harlen, Oliver G; Harris, Sarah A; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J; Pearson, Arwen R; Read, Daniel J; Richardson, Robin A
2015-01-01
Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.
Heskes, Tom; Eisinga, Rob; Breitling, Rainer
2014-11-21
The rank product method is a powerful statistical technique for identifying differentially expressed molecules in replicated experiments. A critical issue in molecule selection is accurate calculation of the p-value of the rank product statistic to adequately address multiple testing. Both exact calculation and permutation and gamma approximations have been proposed to determine molecule-level significance. These current approaches have serious drawbacks as they are either computationally burdensome or provide inaccurate estimates in the tail of the p-value distribution. We derive strict lower and upper bounds to the exact p-value along with an accurate approximation that can be used to assess the significance of the rank product statistic in a computationally fast manner. The bounds and the proposed approximation are shown to provide far better accuracy over existing approximate methods in determining tail probabilities, with the slightly conservative upper bound protecting against false positives. We illustrate the proposed method in the context of a recently published analysis on transcriptomic profiling performed in blood. We provide a method to determine upper bounds and accurate approximate p-values of the rank product statistic. The proposed algorithm provides an order of magnitude increase in throughput as compared with current approaches and offers the opportunity to explore new application domains with even larger multiple testing issue. The R code is published in one of the Additional files and is available at http://www.ru.nl/publish/pages/726696/rankprodbounds.zip .
Computation-aware algorithm selection approach for interlaced-to-progressive conversion
Park, Sang-Jun; Jeon, Gwanggil; Jeong, Jechang
2010-05-01
We discuss deinterlacing results in a computationally constrained and varied environment. The proposed computation-aware algorithm selection approach (CASA) for fast interlaced to progressive conversion algorithm consists of three methods: the line-averaging (LA) method for plain regions, the modified edge-based line-averaging (MELA) method for medium regions, and the proposed covariance-based adaptive deinterlacing (CAD) method for complex regions. The proposed CASA uses two criteria, mean-squared error (MSE) and CPU time, for assigning the method. We proposed a CAD method. The principle idea of CAD is based on the correspondence between the high and low-resolution covariances. We estimated the local covariance coefficients from an interlaced image using Wiener filtering theory and then used these optimal minimum MSE interpolation coefficients to obtain a deinterlaced image. The CAD method, though more robust than most known methods, was not found to be very fast compared to the others. To alleviate this issue, we proposed an adaptive selection approach using a fast deinterlacing algorithm rather than using only one CAD algorithm. The proposed hybrid approach of switching between the conventional schemes (LA and MELA) and our CAD was proposed to reduce the overall computational load. A reliable condition to be used for switching the schemes was presented after a wide set of initial training processes. The results of computer simulations showed that the proposed methods outperformed a number of methods presented in the literature.
Braat, Joseph; Dirksen, Peter; Janssen, Augustus J E M
2002-05-01
We assess the validity of an extended Nijboer-Zernike approach [J. Opt. Soc. Am. A 19, 849 (2002)], based on ecently found Bessel-series representations of diffraction integrals comprising an arbitrary aberration and a defocus part, for the computation of optical point-spread functions of circular, aberrated optical systems. These new series representations yield a flexible means to compute optical point-spread functions, both accurately and efficiently, under defocus and aberration conditions that seem to cover almost all cases of practical interest. Because of the analytical nature of the formulas, there are no discretization effects limiting the accuracy, as opposed to the more commonly used numerical packages based on strictly numerical integration methods. Instead, we have an easily managed criterion, expressed in the number of terms to be included in the Bessel-series representations, guaranteeing the desired accuracy. For this reason, the analytical method can also serve as a calibration tool for the numerically based methods. The analysis is not limited to pointlike objects but can also be used for extended objects under various illumination conditions. The calculation schemes are simple and permit one to trace the relative strength of the various interfering complex-amplitude terms that contribute to the final image intensity function.
Biomimetic Approach for Accurate, Real-Time Aerodynamic Coefficients, Phase I
National Aeronautics and Space Administration — Aerodynamic and structural reliability and efficiency depends critically on the ability to accurately assess the aerodynamic loads and moments for each lifting...
International Nuclear Information System (INIS)
Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" data-affiliation=" (Dipartimento di Chimica Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" >Puzzarini, Cristina; Ali, Ashraf; Biczysko, Malgorzata; Barone, Vincenzo
2014-01-01
An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm –1 for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.
Energy Technology Data Exchange (ETDEWEB)
Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Ali, Ashraf [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Biczysko, Malgorzata; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)
2014-09-10
An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm{sup –1} for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.
Accurate technique for complete geometric calibration of cone-beam computed tomography systems
International Nuclear Information System (INIS)
Cho Youngbin; Moseley, Douglas J.; Siewerdsen, Jeffrey H.; Jaffray, David A.
2005-01-01
Cone-beam computed tomography systems have been developed to provide in situ imaging for the purpose of guiding radiation therapy. Clinical systems have been constructed using this approach, a clinical linear accelerator (Elekta Synergy RP) and an iso-centric C-arm. Geometric calibration involves the estimation of a set of parameters that describes the geometry of such systems, and is essential for accurate image reconstruction. We have developed a general analytic algorithm and corresponding calibration phantom for estimating these geometric parameters in cone-beam computed tomography (CT) systems. The performance of the calibration algorithm is evaluated and its application is discussed. The algorithm makes use of a calibration phantom to estimate the geometric parameters of the system. The phantom consists of 24 steel ball bearings (BBs) in a known geometry. Twelve BBs are spaced evenly at 30 deg in two plane-parallel circles separated by a given distance along the tube axis. The detector (e.g., a flat panel detector) is assumed to have no spatial distortion. The method estimates geometric parameters including the position of the x-ray source, position, and rotation of the detector, and gantry angle, and can describe complex source-detector trajectories. The accuracy and sensitivity of the calibration algorithm was analyzed. The calibration algorithm estimates geometric parameters in a high level of accuracy such that the quality of CT reconstruction is not degraded by the error of estimation. Sensitivity analysis shows uncertainty of 0.01 deg. (around beam direction) to 0.3 deg. (normal to the beam direction) in rotation, and 0.2 mm (orthogonal to the beam direction) to 4.9 mm (beam direction) in position for the medical linear accelerator geometry. Experimental measurements using a laboratory bench Cone-beam CT system of known geometry demonstrate the sensitivity of the method in detecting small changes in the imaging geometry with an uncertainty of 0.1 mm in
Energy-aware memory management for embedded multimedia systems a computer-aided design approach
Balasa, Florin
2011-01-01
Energy-Aware Memory Management for Embedded Multimedia Systems: A Computer-Aided Design Approach presents recent computer-aided design (CAD) ideas that address memory management tasks, particularly the optimization of energy consumption in the memory subsystem. It explains how to efficiently implement CAD solutions, including theoretical methods and novel algorithms. The book covers various energy-aware design techniques, including data-dependence analysis techniques, memory size estimation methods, extensions of mapping approaches, and memory banking approaches. It shows how these techniques
A Cognitive Computing Approach for Classification of Complaints in the Insurance Industry
Forster, J.; Entrup, B.
2017-10-01
In this paper we present and evaluate a cognitive computing approach for classification of dissatisfaction and four complaint specific complaint classes in correspondence documents between insurance clients and an insurance company. A cognitive computing approach includes the combination classical natural language processing methods, machine learning algorithms and the evaluation of hypothesis. The approach combines a MaxEnt machine learning algorithm with language modelling, tf-idf and sentiment analytics to create a multi-label text classification model. The result is trained and tested with a set of 2500 original insurance communication documents written in German, which have been manually annotated by the partnering insurance company. With a F1-Score of 0.9, a reliable text classification component has been implemented and evaluated. A final outlook towards a cognitive computing insurance assistant is given in the end.
Energy Technology Data Exchange (ETDEWEB)
Nakhleh, Luay
2014-03-12
I proposed to develop computationally efficient tools for accurate detection and reconstruction of microbes' complex evolutionary mechanisms, thus enabling rapid and accurate annotation, analysis and understanding of their genomes. To achieve this goal, I proposed to address three aspects. (1) Mathematical modeling. A major challenge facing the accurate detection of HGT is that of distinguishing between these two events on the one hand and other events that have similar "effects." I proposed to develop a novel mathematical approach for distinguishing among these events. Further, I proposed to develop a set of novel optimization criteria for the evolutionary analysis of microbial genomes in the presence of these complex evolutionary events. (2) Algorithm design. In this aspect of the project, I proposed to develop an array of e cient and accurate algorithms for analyzing microbial genomes based on the formulated optimization criteria. Further, I proposed to test the viability of the criteria and the accuracy of the algorithms in an experimental setting using both synthetic as well as biological data. (3) Software development. I proposed the nal outcome to be a suite of software tools which implements the mathematical models as well as the algorithms developed.
Distributional and Knowledge-Based Approaches for Computing Portuguese Word Similarity
Directory of Open Access Journals (Sweden)
Hugo Gonçalo Oliveira
2018-02-01
Full Text Available Identifying similar and related words is not only key in natural language understanding but also a suitable task for assessing the quality of computational resources that organise words and meanings of a language, compiled by different means. This paper, which aims to be a reference for those interested in computing word similarity in Portuguese, presents several approaches for this task and is motivated by the recent availability of state-of-the-art distributional models of Portuguese words, which add to several lexical knowledge bases (LKBs for this language, available for a longer time. The previous resources were exploited to answer word similarity tests, which also became recently available for Portuguese. We conclude that there are several valid approaches for this task, but not one that outperforms all the others in every single test. Distributional models seem to capture relatedness better, while LKBs are better suited for computing genuine similarity, but, in general, better results are obtained when knowledge from different sources is combined.
Accurate computer simulation of a drift chamber
International Nuclear Information System (INIS)
Killian, T.J.
1980-01-01
A general purpose program for drift chamber studies is described. First the capacitance matrix is calculated using a Green's function technique. The matrix is used in a linear-least-squares fit to choose optimal operating voltages. Next the electric field is computed, and given knowledge of gas parameters and magnetic field environment, a family of electron trajectories is determined. These are finally used to make drift distance vs time curves which may be used directly by a track reconstruction program. Results are compared with data obtained from the cylindrical chamber in the Axial Field Magnet experiment at the CERN ISR
Zajenkowski, Marcin; Styla, Rafal; Szymanik, Jakub
2011-01-01
We compared the processing of natural language quantifiers in a group of patients with schizophrenia and a healthy control group. In both groups, the difficulty of the quantifiers was consistent with computational predictions, and patients with schizophrenia took more time to solve the problems. However, they were significantly less accurate only…
D-Wave's Approach to Quantum Computing: 1000-qubits and Counting!
CERN. Geneva
2017-01-01
In this talk I will describe D-Wave's approach to quantum computing, including the system architecture of our 1000-qubit D-Wave 2X, its programming model, and performance benchmarks. Furthermore, I will describe how the native optimization and sampling capabilities of the quantum processor can be exploited to tackle problems in a variety of fields including medicine, machine learning, physics, and computational finance.
International Nuclear Information System (INIS)
Cai, C.; Rodet, T.; Mohammad-Djafari, A.; Legoupil, S.
2013-01-01
Purpose: Dual-energy computed tomography (DECT) makes it possible to get two fractions of basis materials without segmentation. One is the soft-tissue equivalent water fraction and the other is the hard-matter equivalent bone fraction. Practical DECT measurements are usually obtained with polychromatic x-ray beams. Existing reconstruction approaches based on linear forward models without counting the beam polychromaticity fail to estimate the correct decomposition fractions and result in beam-hardening artifacts (BHA). The existing BHA correction approaches either need to refer to calibration measurements or suffer from the noise amplification caused by the negative-log preprocessing and the ill-conditioned water and bone separation problem. To overcome these problems, statistical DECT reconstruction approaches based on nonlinear forward models counting the beam polychromaticity show great potential for giving accurate fraction images.Methods: This work proposes a full-spectral Bayesian reconstruction approach which allows the reconstruction of high quality fraction images from ordinary polychromatic measurements. This approach is based on a Gaussian noise model with unknown variance assigned directly to the projections without taking negative-log. Referring to Bayesian inferences, the decomposition fractions and observation variance are estimated by using the joint maximum a posteriori (MAP) estimation method. Subject to an adaptive prior model assigned to the variance, the joint estimation problem is then simplified into a single estimation problem. It transforms the joint MAP estimation problem into a minimization problem with a nonquadratic cost function. To solve it, the use of a monotone conjugate gradient algorithm with suboptimal descent steps is proposed.Results: The performance of the proposed approach is analyzed with both simulated and experimental data. The results show that the proposed Bayesian approach is robust to noise and materials. It is also
RIO: a new computational framework for accurate initial data of binary black holes
Barreto, W.; Clemente, P. C. M.; de Oliveira, H. P.; Rodriguez-Mueller, B.
2018-06-01
We present a computational framework ( Rio) in the ADM 3+1 approach for numerical relativity. This work enables us to carry out high resolution calculations for initial data of two arbitrary black holes. We use the transverse conformal treatment, the Bowen-York and the puncture methods. For the numerical solution of the Hamiltonian constraint we use the domain decomposition and the spectral decomposition of Galerkin-Collocation. The nonlinear numerical code solves the set of equations for the spectral modes using the standard Newton-Raphson method, LU decomposition and Gaussian quadratures. We show the convergence of the Rio code. This code allows for easy deployment of large calculations. We show how the spin of one of the black holes is manifest in the conformal factor.
The soft computing-based approach to investigate allergic diseases: a systematic review.
Tartarisco, Gennaro; Tonacci, Alessandro; Minciullo, Paola Lucia; Billeci, Lucia; Pioggia, Giovanni; Incorvaia, Cristoforo; Gangemi, Sebastiano
2017-01-01
Early recognition of inflammatory markers and their relation to asthma, adverse drug reactions, allergic rhinitis, atopic dermatitis and other allergic diseases is an important goal in allergy. The vast majority of studies in the literature are based on classic statistical methods; however, developments in computational techniques such as soft computing-based approaches hold new promise in this field. The aim of this manuscript is to systematically review the main soft computing-based techniques such as artificial neural networks, support vector machines, bayesian networks and fuzzy logic to investigate their performances in the field of allergic diseases. The review was conducted following PRISMA guidelines and the protocol was registered within PROSPERO database (CRD42016038894). The research was performed on PubMed and ScienceDirect, covering the period starting from September 1, 1990 through April 19, 2016. The review included 27 studies related to allergic diseases and soft computing performances. We observed promising results with an overall accuracy of 86.5%, mainly focused on asthmatic disease. The review reveals that soft computing-based approaches are suitable for big data analysis and can be very powerful, especially when dealing with uncertainty and poorly characterized parameters. Furthermore, they can provide valuable support in case of lack of data and entangled cause-effect relationships, which make it difficult to assess the evolution of disease. Although most works deal with asthma, we believe the soft computing approach could be a real breakthrough and foster new insights into other allergic diseases as well.
Accurate computer simulation of a drift chamber
Killian, T J
1980-01-01
The author describes a general purpose program for drift chamber studies. First the capacitance matrix is calculated using a Green's function technique. The matrix is used in a linear-least-squares fit to choose optimal operating voltages. Next the electric field is computed, and given knowledge of gas parameters and magnetic field environment, a family of electron trajectories is determined. These are finally used to make drift distance vs time curves which may be used directly by a track reconstruction program. The results are compared with data obtained from the cylindrical chamber in the Axial Field Magnet experiment at the CERN ISR. (1 refs).
WSRC approach to validation of criticality safety computer codes
International Nuclear Information System (INIS)
Finch, D.R.; Mincey, J.F.
1991-01-01
Recent hardware and operating system changes at Westinghouse Savannah River Site (WSRC) have necessitated review of the validation for JOSHUA criticality safety computer codes. As part of the planning for this effort, a policy for validation of JOSHUA and other criticality safety codes has been developed. This policy will be illustrated with the steps being taken at WSRC. The objective in validating a specific computational method is to reliably correlate its calculated neutron multiplication factor (K eff ) with known values over a well-defined set of neutronic conditions. Said another way, such correlations should be: (1) repeatable; (2) demonstrated with defined confidence; and (3) identify the range of neutronic conditions (area of applicability) for which the correlations are valid. The general approach to validation of computational methods at WSRC must encompass a large number of diverse types of fissile material processes in different operations. Special problems are presented in validating computational methods when very few experiments are available (such as for enriched uranium systems with principal second isotope 236 U). To cover all process conditions at WSRC, a broad validation approach has been used. Broad validation is based upon calculation of many experiments to span all possible ranges of reflection, nuclide concentrations, moderation ratios, etc. Narrow validation, in comparison, relies on calculations of a few experiments very near anticipated worst-case process conditions. The methods and problems of broad validation are discussed
Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David
2017-03-03
Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.
An accurate determination of the flux within a slab
International Nuclear Information System (INIS)
Ganapol, B.D.; Lapenta, G.
1993-01-01
During the past decade, several articles have been written concerning accurate solutions to the monoenergetic neutron transport equation in infinite and semi-infinite geometries. The numerical formulations found in these articles were based primarily on the extensive theoretical investigations performed by the open-quotes transport greatsclose quotes such as Chandrasekhar, Busbridge, Sobolev, and Ivanov, to name a few. The development of numerical solutions in infinite and semi-infinite geometries represents an example of how mathematical transport theory can be utilized to provide highly accurate and efficient numerical transport solutions. These solutions, or analytical benchmarks, are useful as open-quotes industry standards,close quotes which provide guidance to code developers and promote learning in the classroom. The high accuracy of these benchmarks is directly attributable to the rapid advancement of the state of computing and computational methods. Transport calculations that were beyond the capability of the open-quotes supercomputersclose quotes of just a few years ago are now possible at one's desk. In this paper, we again build upon the past to tackle the slab problem, which is of the next level of difficulty in comparison to infinite media problems. The formulation is based on the monoenergetic Green's function, which is the most fundamental transport solution. This method of solution requires a fast and accurate evaluation of the Green's function, which, with today's computational power, is now readily available
SPINET: A Parallel Computing Approach to Spine Simulations
Directory of Open Access Journals (Sweden)
Peter G. Kropf
1996-01-01
Full Text Available Research in scientitic programming enables us to realize more and more complex applications, and on the other hand, application-driven demands on computing methods and power are continuously growing. Therefore, interdisciplinary approaches become more widely used. The interdisciplinary SPINET project presented in this article applies modern scientific computing tools to biomechanical simulations: parallel computing and symbolic and modern functional programming. The target application is the human spine. Simulations of the spine help us to investigate and better understand the mechanisms of back pain and spinal injury. Two approaches have been used: the first uses the finite element method for high-performance simulations of static biomechanical models, and the second generates a simulation developmenttool for experimenting with different dynamic models. A finite element program for static analysis has been parallelized for the MUSIC machine. To solve the sparse system of linear equations, a conjugate gradient solver (iterative method and a frontal solver (direct method have been implemented. The preprocessor required for the frontal solver is written in the modern functional programming language SML, the solver itself in C, thus exploiting the characteristic advantages of both functional and imperative programming. The speedup analysis of both solvers show very satisfactory results for this irregular problem. A mixed symbolic-numeric environment for rigid body system simulations is presented. It automatically generates C code from a problem specification expressed by the Lagrange formalism using Maple.
A Bayesian approach for parameter estimation and prediction using a computationally intensive model
International Nuclear Information System (INIS)
Higdon, Dave; McDonnell, Jordan D; Schunck, Nicolas; Sarich, Jason; Wild, Stefan M
2015-01-01
Bayesian methods have been successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model η(θ), where θ denotes the uncertain, best input setting. Hence the statistical model is of the form y=η(θ)+ϵ, where ϵ accounts for measurement, and possibly other, error sources. When nonlinearity is present in η(⋅), the resulting posterior distribution for the unknown parameters in the Bayesian formulation is typically complex and nonstandard, requiring computationally demanding computational approaches such as Markov chain Monte Carlo (MCMC) to produce multivariate draws from the posterior. Although generally applicable, MCMC requires thousands (or even millions) of evaluations of the physics model η(⋅). This requirement is problematic if the model takes hours or days to evaluate. To overcome this computational bottleneck, we present an approach adapted from Bayesian model calibration. This approach combines output from an ensemble of computational model runs with physical measurements, within a statistical formulation, to carry out inference. A key component of this approach is a statistical response surface, or emulator, estimated from the ensemble of model runs. We demonstrate this approach with a case study in estimating parameters for a density functional theory model, using experimental mass/binding energy measurements from a collection of atomic nuclei. We also demonstrate how this approach produces uncertainties in predictions for recent mass measurements obtained at Argonne National Laboratory. (paper)
Wang, Chu-Fu; Lin, Chih-Lung; Deng, Jien-Han
2012-01-01
Testing is an important stage of teaching as it can assist teachers in auditing students' learning results. A good test is able to accurately reflect the capability of a learner. Nowadays, Computer-Assisted Testing (CAT) is greatly improving traditional testing, since computers can automatically and quickly compose a proper test sheet to meet user…
A computational approach to animal breeding.
Berger-Wolf, Tanya Y; Moore, Cristopher; Saia, Jared
2007-02-07
We propose a computational model of mating strategies for controlled animal breeding programs. A mating strategy in a controlled breeding program is a heuristic with some optimization criteria as a goal. Thus, it is appropriate to use the computational tools available for analysis of optimization heuristics. In this paper, we propose the first discrete model of the controlled animal breeding problem and analyse heuristics for two possible objectives: (1) breeding for maximum diversity and (2) breeding a target individual. These two goals are representative of conservation biology and agricultural livestock management, respectively. We evaluate several mating strategies and provide upper and lower bounds for the expected number of matings. While the population parameters may vary and can change the actual number of matings for a particular strategy, the order of magnitude of the number of expected matings and the relative competitiveness of the mating heuristics remains the same. Thus, our simple discrete model of the animal breeding problem provides a novel viable and robust approach to designing and comparing breeding strategies in captive populations.
Computation within the auxiliary field approach
International Nuclear Information System (INIS)
Baeurle, S.A.
2003-01-01
Recently, the classical auxiliary field methodology has been developed as a new simulation technique for performing calculations within the framework of classical statistical mechanics. Since the approach suffers from a sign problem, a judicious choice of the sampling algorithm, allowing a fast statistical convergence and an efficient generation of field configurations, is of fundamental importance for a successful simulation. In this paper we focus on the computational aspects of this simulation methodology. We introduce two different types of algorithms, the single-move auxiliary field Metropolis Monte Carlo algorithm and two new classes of force-based algorithms, which enable multiple-move propagation. In addition, to further optimize the sampling, we describe a preconditioning scheme, which permits to treat each field degree of freedom individually with regard to the evolution through the auxiliary field configuration space. Finally, we demonstrate the validity and assess the competitiveness of these algorithms on a representative practical example. We believe that they may also provide an interesting possibility for enhancing the computational efficiency of other auxiliary field methodologies
Probabilistic Damage Characterization Using the Computationally-Efficient Bayesian Approach
Warner, James E.; Hochhalter, Jacob D.
2016-01-01
This work presents a computationally-ecient approach for damage determination that quanti es uncertainty in the provided diagnosis. Given strain sensor data that are polluted with measurement errors, Bayesian inference is used to estimate the location, size, and orientation of damage. This approach uses Bayes' Theorem to combine any prior knowledge an analyst may have about the nature of the damage with information provided implicitly by the strain sensor data to form a posterior probability distribution over possible damage states. The unknown damage parameters are then estimated based on samples drawn numerically from this distribution using a Markov Chain Monte Carlo (MCMC) sampling algorithm. Several modi cations are made to the traditional Bayesian inference approach to provide signi cant computational speedup. First, an ecient surrogate model is constructed using sparse grid interpolation to replace a costly nite element model that must otherwise be evaluated for each sample drawn with MCMC. Next, the standard Bayesian posterior distribution is modi ed using a weighted likelihood formulation, which is shown to improve the convergence of the sampling process. Finally, a robust MCMC algorithm, Delayed Rejection Adaptive Metropolis (DRAM), is adopted to sample the probability distribution more eciently. Numerical examples demonstrate that the proposed framework e ectively provides damage estimates with uncertainty quanti cation and can yield orders of magnitude speedup over standard Bayesian approaches.
An optimization approach for fitting canonical tensor decompositions.
Energy Technology Data Exchange (ETDEWEB)
Dunlavy, Daniel M. (Sandia National Laboratories, Albuquerque, NM); Acar, Evrim; Kolda, Tamara Gibson
2009-02-01
Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methods have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.
Adeshina, A M; Hashim, R
2017-03-01
Diagnostic radiology is a core and integral part of modern medicine, paving ways for the primary care physicians in the disease diagnoses, treatments and therapy managements. Obviously, all recent standard healthcare procedures have immensely benefitted from the contemporary information technology revolutions, apparently revolutionizing those approaches to acquiring, storing and sharing of diagnostic data for efficient and timely diagnosis of diseases. Connected health network was introduced as an alternative to the ageing traditional concept in healthcare system, improving hospital-physician connectivity and clinical collaborations. Undoubtedly, the modern medicinal approach has drastically improved healthcare but at the expense of high computational cost and possible breach of diagnosis privacy. Consequently, a number of cryptographical techniques are recently being applied to clinical applications, but the challenges of not being able to successfully encrypt both the image and the textual data persist. Furthermore, processing time of encryption-decryption of medical datasets, within a considerable lower computational cost without jeopardizing the required security strength of the encryption algorithm, still remains as an outstanding issue. This study proposes a secured radiology-diagnostic data framework for connected health network using high-performance GPU-accelerated Advanced Encryption Standard. The study was evaluated with radiology image datasets consisting of brain MR and CT datasets obtained from the department of Surgery, University of North Carolina, USA, and the Swedish National Infrastructure for Computing. Sample patients' notes from the University of North Carolina, School of medicine at Chapel Hill were also used to evaluate the framework for its strength in encrypting-decrypting textual data in the form of medical report. Significantly, the framework is not only able to accurately encrypt and decrypt medical image datasets, but it also
Directory of Open Access Journals (Sweden)
Sergei L Kosakovsky Pond
2009-11-01
Full Text Available Genetically diverse pathogens (such as Human Immunodeficiency virus type 1, HIV-1 are frequently stratified into phylogenetically or immunologically defined subtypes for classification purposes. Computational identification of such subtypes is helpful in surveillance, epidemiological analysis and detection of novel variants, e.g., circulating recombinant forms in HIV-1. A number of conceptually and technically different techniques have been proposed for determining the subtype of a query sequence, but there is not a universally optimal approach. We present a model-based phylogenetic method for automatically subtyping an HIV-1 (or other viral or bacterial sequence, mapping the location of breakpoints and assigning parental sequences in recombinant strains as well as computing confidence levels for the inferred quantities. Our Subtype Classification Using Evolutionary ALgorithms (SCUEAL procedure is shown to perform very well in a variety of simulation scenarios, runs in parallel when multiple sequences are being screened, and matches or exceeds the performance of existing approaches on typical empirical cases. We applied SCUEAL to all available polymerase (pol sequences from two large databases, the Stanford Drug Resistance database and the UK HIV Drug Resistance Database. Comparing with subtypes which had previously been assigned revealed that a minor but substantial (approximately 5% fraction of pure subtype sequences may in fact be within- or inter-subtype recombinants. A free implementation of SCUEAL is provided as a module for the HyPhy package and the Datamonkey web server. Our method is especially useful when an accurate automatic classification of an unknown strain is desired, and is positioned to complement and extend faster but less accurate methods. Given the increasingly frequent use of HIV subtype information in studies focusing on the effect of subtype on treatment, clinical outcome, pathogenicity and vaccine design, the importance
Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten; Asta, Mark; Fornari, Marco; Nardelli, Marco Buongiorno; Curtarolo, Stefano
2017-10-01
One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodology, which affect the discovery rate of novel materials with ad-hoc properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis, it solves the Boltzmann transport equation to obtain , and allows a fully integrated operation with minimum user intervention, a rational addition to the current high-throughput accelerated materials development framework AFLOW. An "experiment vs. theory" study of the approach is shown, comparing accuracy and speed with respect to other available packages, and for materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements.
Computer and Internet Addiction: Analysis and Classification of Approaches
Directory of Open Access Journals (Sweden)
Zaretskaya O.V.
2017-08-01
Full Text Available The theoretical analysis of modern research works on the problem of computer and Internet addiction is carried out. The main features of different approaches are outlined. The attempt is made to systematize researches conducted and to classify scientific approaches to the problem of Internet addiction. The author distinguishes nosological, cognitive-behavioral, socio-psychological and dialectical approaches. She justifies the need to use an approach that corresponds to the essence, goals and tasks of social psychology in the field of research as the problem of Internet addiction, and the dependent behavior in general. In the opinion of the author, this dialectical approach integrates the experience of research within the framework of the socio-psychological approach and focuses on the observed inconsistencies in the phenomenon of Internet addiction – the compensatory nature of Internet activity, when people who are interested in the Internet are in a dysfunctional life situation.
Computational Approaches for Prediction of Pathogen-Host Protein-Protein Interactions
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Esmaeil eNourani
2015-02-01
Full Text Available Infectious diseases are still among the major and prevalent health problems, mostly because of the drug resistance of novel variants of pathogens. Molecular interactions between pathogens and their hosts are the key part of the infection mechanisms. Novel antimicrobial therapeutics to fight drug resistance is only possible in case of a thorough understanding of pathogen-host interaction (PHI systems. Existing databases, which contain experimentally verified PHI data, suffer from scarcity of reported interactions due to the technically challenging and time consuming process of experiments. This has motivated many researchers to address the problem by proposing computational approaches for analysis and prediction of PHIs. The computational methods primarily utilize sequence information, protein structure and known interactions. Classic machine learning techniques are used when there are sufficient known interactions to be used as training data. On the opposite case, transfer and multi task learning methods are preferred. Here, we present an overview of these computational approaches for PHI prediction, discussing their weakness and abilities, with future directions.
A modular approach to numerical human body modeling
Forbes, P.A.; Griotto, G.; Rooij, L. van
2007-01-01
The choice of a human body model for a simulated automotive impact scenario must take into account both accurate model response and computational efficiency as key factors. This study presents a "modular numerical human body modeling" approach which allows the creation of a customized human body
An Approach for Indoor Path Computation among Obstacles that Considers User Dimension
Directory of Open Access Journals (Sweden)
Liu Liu
2015-12-01
Full Text Available People often transport objects within indoor environments, who need enough space for the motion. In such cases, the accessibility of indoor spaces relies on the dimensions, which includes a person and her/his operated objects. This paper proposes a new approach to avoid obstacles and compute indoor paths with respect to the user dimension. The approach excludes inaccessible spaces for a user in five steps: (1 compute the minimum distance between obstacles and find the inaccessible gaps; (2 group obstacles according to the inaccessible gaps; (3 identify groups of obstacles that influence the path between two locations; (4 compute boundaries for the selected groups; and (5 build a network in the accessible area around the obstacles in the room. Compared to the Minkowski sum method for outlining inaccessible spaces, the proposed approach generates simpler polygons for groups of obstacles that do not contain inner rings. The creation of a navigation network becomes easier based on these simple polygons. By using this approach, we can create user- and task-specific networks in advance. Alternatively, the accessible path can be generated on the fly before the user enters a room.
A Crisis Management Approach To Mission Survivability In Computational Multi-Agent Systems
Directory of Open Access Journals (Sweden)
Aleksander Byrski
2010-01-01
Full Text Available In this paper we present a biologically-inspired approach for mission survivability (consideredas the capability of fulfilling a task such as computation that allows the system to be aware ofthe possible threats or crises that may arise. This approach uses the notion of resources usedby living organisms to control their populations.We present the concept of energetic selectionin agent-based evolutionary systems as well as the means to manipulate the configuration ofthe computation according to the crises or user’s specific demands.
Accurate quantum chemical calculations
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
A New Approach to Practical Active-Secure Two-Party Computation
DEFF Research Database (Denmark)
Nielsen, Jesper Buus; Nordholt, Peter Sebastian; Orlandi, Claudio
2012-01-01
We propose a new approach to practical two-party computation secure against an active adversary. All prior practical protocols were based on Yao’s garbled circuits. We use an OT-based approach and get efficiency via OT extension in the random oracle model. To get a practical protocol we introduce...... a number of novel techniques for relating the outputs and inputs of OTs in a larger construction....
International Nuclear Information System (INIS)
Fazlollahtabar, Hamed; Saidi-Mehrabad, Mohammad; Balakrishnan, Jaydeep
2015-01-01
This paper proposes an integrated Markovian and back propagation neural network approaches to compute reliability of a system. While states of failure occurrences are significant elements for accurate reliability computation, Markovian based reliability assessment method is designed. Due to drawbacks shown by Markovian model for steady state reliability computations and neural network for initial training pattern, integration being called Markov-neural is developed and evaluated. To show efficiency of the proposed approach comparative analyses are performed. Also, for managerial implication purpose an application case for multiple automated guided vehicles (AGVs) in manufacturing networks is conducted. - Highlights: • Integrated Markovian and back propagation neural network approach to compute reliability. • Markovian based reliability assessment method. • Managerial implication is shown in an application case for multiple automated guided vehicles (AGVs) in manufacturing networks
Directory of Open Access Journals (Sweden)
Anna Gardeli
2017-11-01
Full Text Available Ongoing research is being conducted on appropriate course design, practices and teacher interventions for improving the efficiency of computer science and programming courses in K-12 education. The trend is towards a more constructivist problem-based learning approach. Computational thinking, which refers to formulating and solving problems in a form that can be efficiently processed by a computer, raises an important educational challenge. Our research aims to explore possible ways of enriching computer science teaching with a focus on development of computational thinking. We have prepared and evaluated a learning intervention for introducing computer programming to children between 10 and 14 years old; this involves students working in groups to program the behavior of the computer player of a well-known game. The programming process is split into two parts. First, students design a high-level version of their algorithm during an ‘unplugged’ pen & paper phase, and then they encode their solution as an executable program in a visual programming environment. Encouraging evaluation results have been achieved regarding the educational and motivational value of the proposed approach.
Data science in R a case studies approach to computational reasoning and problem solving
Nolan, Deborah
2015-01-01
Effectively Access, Transform, Manipulate, Visualize, and Reason about Data and ComputationData Science in R: A Case Studies Approach to Computational Reasoning and Problem Solving illustrates the details involved in solving real computational problems encountered in data analysis. It reveals the dynamic and iterative process by which data analysts approach a problem and reason about different ways of implementing solutions. The book's collection of projects, comprehensive sample solutions, and follow-up exercises encompass practical topics pertaining to data processing, including: Non-standar
Computational approaches to analogical reasoning current trends
Richard, Gilles
2014-01-01
Analogical reasoning is known as a powerful mode for drawing plausible conclusions and solving problems. It has been the topic of a huge number of works by philosophers, anthropologists, linguists, psychologists, and computer scientists. As such, it has been early studied in artificial intelligence, with a particular renewal of interest in the last decade. The present volume provides a structured view of current research trends on computational approaches to analogical reasoning. It starts with an overview of the field, with an extensive bibliography. The 14 collected contributions cover a large scope of issues. First, the use of analogical proportions and analogies is explained and discussed in various natural language processing problems, as well as in automated deduction. Then, different formal frameworks for handling analogies are presented, dealing with case-based reasoning, heuristic-driven theory projection, commonsense reasoning about incomplete rule bases, logical proportions induced by similarity an...
Mathematics of shape description a morphological approach to image processing and computer graphics
Ghosh, Pijush K
2009-01-01
Image processing problems are often not well defined because real images are contaminated with noise and other uncertain factors. In Mathematics of Shape Description, the authors take a mathematical approach to address these problems using the morphological and set-theoretic approach to image processing and computer graphics by presenting a simple shape model using two basic shape operators called Minkowski addition and decomposition. This book is ideal for professional researchers and engineers in Information Processing, Image Measurement, Shape Description, Shape Representation and Computer Graphics. Post-graduate and advanced undergraduate students in pure and applied mathematics, computer sciences, robotics and engineering will also benefit from this book. Key FeaturesExplains the fundamental and advanced relationships between algebraic system and shape description through the set-theoretic approachPromotes interaction of image processing geochronology and mathematics in the field of algebraic geometryP...
Fan, Tingbo; Liu, Zhenbo; Chen, Tao; Li, Faqi; Zhang, Dong
2011-09-01
In this work, the authors propose a modeling approach to compute the nonlinear acoustic field generated by a flat piston transmitter with an attached aluminum lens. In this approach, the geometrical parameters (radius and focal length) of a virtual source are initially determined by Snell's refraction law and then adjusted based on the Rayleigh integral result in the linear case. Then, this virtual source is used with the nonlinear spheroidal beam equation (SBE) model to predict the nonlinear acoustic field in the focal region. To examine the validity of this approach, the calculated nonlinear result is compared with those from the Westervelt and (Khokhlov-Zabolotskaya-Kuznetsov) KZK equations for a focal intensity of 7 kW/cm(2). Results indicate that this approach could accurately describe the nonlinear acoustic field in the focal region with less computation time. The proposed modeling approach is shown to accurately describe the nonlinear acoustic field in the focal region. Compared with the Westervelt equation, the computation time of this approach is significantly reduced. It might also be applicable for the widely used concave focused transmitter with a large aperture angle.
Cloud computing approaches to accelerate drug discovery value chain.
Garg, Vibhav; Arora, Suchir; Gupta, Chitra
2011-12-01
Continued advancements in the area of technology have helped high throughput screening (HTS) evolve from a linear to parallel approach by performing system level screening. Advanced experimental methods used for HTS at various steps of drug discovery (i.e. target identification, target validation, lead identification and lead validation) can generate data of the order of terabytes. As a consequence, there is pressing need to store, manage, mine and analyze this data to identify informational tags. This need is again posing challenges to computer scientists to offer the matching hardware and software infrastructure, while managing the varying degree of desired computational power. Therefore, the potential of "On-Demand Hardware" and "Software as a Service (SAAS)" delivery mechanisms cannot be denied. This on-demand computing, largely referred to as Cloud Computing, is now transforming the drug discovery research. Also, integration of Cloud computing with parallel computing is certainly expanding its footprint in the life sciences community. The speed, efficiency and cost effectiveness have made cloud computing a 'good to have tool' for researchers, providing them significant flexibility, allowing them to focus on the 'what' of science and not the 'how'. Once reached to its maturity, Discovery-Cloud would fit best to manage drug discovery and clinical development data, generated using advanced HTS techniques, hence supporting the vision of personalized medicine.
Directory of Open Access Journals (Sweden)
Jolly Emmitt R
2005-11-01
Full Text Available Abstract Background A major challenge in computational genomics is the development of methodologies that allow accurate genome-wide prediction of the regulatory targets of a transcription factor. We present a method for target identification that combines experimental characterization of binding requirements with computational genomic analysis. Results Our method identified potential target genes of the transcription factor Ndt80, a key transcriptional regulator involved in yeast sporulation, using the combined information of binding affinity, positional distribution, and conservation of the binding sites across multiple species. We have also developed a mathematical approach to compute the false positive rate and the total number of targets in the genome based on the multiple selection criteria. Conclusion We have shown that combining biochemical characterization and computational genomic analysis leads to accurate identification of the genome-wide targets of a transcription factor. The method can be extended to other transcription factors and can complement other genomic approaches to transcriptional regulation.
Lee, Y. C.; Thompson, H. M.; Gaskell, P. H.
2009-12-01
FILMPAR is a highly efficient and portable parallel multigrid algorithm for solving a discretised form of the lubrication approximation to three-dimensional, gravity-driven, continuous thin film free-surface flow over substrates containing micro-scale topography. While generally applicable to problems involving heterogeneous and distributed features, for illustrative purposes the algorithm is benchmarked on a distributed memory IBM BlueGene/P computing platform for the case of flow over a single trench topography, enabling direct comparison with complementary experimental data and existing serial multigrid solutions. Parallel performance is assessed as a function of the number of processors employed and shown to lead to super-linear behaviour for the production of mesh-independent solutions. In addition, the approach is used to solve for the case of flow over a complex inter-connected topographical feature and a description provided of how FILMPAR could be adapted relatively simply to solve for a wider class of related thin film flow problems. Program summaryProgram title: FILMPAR Catalogue identifier: AEEL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 530 421 No. of bytes in distributed program, including test data, etc.: 1 960 313 Distribution format: tar.gz Programming language: C++ and MPI Computer: Desktop, server Operating system: Unix/Linux Mac OS X Has the code been vectorised or parallelised?: Yes. Tested with up to 128 processors RAM: 512 MBytes Classification: 12 External routines: GNU C/C++, MPI Nature of problem: Thin film flows over functional substrates containing well-defined single and complex topographical features are of enormous significance, having a wide variety of engineering
Estrada, T; Zhang, B; Cicotti, P; Armen, R S; Taufer, M
2012-07-01
We present a scalable and accurate method for classifying protein-ligand binding geometries in molecular docking. Our method is a three-step process: the first step encodes the geometry of a three-dimensional (3D) ligand conformation into a single 3D point in the space; the second step builds an octree by assigning an octant identifier to every single point in the space under consideration; and the third step performs an octree-based clustering on the reduced conformation space and identifies the most dense octant. We adapt our method for MapReduce and implement it in Hadoop. The load-balancing, fault-tolerance, and scalability in MapReduce allow screening of very large conformation spaces not approachable with traditional clustering methods. We analyze results for docking trials for 23 protein-ligand complexes for HIV protease, 21 protein-ligand complexes for Trypsin, and 12 protein-ligand complexes for P38alpha kinase. We also analyze cross docking trials for 24 ligands, each docking into 24 protein conformations of the HIV protease, and receptor ensemble docking trials for 24 ligands, each docking in a pool of HIV protease receptors. Our method demonstrates significant improvement over energy-only scoring for the accurate identification of native ligand geometries in all these docking assessments. The advantages of our clustering approach make it attractive for complex applications in real-world drug design efforts. We demonstrate that our method is particularly useful for clustering docking results using a minimal ensemble of representative protein conformational states (receptor ensemble docking), which is now a common strategy to address protein flexibility in molecular docking. Copyright © 2012 Elsevier Ltd. All rights reserved.
Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph A; Lundström, Patrik
2015-01-01
The process of resonance assignment is fundamental to most NMR studies of protein structure and dynamics. Unfortunately, the manual assignment of residues is tedious and time-consuming, and can represent a significant bottleneck for further characterization. Furthermore, while automated approaches have been developed, they are often limited in their accuracy, particularly for larger proteins. Here, we address this by introducing the software COMPASS, which, by combining automated resonance assignment with manual intervention, is able to achieve accuracy approaching that from manual assignments at greatly accelerated speeds. Moreover, by including the option to compensate for isotope shift effects in deuterated proteins, COMPASS is far more accurate for larger proteins than existing automated methods. COMPASS is an open-source project licensed under GNU General Public License and is available for download from http://www.liu.se/forskning/foass/tidigare-foass/patrik-lundstrom/software?l=en. Source code and binaries for Linux, Mac OS X and Microsoft Windows are available.
Directory of Open Access Journals (Sweden)
Markus Niklasson
2015-01-01
Full Text Available The process of resonance assignment is fundamental to most NMR studies of protein structure and dynamics. Unfortunately, the manual assignment of residues is tedious and time-consuming, and can represent a significant bottleneck for further characterization. Furthermore, while automated approaches have been developed, they are often limited in their accuracy, particularly for larger proteins. Here, we address this by introducing the software COMPASS, which, by combining automated resonance assignment with manual intervention, is able to achieve accuracy approaching that from manual assignments at greatly accelerated speeds. Moreover, by including the option to compensate for isotope shift effects in deuterated proteins, COMPASS is far more accurate for larger proteins than existing automated methods. COMPASS is an open-source project licensed under GNU General Public License and is available for download from http://www.liu.se/forskning/foass/tidigare-foass/patrik-lundstrom/software?l=en. Source code and binaries for Linux, Mac OS X and Microsoft Windows are available.
Energy Technology Data Exchange (ETDEWEB)
Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it [Dipartimento di Scienze Chimiche e Famaceutiche, Universita di Ferrara, Via Fossato di Mortara 17, I-44121 Ferrara (Italy)
2016-03-14
The present work describes a new method to compute accurate spin densities for open shell systems. The proposed approach follows two steps: first, it provides molecular orbitals which correctly take into account the spin delocalization; second, a proper CI treatment allows to account for the spin polarization effect while keeping a restricted formalism and avoiding spin contamination. The main idea of the optimization procedure is based on the orbital relaxation of the various charge transfer determinants responsible for the spin delocalization. The algorithm is tested and compared to other existing methods on a series of organic and inorganic open shell systems. The results reported here show that the new approach (almost black-box) provides accurate spin densities at a reasonable computational cost making it suitable for a systematic study of open shell systems.
A new approach in development of data flow control and investigation system for computer networks
International Nuclear Information System (INIS)
Frolov, I.; Vaguine, A.; Silin, A.
1992-01-01
This paper describes a new approach in development of data flow control and investigation system for computer networks. This approach was developed and applied in the Moscow Radiotechnical Institute for control and investigations of Institute computer network. It allowed us to solve our network current problems successfully. Description of our approach is represented below along with the most interesting results of our work. (author)
Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.
Montalvo-Acosta, Joel José; Cecchini, Marco
2016-12-01
The physiological role played by protein-ligand recognition has motivated the development of several computational approaches to the ligand binding affinity. Some of them, termed rigorous, have a strong theoretical foundation but involve too much computation to be generally useful. Some others alleviate the computational burden by introducing strong approximations and/or empirical calibrations, which also limit their general use. Most importantly, there is no straightforward correlation between the predictive power and the level of approximation introduced. Here, we present a general framework for the quantitative interpretation of protein-ligand binding based on statistical mechanics. Within this framework, we re-derive self-consistently the fundamental equations of some popular approaches to the binding constant and pinpoint the inherent approximations. Our analysis represents a first step towards the development of variants with optimum accuracy/efficiency ratio for each stage of the drug discovery pipeline. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Directory of Open Access Journals (Sweden)
Theodore D. Katsilieris
2017-03-01
Full Text Available The terrestrial optical wireless communication links have attracted significant research and commercial worldwide interest over the last few years due to the fact that they offer very high and secure data rate transmission with relatively low installation and operational costs, and without need of licensing. However, since the propagation path of the information signal, i.e., the laser beam, is the atmosphere, their effectivity affects the atmospheric conditions strongly in the specific area. Thus, system performance depends significantly on the rain, the fog, the hail, the atmospheric turbulence, etc. Due to the influence of these effects, it is necessary to study, theoretically and numerically, very carefully before the installation of such a communication system. In this work, we present exactly and accurately approximate mathematical expressions for the estimation of the average capacity and the outage probability performance metrics, as functions of the link’s parameters, the transmitted power, the attenuation due to the fog, the ambient noise and the atmospheric turbulence phenomenon. The latter causes the scintillation effect, which results in random and fast fluctuations of the irradiance at the receiver’s end. These fluctuations can be studied accurately with statistical methods. Thus, in this work, we use either the lognormal or the gamma–gamma distribution for weak or moderate to strong turbulence conditions, respectively. Moreover, using the derived mathematical expressions, we design, accomplish and present a computational tool for the estimation of these systems’ performances, while also taking into account the parameter of the link and the atmospheric conditions. Furthermore, in order to increase the accuracy of the presented tool, for the cases where the obtained analytical mathematical expressions are complex, the performance results are verified with the numerical estimation of the appropriate integrals. Finally, using
Approach to Computer Implementation of Mathematical Model of 3-Phase Induction Motor
Pustovetov, M. Yu
2018-03-01
This article discusses the development of the computer model of an induction motor based on the mathematical model in a three-phase stator reference frame. It uses an approach that allows combining during preparation of the computer model dual methods: means of visual programming circuitry (in the form of electrical schematics) and logical one (in the form of block diagrams). The approach enables easy integration of the model of an induction motor as part of more complex models of electrical complexes and systems. The developed computer model gives the user access to the beginning and the end of a winding of each of the three phases of the stator and rotor. This property is particularly important when considering the asymmetric modes of operation or when powered by the special circuitry of semiconductor converters.
Approach and tool for computer animation of fields in electrical apparatus
International Nuclear Information System (INIS)
Miltchev, Radoslav; Yatchev, Ivan S.; Ritchie, Ewen
2002-01-01
The paper presents a technical approach and post-processing tool for creating and displaying computer animation. The approach enables handling of two- and three-dimensional physical field phenomena results obtained from finite element software or to display movement processes in electrical apparatus simulations. The main goal of this work is to extend auxiliary features built in general-purpose CAD software working in the Windows environment. Different storage techniques were examined and the one employing image capturing was chosen. The developed tool provides benefits of independent visualisation, creating scenarios and facilities for exporting animations in common file fon-nats for distribution on different computer platforms. It also provides a valuable educational tool.(Author)
Efficient and Accurate Computational Framework for Injector Design and Analysis, Phase I
National Aeronautics and Space Administration — CFD codes used to simulate upper stage expander cycle engines are not adequately mature to support design efforts. Rapid and accurate simulations require more...
Magic Pointing for Eyewear Computers
DEFF Research Database (Denmark)
Jalaliniya, Shahram; Mardanbegi, Diako; Pederson, Thomas
2015-01-01
In this paper, we propose a combination of head and eye movements for touchlessly controlling the "mouse pointer" on eyewear devices, exploiting the speed of eye pointing and accuracy of head pointing. The method is a wearable computer-targeted variation of the original MAGIC pointing approach...... which combined gaze tracking with a classical mouse device. The result of our experiment shows that the combination of eye and head movements is faster than head pointing for far targets and more accurate than eye pointing....
International Nuclear Information System (INIS)
Motomura, Kazuyoshi; Sumino, Hiroshi; Noguchi, Atsushi; Horinouchi, Takashi; Nakanishi, Katsuyuki
2013-01-01
Sentinel node biopsy often results in the identification and removal of multiple nodes as sentinel nodes, although most of these nodes could be non-sentinel nodes. This study investigated whether computed tomography-lymphography (CT-LG) can distinguish sentinel nodes from non-sentinel nodes and whether sentinel nodes identified by CT-LG can accurately stage the axilla in patients with breast cancer. This study included 184 patients with breast cancer and clinically negative nodes. Contrast agent was injected interstitially. The location of sentinel nodes was marked on the skin surface using a CT laser light navigator system. Lymph nodes located just under the marks were first removed as sentinel nodes. Then, all dyed nodes or all hot nodes were removed. The mean number of sentinel nodes identified by CT-LG was significantly lower than that of dyed and/or hot nodes removed (1.1 vs 1.8, p <0.0001). Twenty-three (12.5%) patients had ≥2 sentinel nodes identified by CT-LG removed, whereas 94 (51.1%) of patients had ≥2 dyed and/or hot nodes removed (p <0.0001). Pathological evaluation demonstrated that 47 (25.5%) of 184 patients had metastasis to at least one node. All 47 patients demonstrated metastases to at least one of the sentinel nodes identified by CT-LG. CT-LG can distinguish sentinel nodes from non-sentinel nodes, and sentinel nodes identified by CT-LG can accurately stage the axilla in patients with breast cancer. Successful identification of sentinel nodes using CT-LG may facilitate image-based diagnosis of metastasis, possibly leading to the omission of sentinel node biopsy
A new stereotactic apparatus guided by computed tomography
International Nuclear Information System (INIS)
Huk, W.J.
1981-01-01
The accurate information provided by computer tomography about existence, shape, and localization of intracranial neoplasms in an early phase and in inaccessible regions have improved the diagnostics greatly, so that these lie far ahead of the therapeutic possibilities for brain tumors. To reduce this wide margin we have developed a new targeting device which makes a stereotactic approach to central lesions under sight-control by computed tomography within the computed tomography-scanner possible. With the help of this simple device we are now able to perform stereotactic procedures for tumor biopsy guided by computed tomography, needling and drainage of abscesses and cysts, and finally for the implantation of radioactive material for the interstitial radiotherapy of inoperable cysts and tumors. (orig.) [de
Zhuo, Zhao; Cai, Shi-Min; Tang, Ming; Lai, Ying-Cheng
2018-04-01
One of the most challenging problems in network science is to accurately detect communities at distinct hierarchical scales. Most existing methods are based on structural analysis and manipulation, which are NP-hard. We articulate an alternative, dynamical evolution-based approach to the problem. The basic principle is to computationally implement a nonlinear dynamical process on all nodes in the network with a general coupling scheme, creating a networked dynamical system. Under a proper system setting and with an adjustable control parameter, the community structure of the network would "come out" or emerge naturally from the dynamical evolution of the system. As the control parameter is systematically varied, the community hierarchies at different scales can be revealed. As a concrete example of this general principle, we exploit clustered synchronization as a dynamical mechanism through which the hierarchical community structure can be uncovered. In particular, for quite arbitrary choices of the nonlinear nodal dynamics and coupling scheme, decreasing the coupling parameter from the global synchronization regime, in which the dynamical states of all nodes are perfectly synchronized, can lead to a weaker type of synchronization organized as clusters. We demonstrate the existence of optimal choices of the coupling parameter for which the synchronization clusters encode accurate information about the hierarchical community structure of the network. We test and validate our method using a standard class of benchmark modular networks with two distinct hierarchies of communities and a number of empirical networks arising from the real world. Our method is computationally extremely efficient, eliminating completely the NP-hard difficulty associated with previous methods. The basic principle of exploiting dynamical evolution to uncover hidden community organizations at different scales represents a "game-change" type of approach to addressing the problem of community
Accurate position estimation methods based on electrical impedance tomography measurements
Vergara, Samuel; Sbarbaro, Daniel; Johansen, T. A.
2017-08-01
than 0.05% of the tomograph radius value. These results demonstrate that the proposed approaches can estimate an object’s position accurately based on EIT measurements if enough process information is available for training or modelling. Since they do not require complex calculations it is possible to use them in real-time applications without requiring high-performance computers.
Smith, Jordan Ned; Carver, Zana A; Weber, Thomas J; Timchalk, Charles
2017-06-01
A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with nonphysiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding were observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the 2 experimental conditions. In the nonphysiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than nonphysiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and simulated all transport experiments reasonably well using different permeability coefficients for the 2 experimental conditions (1.14 vs 0.4 cm/h for nonphysiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva, potentially increasing the utility of salivary biomonitoring in the future. © The Author 2017. Published by Oxford University Press on behalf of the Society of Toxicology. All rights
High accurate time system of the Low Latitude Meridian Circle.
Yang, Jing; Wang, Feng; Li, Zhiming
In order to obtain the high accurate time signal for the Low Latitude Meridian Circle (LLMC), a new GPS accurate time system is developed which include GPS, 1 MC frequency source and self-made clock system. The second signal of GPS is synchronously used in the clock system and information can be collected by a computer automatically. The difficulty of the cancellation of the time keeper can be overcomed by using this system.
Energy Technology Data Exchange (ETDEWEB)
Langer, Christoph; Lutz, M.; Kuehl, C.; Frey, N. [Christian-Albrechts-Universitaet Kiel, Department of Cardiology, Angiology and Critical Care Medicine, University Medical Center Schleswig-Holstein (Germany); Partner Site Hamburg/Kiel/Luebeck, DZHK (German Centre for Cardiovascular Research), Kiel (Germany); Both, M.; Sattler, B.; Jansen, O; Schaefer, P. [Christian-Albrechts-Universitaet Kiel, Department of Diagnostic Radiology, University Medical Center Schleswig-Holstein (Germany); Harders, H.; Eden, M. [Christian-Albrechts-Universitaet Kiel, Department of Cardiology, Angiology and Critical Care Medicine, University Medical Center Schleswig-Holstein (Germany)
2014-10-15
Late enhancement (LE) multi-slice computed tomography (leMDCT) was introduced for the visualization of (intra-) myocardial fibrosis in Hypertrophic Cardiomyopathy (HCM). LE is associated with adverse cardiac events. This analysis focuses on leMDCT derived LV muscle mass (LV-MM) which may be related to LE resulting in LE proportion for potential risk stratification in HCM. N=26 HCM-patients underwent leMDCT (64-slice-CT) and cardiovascular magnetic resonance (CMR). In leMDCT iodine contrast (Iopromid, 350 mg/mL; 150mL) was injected 7 minutes before imaging. Reconstructed short cardiac axis views served for planimetry. The study group was divided into three groups of varying LV-contrast. LeMDCT was correlated with CMR. The mean age was 64.2 ± 14 years. The groups of varying contrast differed in weight and body mass index (p < 0.05). In the group with good LV-contrast assessment of LV-MM resulted in 147.4 ± 64.8 g in leMDCT vs. 147.1 ± 65.9 in CMR (p > 0.05). In the group with sufficient contrast LV-MM appeared with 172 ± 30.8 g in leMDCT vs. 165.9 ± 37.8 in CMR (p > 0.05). Overall intra-/inter-observer variability of semiautomatic assessment of LV-MM showed an accuracy of 0.9 ± 8.6 g and 0.8 ± 9.2 g in leMDCT. All leMDCT-measures correlated well with CMR (r > 0.9). LeMDCT primarily performed for LE-visualization in HCM allows for accurate LV-volumetry including LV-MM in > 90 % of the cases. (orig.)
ceRNAs in plants: computational approaches and associated challenges for target mimic research.
Paschoal, Alexandre Rossi; Lozada-Chávez, Irma; Domingues, Douglas Silva; Stadler, Peter F
2017-05-30
The competing endogenous RNA hypothesis has gained increasing attention as a potential global regulatory mechanism of microRNAs (miRNAs), and as a powerful tool to predict the function of many noncoding RNAs, including miRNAs themselves. Most studies have been focused on animals, although target mimic (TMs) discovery as well as important computational and experimental advances has been developed in plants over the past decade. Thus, our contribution summarizes recent progresses in computational approaches for research of miRNA:TM interactions. We divided this article in three main contributions. First, a general overview of research on TMs in plants is presented with practical descriptions of the available literature, tools, data, databases and computational reports. Second, we describe a common protocol for the computational and experimental analyses of TM. Third, we provide a bioinformatics approach for the prediction of TM motifs potentially cross-targeting both members within the same or from different miRNA families, based on the identification of consensus miRNA-binding sites from known TMs across sequenced genomes, transcriptomes and known miRNAs. This computational approach is promising because, in contrast to animals, miRNA families in plants are large with identical or similar members, several of which are also highly conserved. From the three consensus TM motifs found with our approach: MIM166, MIM171 and MIM159/319, the last one has found strong support on the recent experimental work by Reichel and Millar [Specificity of plant microRNA TMs: cross-targeting of mir159 and mir319. J Plant Physiol 2015;180:45-8]. Finally, we stress the discussion on the major computational and associated experimental challenges that have to be faced in future ceRNA studies. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Targeted intervention: Computational approaches to elucidate and predict relapse in alcoholism.
Heinz, Andreas; Deserno, Lorenz; Zimmermann, Ulrich S; Smolka, Michael N; Beck, Anne; Schlagenhauf, Florian
2017-05-01
Alcohol use disorder (AUD) and addiction in general is characterized by failures of choice resulting in repeated drug intake despite severe negative consequences. Behavioral change is hard to accomplish and relapse after detoxification is common and can be promoted by consumption of small amounts of alcohol as well as exposure to alcohol-associated cues or stress. While those environmental factors contributing to relapse have long been identified, the underlying psychological and neurobiological mechanism on which those factors act are to date incompletely understood. Based on the reinforcing effects of drugs of abuse, animal experiments showed that drug, cue and stress exposure affect Pavlovian and instrumental learning processes, which can increase salience of drug cues and promote habitual drug intake. In humans, computational approaches can help to quantify changes in key learning mechanisms during the development and maintenance of alcohol dependence, e.g. by using sequential decision making in combination with computational modeling to elucidate individual differences in model-free versus more complex, model-based learning strategies and their neurobiological correlates such as prediction error signaling in fronto-striatal circuits. Computational models can also help to explain how alcohol-associated cues trigger relapse: mechanisms such as Pavlovian-to-Instrumental Transfer can quantify to which degree Pavlovian conditioned stimuli can facilitate approach behavior including alcohol seeking and intake. By using generative models of behavioral and neural data, computational approaches can help to quantify individual differences in psychophysiological mechanisms that underlie the development and maintenance of AUD and thus promote targeted intervention. Copyright © 2016 Elsevier Inc. All rights reserved.
A New Approach to Practical Active-Secure Two-Party Computation
DEFF Research Database (Denmark)
Nielsen, Jesper Buus; Nordholt, Peter Sebastian; Orlandi, Claudio
2011-01-01
We propose a new approach to practical two-party computation secure against an active adversary. All prior practical protocols were based on Yao's garbled circuits. We use an OT-based approach and get efficiency via OT extension in the random oracle model. To get a practical protocol we introduce...... a number of novel techniques for relating the outputs and inputs of OTs in a larger construction. We also report on an implementation of this approach, that shows that our protocol is more efficient than any previous one: For big enough circuits, we can evaluate more than 20000 Boolean gates per second...
Sharma, Vivek; Salwan, Richa; Sharma, P. N.; Gulati, Arvind
2017-01-01
Genome-wide studies of transcripts expression help in systematic monitoring of genes and allow targeting of candidate genes for future research. In contrast to relatively stable genomic data, the expression of genes is dynamic and regulated both at time and space level at different level in. The variation in the rate of translation is specific for each protein. Both the inherent nature of an mRNA molecule to be translated and the external environmental stimuli can affect the efficiency of the translation process. In biocontrol agents (BCAs), the molecular response at translational level may represents noise-like response of absolute transcript level and an adaptive response to physiological and pathological situations representing subset of mRNAs population actively translated in a cell. The molecular responses of biocontrol are complex and involve multistage regulation of number of genes. The use of high-throughput techniques has led to rapid increase in volume of transcriptomics data of Trichoderma. In general, almost half of the variations of transcriptome and protein level are due to translational control. Thus, studies are required to integrate raw information from different “omics” approaches for accurate depiction of translational response of BCAs in interaction with plants and plant pathogens. The studies on translational status of only active mRNAs bridging with proteome data will help in accurate characterization of only a subset of mRNAs actively engaged in translation. This review highlights the associated bottlenecks and use of state-of-the-art procedures in addressing the gap to accelerate future accomplishment of biocontrol mechanisms. PMID:28900417
Directory of Open Access Journals (Sweden)
S. Sofana Reka
2016-09-01
Full Text Available This paper proposes a cloud computing framework in smart grid environment by creating small integrated energy hub supporting real time computing for handling huge storage of data. A stochastic programming approach model is developed with cloud computing scheme for effective demand side management (DSM in smart grid. Simulation results are obtained using GUI interface and Gurobi optimizer in Matlab in order to reduce the electricity demand by creating energy networks in a smart hub approach.
Accurate computation of transfer maps from magnetic field data
International Nuclear Information System (INIS)
Venturini, Marco; Dragt, Alex J.
1999-01-01
Consider an arbitrary beamline magnet. Suppose one component (for example, the radial component) of the magnetic field is known on the surface of some imaginary cylinder coaxial to and contained within the magnet aperture. This information can be obtained either by direct measurement or by computation with the aid of some 3D electromagnetic code. Alternatively, suppose that the field harmonics have been measured by using a spinning coil. We describe how this information can be used to compute the exact transfer map for the beamline element. This transfer map takes into account all effects of real beamline elements including fringe-field, pseudo-multipole, and real multipole error effects. The method we describe automatically takes into account the smoothing properties of the Laplace-Green function. Consequently, it is robust against both measurement and electromagnetic code errors. As an illustration we apply the method to the field analysis of high-gradient interaction region quadrupoles in the Large Hadron Collider (LHC)
An efficient and accurate method for calculating nonlinear diffraction beam fields
Energy Technology Data Exchange (ETDEWEB)
Jeong, Hyun Jo; Cho, Sung Jong; Nam, Ki Woong; Lee, Jang Hyun [Division of Mechanical and Automotive Engineering, Wonkwang University, Iksan (Korea, Republic of)
2016-04-15
This study develops an efficient and accurate method for calculating nonlinear diffraction beam fields propagating in fluids or solids. The Westervelt equation and quasilinear theory, from which the integral solutions for the fundamental and second harmonics can be obtained, are first considered. A computationally efficient method is then developed using a multi-Gaussian beam (MGB) model that easily separates the diffraction effects from the plane wave solution. The MGB models provide accurate beam fields when compared with the integral solutions for a number of transmitter-receiver geometries. These models can also serve as fast, powerful modeling tools for many nonlinear acoustics applications, especially in making diffraction corrections for the nonlinearity parameter determination, because of their computational efficiency and accuracy.
Milman, Mark H
2005-12-01
Astrometric measurements using stellar interferometry rely on precise measurement of the central white light fringe to accurately obtain the optical pathlength difference of incoming starlight to the two arms of the interferometer. One standard approach to stellar interferometry uses a channeled spectrum to determine phases at a number of different wavelengths that are then converted to the pathlength delay. When throughput is low these channels are broadened to improve the signal-to-noise ratio. Ultimately the ability to use monochromatic models and algorithms in each of the channels to extract phase becomes problematic and knowledge of the spectrum must be incorporated to achieve the accuracies required of the astrometric measurements. To accomplish this an optimization problem is posed to estimate simultaneously the pathlength delay and spectrum of the source. Moreover, the nature of the parameterization of the spectrum that is introduced circumvents the need to solve directly for these parameters so that the optimization problem reduces to a scalar problem in just the pathlength delay variable. A number of examples are given to show the robustness of the approach.
Computing homography with RANSAC algorithm: a novel method of registration
Li, Xiaowei; Liu, Yue; Wang, Yongtian; Yan, Dayuan
2005-02-01
An AR (Augmented Reality) system can integrate computer-generated objects with the image sequences of real world scenes in either an off-line or a real-time way. Registration, or camera pose estimation, is one of the key techniques to determine its performance. The registration methods can be classified as model-based and move-matching. The former approach can accomplish relatively accurate registration results, but it requires the precise model of the scene, which is hard to be obtained. The latter approach carries out registration by computing the ego-motion of the camera. Because it does not require the prior-knowledge of the scene, its registration results sometimes turn out to be less accurate. When the model defined is as simple as a plane, a mixed method is introduced to take advantages of the virtues of the two methods mentioned above. Although unexpected objects often occlude this plane in an AR system, one can still try to detect corresponding points with a contract-expand method, while this will import erroneous correspondences. Computing homography with RANSAC algorithm is used to overcome such shortcomings. Using the robustly estimated homography resulted from RANSAC, the camera projective matrix can be recovered and thus registration is accomplished even when the markers are lost in the scene.
Accurate Holdup Calculations with Predictive Modeling & Data Integration
Energy Technology Data Exchange (ETDEWEB)
Azmy, Yousry [North Carolina State Univ., Raleigh, NC (United States). Dept. of Nuclear Engineering; Cacuci, Dan [Univ. of South Carolina, Columbia, SC (United States). Dept. of Mechanical Engineering
2017-04-03
Bayes’ Theorem, one must have a model y(x) that maps the state variables x (the solution in this case) to the measurements y. In this case, the unknown state variables are the configuration and composition of the heldup SNM. The measurements are the detector readings. Thus, the natural model is neutral-particle radiation transport where a wealth of computational tools exists for performing these simulations accurately and efficiently. The combination of predictive model and Bayesian inference forms the Data Integration with Modeled Predictions (DIMP) method that serves as foundation for this project. The cost functional describing the model-to-data misfit is computed via a norm created by the inverse of the covariance matrix of the model parameters and responses. Since the model y(x) for the holdup problem is nonlinear, a nonlinear optimization on Q is conducted via Newton-type iterative methods to find the optimal values of the model parameters x. This project comprised a collaboration between NC State University (NCSU), the University of South Carolina (USC), and Oak Ridge National Laboratory (ORNL). The project was originally proposed in seven main tasks with an eighth contingency task to be performed if time and funding permitted; in fact time did not permit commencement of the contingency task and it was not performed. The remaining tasks involved holdup analysis with gamma detection strategies and separately with neutrons based on coincidence counting. Early in the project, and upon consultation with experts in coincidence counting it became evident that this approach is not viable for holdup applications and this task was replaced with an alternative, but valuable investigation that was carried out by the USC partner. Nevertheless, the experimental 4 measurements at ORNL of both gamma and neutron sources for the purpose of constructing Detector Response Functions (DRFs) with the associated uncertainties were indeed completed.
Computing camera heading: A study
Zhang, John Jiaxiang
2000-08-01
An accurate estimate of the motion of a camera is a crucial first step for the 3D reconstruction of sites, objects, and buildings from video. Solutions to the camera heading problem can be readily applied to many areas, such as robotic navigation, surgical operation, video special effects, multimedia, and lately even in internet commerce. From image sequences of a real world scene, the problem is to calculate the directions of the camera translations. The presence of rotations makes this problem very hard. This is because rotations and translations can have similar effects on the images, and are thus hard to tell apart. However, the visual angles between the projection rays of point pairs are unaffected by rotations, and their changes over time contain sufficient information to determine the direction of camera translation. We developed a new formulation of the visual angle disparity approach, first introduced by Tomasi, to the camera heading problem. Our new derivation makes theoretical analysis possible. Most notably, a theorem is obtained that locates all possible singularities of the residual function for the underlying optimization problem. This allows identifying all computation trouble spots beforehand, and to design reliable and accurate computational optimization methods. A bootstrap-jackknife resampling method simultaneously reduces complexity and tolerates outliers well. Experiments with image sequences show accurate results when compared with the true camera motion as measured with mechanical devices.
Discovery and Development of ATP-Competitive mTOR Inhibitors Using Computational Approaches.
Luo, Yao; Wang, Ling
2017-11-16
The mammalian target of rapamycin (mTOR) is a central controller of cell growth, proliferation, metabolism, and angiogenesis. This protein is an attractive target for new anticancer drug development. Significant progress has been made in hit discovery, lead optimization, drug candidate development and determination of the three-dimensional (3D) structure of mTOR. Computational methods have been applied to accelerate the discovery and development of mTOR inhibitors helping to model the structure of mTOR, screen compound databases, uncover structure-activity relationship (SAR) and optimize the hits, mine the privileged fragments and design focused libraries. Besides, computational approaches were also applied to study protein-ligand interactions mechanisms and in natural product-driven drug discovery. Herein, we survey the most recent progress on the application of computational approaches to advance the discovery and development of compounds targeting mTOR. Future directions in the discovery of new mTOR inhibitors using computational methods are also discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Computer vision and machine learning with RGB-D sensors
Shao, Ling; Kohli, Pushmeet
2014-01-01
This book presents an interdisciplinary selection of cutting-edge research on RGB-D based computer vision. Features: discusses the calibration of color and depth cameras, the reduction of noise on depth maps and methods for capturing human performance in 3D; reviews a selection of applications which use RGB-D information to reconstruct human figures, evaluate energy consumption and obtain accurate action classification; presents an approach for 3D object retrieval and for the reconstruction of gas flow from multiple Kinect cameras; describes an RGB-D computer vision system designed to assist t
An integrated computational tool for precipitation simulation
Cao, W.; Zhang, F.; Chen, S.-L.; Zhang, C.; Chang, Y. A.
2011-07-01
Computer aided materials design is of increasing interest because the conventional approach solely relying on experimentation is no longer viable within the constraint of available resources. Modeling of microstructure and mechanical properties during precipitation plays a critical role in understanding the behavior of materials and thus accelerating the development of materials. Nevertheless, an integrated computational tool coupling reliable thermodynamic calculation, kinetic simulation, and property prediction of multi-component systems for industrial applications is rarely available. In this regard, we are developing a software package, PanPrecipitation, under the framework of integrated computational materials engineering to simulate precipitation kinetics. It is seamlessly integrated with the thermodynamic calculation engine, PanEngine, to obtain accurate thermodynamic properties and atomic mobility data necessary for precipitation simulation.
Directory of Open Access Journals (Sweden)
Cristian Toma
2013-01-01
Full Text Available This study presents wavelets-computational aspects of Sterian-realistic approach to uncertainty principle in high energy physics. According to this approach, one cannot make a device for the simultaneous measuring of the canonical conjugate variables in reciprocal Fourier spaces. However, such aspects regarding the use of conjugate Fourier spaces can be also noticed in quantum field theory, where the position representation of a quantum wave is replaced by momentum representation before computing the interaction in a certain point of space, at a certain moment of time. For this reason, certain properties regarding the switch from one representation to another in these conjugate Fourier spaces should be established. It is shown that the best results can be obtained using wavelets aspects and support macroscopic functions for computing (i wave-train nonlinear relativistic transformation, (ii reflection/refraction with a constant shift, (iii diffraction considered as interaction with a null phase shift without annihilation of associated wave, (iv deflection by external electromagnetic fields without phase loss, and (v annihilation of associated wave-train through fast and spatially extended phenomena according to uncertainty principle.
MRPack: Multi-Algorithm Execution Using Compute-Intensive Approach in MapReduce
2015-01-01
Large quantities of data have been generated from multiple sources at exponential rates in the last few years. These data are generated at high velocity as real time and streaming data in variety of formats. These characteristics give rise to challenges in its modeling, computation, and processing. Hadoop MapReduce (MR) is a well known data-intensive distributed processing framework using the distributed file system (DFS) for Big Data. Current implementations of MR only support execution of a single algorithm in the entire Hadoop cluster. In this paper, we propose MapReducePack (MRPack), a variation of MR that supports execution of a set of related algorithms in a single MR job. We exploit the computational capability of a cluster by increasing the compute-intensiveness of MapReduce while maintaining its data-intensive approach. It uses the available computing resources by dynamically managing the task assignment and intermediate data. Intermediate data from multiple algorithms are managed using multi-key and skew mitigation strategies. The performance study of the proposed system shows that it is time, I/O, and memory efficient compared to the default MapReduce. The proposed approach reduces the execution time by 200% with an approximate 50% decrease in I/O cost. Complexity and qualitative results analysis shows significant performance improvement. PMID:26305223
Crowell, Andrew Rippetoe
This dissertation describes model reduction techniques for the computation of aerodynamic heat flux and pressure loads for multi-disciplinary analysis of hypersonic vehicles. NASA and the Department of Defense have expressed renewed interest in the development of responsive, reusable hypersonic cruise vehicles capable of sustained high-speed flight and access to space. However, an extensive set of technical challenges have obstructed the development of such vehicles. These technical challenges are partially due to both the inability to accurately test scaled vehicles in wind tunnels and to the time intensive nature of high-fidelity computational modeling, particularly for the fluid using Computational Fluid Dynamics (CFD). The aim of this dissertation is to develop efficient and accurate models for the aerodynamic heat flux and pressure loads to replace the need for computationally expensive, high-fidelity CFD during coupled analysis. Furthermore, aerodynamic heating and pressure loads are systematically evaluated for a number of different operating conditions, including: simple two-dimensional flow over flat surfaces up to three-dimensional flows over deformed surfaces with shock-shock interaction and shock-boundary layer interaction. An additional focus of this dissertation is on the implementation and computation of results using the developed aerodynamic heating and pressure models in complex fluid-thermal-structural simulations. Model reduction is achieved using a two-pronged approach. One prong focuses on developing analytical corrections to isothermal, steady-state CFD flow solutions in order to capture flow effects associated with transient spatially-varying surface temperatures and surface pressures (e.g., surface deformation, surface vibration, shock impingements, etc.). The second prong is focused on minimizing the computational expense of computing the steady-state CFD solutions by developing an efficient surrogate CFD model. The developed two
A Research Roadmap for Computation-Based Human Reliability Analysis
Energy Technology Data Exchange (ETDEWEB)
Boring, Ronald [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mandelli, Diego [Idaho National Lab. (INL), Idaho Falls, ID (United States); Joe, Jeffrey [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Curtis [Idaho National Lab. (INL), Idaho Falls, ID (United States); Groth, Katrina [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-08-01
The United States (U.S.) Department of Energy (DOE) is sponsoring research through the Light Water Reactor Sustainability (LWRS) program to extend the life of the currently operating fleet of commercial nuclear power plants. The Risk Informed Safety Margin Characterization (RISMC) research pathway within LWRS looks at ways to maintain and improve the safety margins of these plants. The RISMC pathway includes significant developments in the area of thermalhydraulics code modeling and the development of tools to facilitate dynamic probabilistic risk assessment (PRA). PRA is primarily concerned with the risk of hardware systems at the plant; yet, hardware reliability is often secondary in overall risk significance to human errors that can trigger or compound undesirable events at the plant. This report highlights ongoing efforts to develop a computation-based approach to human reliability analysis (HRA). This computation-based approach differs from existing static and dynamic HRA approaches in that it: (i) interfaces with a dynamic computation engine that includes a full scope plant model, and (ii) interfaces with a PRA software toolset. The computation-based HRA approach presented in this report is called the Human Unimodels for Nuclear Technology to Enhance Reliability (HUNTER) and incorporates in a hybrid fashion elements of existing HRA methods to interface with new computational tools developed under the RISMC pathway. The goal of this research effort is to model human performance more accurately than existing approaches, thereby minimizing modeling uncertainty found in current plant risk models.
A Research Roadmap for Computation-Based Human Reliability Analysis
International Nuclear Information System (INIS)
Boring, Ronald; Mandelli, Diego; Joe, Jeffrey; Smith, Curtis; Groth, Katrina
2015-01-01
The United States (U.S.) Department of Energy (DOE) is sponsoring research through the Light Water Reactor Sustainability (LWRS) program to extend the life of the currently operating fleet of commercial nuclear power plants. The Risk Informed Safety Margin Characterization (RISMC) research pathway within LWRS looks at ways to maintain and improve the safety margins of these plants. The RISMC pathway includes significant developments in the area of thermalhydraulics code modeling and the development of tools to facilitate dynamic probabilistic risk assessment (PRA). PRA is primarily concerned with the risk of hardware systems at the plant; yet, hardware reliability is often secondary in overall risk significance to human errors that can trigger or compound undesirable events at the plant. This report highlights ongoing efforts to develop a computation-based approach to human reliability analysis (HRA). This computation-based approach differs from existing static and dynamic HRA approaches in that it: (i) interfaces with a dynamic computation engine that includes a full scope plant model, and (ii) interfaces with a PRA software toolset. The computation-based HRA approach presented in this report is called the Human Unimodels for Nuclear Technology to Enhance Reliability (HUNTER) and incorporates in a hybrid fashion elements of existing HRA methods to interface with new computational tools developed under the RISMC pathway. The goal of this research effort is to model human performance more accurately than existing approaches, thereby minimizing modeling uncertainty found in current plant risk models.
Directory of Open Access Journals (Sweden)
Sato Yoshiharu
2011-11-01
Full Text Available Abstract Background Many pathogens use a type III secretion system to translocate virulence proteins (called effectors in order to adapt to the host environment. To date, many prediction tools for effector identification have been developed. However, these tools are insufficiently accurate for producing a list of putative effectors that can be applied directly for labor-intensive experimental verification. This also suggests that important features of effectors have yet to be fully characterized. Results In this study, we have constructed an accurate approach to predicting secreted virulence effectors from Gram-negative bacteria. This consists of a support vector machine-based discriminant analysis followed by a simple criteria-based filtering. The accuracy was assessed by estimating the average number of true positives in the top-20 ranking in the genome-wide screening. In the validation, 10 sets of 20 training and 20 testing examples were randomly selected from 40 known effectors of Salmonella enterica serovar Typhimurium LT2. On average, the SVM portion of our system predicted 9.7 true positives from 20 testing examples in the top-20 of the prediction. Removal of the N-terminal instability, codon adaptation index and ProtParam indices decreased the score to 7.6, 8.9 and 7.9, respectively. These discrimination features suggested that the following characteristics of effectors had been uncovered: unstable N-terminus, non-optimal codon usage, hydrophilic, and less aliphathic. The secondary filtering process represented by coexpression analysis and domain distribution analysis further refined the average true positive counts to 12.3. We further confirmed that our system can correctly predict known effectors of P. syringae DC3000, strongly indicating its feasibility. Conclusions We have successfully developed an accurate prediction system for screening effectors on a genome-wide scale. We confirmed the accuracy of our system by external validation
Tresley, Jonathan; Jose, Jean
2015-04-01
Osteoarthritis of the knee can be a debilitating and extremely painful condition. In patients who desire to postpone knee arthroplasty or in those who are not surgical candidates, percutaneous knee injection therapies have the potential to reduce pain and swelling, maintain joint mobility, and minimize disability. Published studies cite poor accuracy of intra-articular knee joint injections without imaging guidance. We present a sonographically guided posteromedial approach to intra-articular knee joint injections with 100% accuracy and no complications in a consecutive series of 67 patients undergoing subsequent computed tomographic or magnetic resonance arthrography. Although many other standard approaches are available, a posteromedial intra-articular technique is particularly useful in patients with a large body habitus and theoretically allows for simultaneous aspiration of Baker cysts with a single sterile preparation and without changing the patient's position. The posteromedial technique described in this paper is not compared or deemed superior to other standard approaches but, rather, is presented as a potentially safe and efficient alternative. © 2015 by the American Institute of Ultrasound in Medicine.
Lahmiri, Salim; Shmuel, Amir
2017-11-01
Diabetic retinopathy is a disease that can cause a loss of vision. An early and accurate diagnosis helps to improve treatment of the disease and prognosis. One of the earliest characteristics of diabetic retinopathy is the appearance of retinal hemorrhages. The purpose of this study is to design a fully automated system for the detection of hemorrhages in a retinal image. In the first stage of our proposed system, a retinal image is processed with variational mode decomposition (VMD) to obtain the first variational mode, which captures the high frequency components of the original image. In the second stage, four texture descriptors are extracted from the first variational mode. Finally, a classifier trained with all computed texture descriptors is used to distinguish between images of healthy and unhealthy retinas with hemorrhages. Experimental results showed evidence of the effectiveness of the proposed system for detection of hemorrhages in the retina, since a perfect detection rate was achieved. Our proposed system for detecting diabetic retinopathy is simple and easy to implement. It requires only short processing time, and it yields higher accuracy in comparison with previously proposed methods for detecting diabetic retinopathy.
Directory of Open Access Journals (Sweden)
Qiang Li
2014-01-01
Full Text Available The intima-media thickness (IMT of common carotid artery (CCA can serve as an important indicator for the assessment of cardiovascular diseases (CVDs. In this paper an improved approach for automatic IMT measurement with low complexity and high accuracy is presented. 100 ultrasound images from 100 patients were tested with the proposed approach. The ground truth (GT of the IMT was manually measured for six times and averaged, while the automatic segmented (AS IMT was computed by the algorithm proposed in this paper. The mean difference ± standard deviation between AS and GT IMT is 0.0231 ± 0.0348 mm, and the correlation coefficient between them is 0.9629. The computational time is 0.3223 s per image with MATLAB under Windows XP on an Intel Core 2 Duo CPU E7500 @2.93 GHz. The proposed algorithm has the potential to achieve real-time measurement under Visual Studio.
Combinatorial computational chemistry approach to the design of metal catalysts for deNOx
International Nuclear Information System (INIS)
Endou, Akira; Jung, Changho; Kusagaya, Tomonori; Kubo, Momoji; Selvam, Parasuraman; Miyamoto, Akira
2004-01-01
Combinatorial chemistry is an efficient technique for the synthesis and screening of a large number of compounds. Recently, we introduced the combinatorial approach to computational chemistry for catalyst design and proposed a new method called ''combinatorial computational chemistry''. In the present study, we have applied this combinatorial computational chemistry approach to the design of precious metal catalysts for deNO x . As the first step of the screening of the metal catalysts, we studied Rh, Pd, Ag, Ir, Pt, and Au clusters regarding the adsorption properties towards NO molecule. It was demonstrated that the energetically most stable adsorption state of NO on Ir model cluster, which was irrespective of both the shape and number of atoms including the model clusters
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Roshan N. RAJAPAKSE
2016-03-01
Full Text Available Accurate identification of anatomical structures from medical imaging data is a significant and critical function in the medical domain. Past studies in this context have mainly utilized two main approaches, the knowledge and learning methodologies based methods. Further, most of previous reported studies have focused on identification of landmarks from lateral X-ray Computed Tomography (CT data, particularly in the field of orthodontics. However, this study focused on extracting cranial landmarks from large sets of cross sectional CT slices using a combined method of the two aforementioned approaches. The proposed method of this study is centered mainly on template data sets, which were created using the actual contour patterns extracted from CT cases for each of the landmarks in consideration. Firstly, these templates were used to devise rules which are a characteristic of the knowledge based method. Secondly, the same template sets were employed to perform template matching related to the learning methodologies approach. The proposed method was tested on two landmarks, the Dorsum sellae and the Pterygoid plate, using CT cases of 5 subjects. The results indicate that, out of the 10 tests, the output images were within the expected range (desired accuracy in 7 instances and acceptable range (near accuracy for 2 instances, thus verifying the effectiveness of the combined template sets centric approach proposed in this study.
Vogt, Natalja; Marochkin, Ilya I; Rykov, Anatolii N
2018-04-18
The accurate molecular structure of picolinic acid has been determined from experimental data and computed at the coupled cluster level of theory. Only one conformer with the O[double bond, length as m-dash]C-C-N and H-O-C[double bond, length as m-dash]O fragments in antiperiplanar (ap) positions, ap-ap, has been detected under conditions of the gas-phase electron diffraction (GED) experiment (Tnozzle = 375(3) K). The semiexperimental equilibrium structure, rsee, of this conformer has been derived from the GED data taking into account the anharmonic vibrational effects estimated from the ab initio force field. The equilibrium structures of the two lowest-energy conformers, ap-ap and ap-sp (with the synperiplanar H-O-C[double bond, length as m-dash]O fragment), have been fully optimized at the CCSD(T)_ae level of theory in conjunction with the triple-ζ basis set (cc-pwCVTZ). The quality of the optimized structures has been improved due to extrapolation to the quadruple-ζ basis set. The high accuracy of both GED determination and CCSD(T) computations has been disclosed by a correct comparison of structures having the same physical meaning. The ap-ap conformer has been found to be stabilized by the relatively strong NH-O hydrogen bond of 1.973(27) Å (GED) and predicted to be lower in energy by 16 kJ mol-1 with respect to the ap-sp conformer without a hydrogen bond. The influence of this bond on the structure of picolinic acid has been analyzed within the Natural Bond Orbital model. The possibility of the decarboxylation of picolinic acid has been considered in the GED analysis, but no significant amounts of pyridine and carbon dioxide could be detected. To reveal the structural changes reflecting the mesomeric and inductive effects due to the carboxylic substituent, the accurate structure of pyridine has been also computed at the CCSD(T)_ae level with basis sets from triple- to 5-ζ quality. The comprehensive structure computations for pyridine as well as for
A computational approach to negative priming
Schrobsdorff, H.; Ihrke, M.; Kabisch, B.; Behrendt, J.; Hasselhorn, M.; Herrmann, J. Michael
2007-09-01
Priming is characterized by a sensitivity of reaction times to the sequence of stimuli in psychophysical experiments. The reduction of the reaction time observed in positive priming is well-known and experimentally understood (Scarborough et al., J. Exp. Psycholol: Hum. Percept. Perform., 3, pp. 1-17, 1977). Negative priming—the opposite effect—is experimentally less tangible (Fox, Psychonom. Bull. Rev., 2, pp. 145-173, 1995). The dependence on subtle parameter changes (such as response-stimulus interval) usually varies. The sensitivity of the negative priming effect bears great potential for applications in research in fields such as memory, selective attention, and ageing effects. We develop and analyse a computational realization, CISAM, of a recent psychological model for action decision making, the ISAM (Kabisch, PhD thesis, Friedrich-Schiller-Universitat, 2003), which is sensitive to priming conditions. With the dynamical systems approach of the CISAM, we show that a single adaptive threshold mechanism is sufficient to explain both positive and negative priming effects. This is achieved by comparing results obtained by the computational modelling with experimental data from our laboratory. The implementation provides a rich base from which testable predictions can be derived, e.g. with respect to hitherto untested stimulus combinations (e.g. single-object trials).
Liu, Yi; Anusonti-Inthra, Phuriwat; Diskin, Boris
2011-01-01
A physics-based, systematically coupled, multidisciplinary prediction tool (MUTE) for rotorcraft noise was developed and validated with a wide range of flight configurations and conditions. MUTE is an aggregation of multidisciplinary computational tools that accurately and efficiently model the physics of the source of rotorcraft noise, and predict the noise at far-field observer locations. It uses systematic coupling approaches among multiple disciplines including Computational Fluid Dynamics (CFD), Computational Structural Dynamics (CSD), and high fidelity acoustics. Within MUTE, advanced high-order CFD tools are used around the rotor blade to predict the transonic flow (shock wave) effects, which generate the high-speed impulsive noise. Predictions of the blade-vortex interaction noise in low speed flight are also improved by using the Particle Vortex Transport Method (PVTM), which preserves the wake flow details required for blade/wake and fuselage/wake interactions. The accuracy of the source noise prediction is further improved by utilizing a coupling approach between CFD and CSD, so that the effects of key structural dynamics, elastic blade deformations, and trim solutions are correctly represented in the analysis. The blade loading information and/or the flow field parameters around the rotor blade predicted by the CFD/CSD coupling approach are used to predict the acoustic signatures at far-field observer locations with a high-fidelity noise propagation code (WOPWOP3). The predicted results from the MUTE tool for rotor blade aerodynamic loading and far-field acoustic signatures are compared and validated with a variation of experimental data sets, such as UH60-A data, DNW test data and HART II test data.
Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach
Aguilo, Miguel A.; Warner, James E.
2017-01-01
This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.
Global seismic tomography and modern parallel computers
Directory of Open Access Journals (Sweden)
A. Piersanti
2006-06-01
Full Text Available A fast technological progress is providing seismic tomographers with computers of rapidly increasing speed and RAM, that are not always properly taken advantage of. Large computers with both shared-memory and distributedmemory architectures have made it possible to approach the tomographic inverse problem more accurately. For example, resolution can be quantified from the resolution matrix rather than checkerboard tests; the covariance matrix can be calculated to evaluate the propagation of errors from data to model parameters; the L-curve method can be applied to determine a range of acceptable regularization schemes. We show how these exercises can be implemented efficiently on different hardware architectures.
International Nuclear Information System (INIS)
Nahavandi, N.; Minuchehr, A.; Zolfaghari, A.; Abbasi, M.
2015-01-01
Highlights: • Powerful hp-SEM refinement approach for P N neutron transport equation has been presented. • The method provides great geometrical flexibility and lower computational cost. • There is a capability of using arbitrary high order and non uniform meshes. • Both posteriori and priori local error estimation approaches have been employed. • High accurate results are compared against other common adaptive and uniform grids. - Abstract: In this work we presented the adaptive hp-SEM approach which is obtained from the incorporation of Spectral Element Method (SEM) and adaptive hp refinement. The SEM nodal discretization and hp adaptive grid-refinement for even-parity Boltzmann neutron transport equation creates powerful grid refinement approach with high accuracy solutions. In this regard a computer code has been developed to solve multi-group neutron transport equation in one-dimensional geometry using even-parity transport theory. The spatial dependence of flux has been developed via SEM method with Lobatto orthogonal polynomial. Two commonly error estimation approaches, the posteriori and the priori has been implemented. The incorporation of SEM nodal discretization method and adaptive hp grid refinement leads to high accurate solutions. Coarser meshes efficiency and significant reduction of computer program runtime in comparison with other common refining methods and uniform meshing approaches is tested along several well-known transport benchmarks
Computational modeling of human oral bioavailability: what will be next?
Cabrera-Pérez, Miguel Ángel; Pham-The, Hai
2018-06-01
The oral route is the most convenient way of administrating drugs. Therefore, accurate determination of oral bioavailability is paramount during drug discovery and development. Quantitative structure-property relationship (QSPR), rule-of-thumb (RoT) and physiologically based-pharmacokinetic (PBPK) approaches are promising alternatives to the early oral bioavailability prediction. Areas covered: The authors give insight into the factors affecting bioavailability, the fundamental theoretical framework and the practical aspects of computational methods for predicting this property. They also give their perspectives on future computational models for estimating oral bioavailability. Expert opinion: Oral bioavailability is a multi-factorial pharmacokinetic property with its accurate prediction challenging. For RoT and QSPR modeling, the reliability of datasets, the significance of molecular descriptor families and the diversity of chemometric tools used are important factors that define model predictability and interpretability. Likewise, for PBPK modeling the integrity of the pharmacokinetic data, the number of input parameters, the complexity of statistical analysis and the software packages used are relevant factors in bioavailability prediction. Although these approaches have been utilized independently, the tendency to use hybrid QSPR-PBPK approaches together with the exploration of ensemble and deep-learning systems for QSPR modeling of oral bioavailability has opened new avenues for development promising tools for oral bioavailability prediction.
Pedagogical Approaches to Teaching with Computer Simulations in Science Education
Rutten, N.P.G.; van der Veen, Johan (CTIT); van Joolingen, Wouter; McBride, Ron; Searson, Michael
2013-01-01
For this study we interviewed 24 physics teachers about their opinions on teaching with computer simulations. The purpose of this study is to investigate whether it is possible to distinguish different types of teaching approaches. Our results indicate the existence of two types. The first type is
Novel computational approaches characterizing knee physiotherapy
Directory of Open Access Journals (Sweden)
Wangdo Kim
2014-01-01
Full Text Available A knee joint’s longevity depends on the proper integration of structural components in an axial alignment. If just one of the components is abnormally off-axis, the biomechanical system fails, resulting in arthritis. The complexity of various failures in the knee joint has led orthopedic surgeons to select total knee replacement as a primary treatment. In many cases, this means sacrificing much of an otherwise normal joint. Here, we review novel computational approaches to describe knee physiotherapy by introducing a new dimension of foot loading to the knee axis alignment producing an improved functional status of the patient. New physiotherapeutic applications are then possible by aligning foot loading with the functional axis of the knee joint during the treatment of patients with osteoarthritis.
Comparison of Computational Approaches for Rapid Aerodynamic Assessment of Small UAVs
Shafer, Theresa C.; Lynch, C. Eric; Viken, Sally A.; Favaregh, Noah; Zeune, Cale; Williams, Nathan; Dansie, Jonathan
2014-01-01
Computational Fluid Dynamic (CFD) methods were used to determine the basic aerodynamic, performance, and stability and control characteristics of the unmanned air vehicle (UAV), Kahu. Accurate and timely prediction of the aerodynamic characteristics of small UAVs is an essential part of military system acquisition and air-worthiness evaluations. The forces and moments of the UAV were predicted using a variety of analytical methods for a range of configurations and conditions. The methods included Navier Stokes (N-S) flow solvers (USM3D, Kestrel and Cobalt) that take days to set up and hours to converge on a single solution; potential flow methods (PMARC, LSAERO, and XFLR5) that take hours to set up and minutes to compute; empirical methods (Datcom) that involve table lookups and produce a solution quickly; and handbook calculations. A preliminary aerodynamic database can be developed very efficiently by using a combination of computational tools. The database can be generated with low-order and empirical methods in linear regions, then replacing or adjusting the data as predictions from higher order methods are obtained. A comparison of results from all the data sources as well as experimental data obtained from a wind-tunnel test will be shown and the methods will be evaluated on their utility during each portion of the flight envelope.
Ustinov, E A
2014-10-07
Commensurate-incommensurate (C-IC) transition of krypton molecular layer on graphite received much attention in recent decades in theoretical and experimental researches. However, there still exists a possibility of generalization of the phenomenon from thermodynamic viewpoint on the basis of accurate molecular simulation. Recently, a new technique was developed for analysis of two-dimensional (2D) phase transitions in systems involving a crystalline phase, which is based on accounting for the effect of temperature and the chemical potential on the lattice constant of the 2D layer using the Gibbs-Duhem equation [E. A. Ustinov, J. Chem. Phys. 140, 074706 (2014)]. The technique has allowed for determination of phase diagrams of 2D argon layers on the uniform surface and in slit pores. This paper extends the developed methodology on systems accounting for the periodic modulation of the substrate potential. The main advantage of the developed approach is that it provides highly accurate evaluation of the chemical potential of crystalline layers, which allows reliable determination of temperature and other parameters of various 2D phase transitions. Applicability of the methodology is demonstrated on the krypton-graphite system. Analysis of phase diagram of the krypton molecular layer, thermodynamic functions of coexisting phases, and a method of prediction of adsorption isotherms is considered accounting for a compression of the graphite due to the krypton-carbon interaction. The temperature and heat of C-IC transition has been reliably determined for the gas-solid and solid-solid system.
International Nuclear Information System (INIS)
Ustinov, E. A.
2014-01-01
Commensurate–incommensurate (C-IC) transition of krypton molecular layer on graphite received much attention in recent decades in theoretical and experimental researches. However, there still exists a possibility of generalization of the phenomenon from thermodynamic viewpoint on the basis of accurate molecular simulation. Recently, a new technique was developed for analysis of two-dimensional (2D) phase transitions in systems involving a crystalline phase, which is based on accounting for the effect of temperature and the chemical potential on the lattice constant of the 2D layer using the Gibbs–Duhem equation [E. A. Ustinov, J. Chem. Phys. 140, 074706 (2014)]. The technique has allowed for determination of phase diagrams of 2D argon layers on the uniform surface and in slit pores. This paper extends the developed methodology on systems accounting for the periodic modulation of the substrate potential. The main advantage of the developed approach is that it provides highly accurate evaluation of the chemical potential of crystalline layers, which allows reliable determination of temperature and other parameters of various 2D phase transitions. Applicability of the methodology is demonstrated on the krypton–graphite system. Analysis of phase diagram of the krypton molecular layer, thermodynamic functions of coexisting phases, and a method of prediction of adsorption isotherms is considered accounting for a compression of the graphite due to the krypton–carbon interaction. The temperature and heat of C-IC transition has been reliably determined for the gas–solid and solid–solid system
Computer Forensics for Graduate Accountants: A Motivational Curriculum Design Approach
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Grover Kearns
2010-06-01
Full Text Available Computer forensics involves the investigation of digital sources to acquire evidence that can be used in a court of law. It can also be used to identify and respond to threats to hosts and systems. Accountants use computer forensics to investigate computer crime or misuse, theft of trade secrets, theft of or destruction of intellectual property, and fraud. Education of accountants to use forensic tools is a goal of the AICPA (American Institute of Certified Public Accountants. Accounting students, however, may not view information technology as vital to their career paths and need motivation to acquire forensic knowledge and skills. This paper presents a curriculum design methodology for teaching graduate accounting students computer forensics. The methodology is tested using perceptions of the students about the success of the methodology and their acquisition of forensics knowledge and skills. An important component of the pedagogical approach is the use of an annotated list of over 50 forensic web-based tools.
Accurate prediction of the enthalpies of formation for xanthophylls.
Lii, Jenn-Huei; Liao, Fu-Xing; Hu, Ching-Han
2011-11-30
This study investigates the applications of computational approaches in the prediction of enthalpies of formation (ΔH(f)) for C-, H-, and O-containing compounds. Molecular mechanics (MM4) molecular mechanics method, density functional theory (DFT) combined with the atomic equivalent (AE) and group equivalent (GE) schemes, and DFT-based correlation corrected atomization (CCAZ) were used. We emphasized on the application to xanthophylls, C-, H-, and O-containing carotenoids which consist of ∼ 100 atoms and extended π-delocaization systems. Within the training set, MM4 predictions are more accurate than those obtained using AE and GE; however a systematic underestimation was observed in the extended systems. ΔH(f) for the training set molecules predicted by CCAZ combined with DFT are in very good agreement with the G3 results. The average absolute deviations (AADs) of CCAZ combined with B3LYP and MPWB1K are 0.38 and 0.53 kcal/mol compared with the G3 data, and are 0.74 and 0.69 kcal/mol compared with the available experimental data, respectively. Consistency of the CCAZ approach for the selected xanthophylls is revealed by the AAD of 2.68 kcal/mol between B3LYP-CCAZ and MPWB1K-CCAZ. Copyright © 2011 Wiley Periodicals, Inc.
O'Kane, Dermot B; Lawrentschuk, Nathan; Bolton, Damien M
2016-01-01
We herein present a case of a 76-year-old gentleman, where prostate-specific membrane antigen positron emission tomography-computed tomography (PSMA PET-CT) was used to accurately detect prostate cancer (PCa), pelvic lymph node (LN) metastasis in the setting of biochemical recurrence following definitive treatment for PCa. The positive PSMA PET-CT result was confirmed with histological examination of the involved pelvic LNs following pelvic LN dissection.
Directory of Open Access Journals (Sweden)
Dermot B O′Kane
2016-01-01
Full Text Available We herein present a case of a 76-year-old gentleman, where prostate-specific membrane antigen positron emission tomography-computed tomography (PSMA PET-CT was used to accurately detect prostate cancer (PCa, pelvic lymph node (LN metastasis in the setting of biochemical recurrence following definitive treatment for PCa. The positive PSMA PET-CT result was confirmed with histological examination of the involved pelvic LNs following pelvic LN dissection.
Computational approach to Riemann surfaces
Klein, Christian
2011-01-01
This volume offers a well-structured overview of existent computational approaches to Riemann surfaces and those currently in development. The authors of the contributions represent the groups providing publically available numerical codes in this field. Thus this volume illustrates which software tools are available and how they can be used in practice. In addition examples for solutions to partial differential equations and in surface theory are presented. The intended audience of this book is twofold. It can be used as a textbook for a graduate course in numerics of Riemann surfaces, in which case the standard undergraduate background, i.e., calculus and linear algebra, is required. In particular, no knowledge of the theory of Riemann surfaces is expected; the necessary background in this theory is contained in the Introduction chapter. At the same time, this book is also intended for specialists in geometry and mathematical physics applying the theory of Riemann surfaces in their research. It is the first...
International Nuclear Information System (INIS)
Abdallh, A; Crevecoeur, G; Dupré, L
2012-01-01
Magnetic material properties of an electromagnetic device can be recovered by solving an inverse problem where measurements are adequately interpreted by a mathematical forward model. The accuracy of these forward models dramatically affects the accuracy of the material properties recovered by the inverse problem. The more accurate the forward model is, the more accurate recovered data are. However, the more accurate ‘fine’ models demand a high computational time and memory storage. Alternatively, less accurate ‘coarse’ models can be used with a demerit of the high expected recovery errors. This paper uses the Bayesian approximation error approach for improving the inverse problem results when coarse models are utilized. The proposed approach adapts the objective function to be minimized with the a priori misfit between fine and coarse forward model responses. In this paper, two different electromagnetic devices, namely a switched reluctance motor and an EI core inductor, are used as case studies. The proposed methodology is validated on both purely numerical and real experimental results. The results show a significant reduction in the recovery error within an acceptable computational time. (paper)
Computer Architecture A Quantitative Approach
Hennessy, John L
2011-01-01
The computing world today is in the middle of a revolution: mobile clients and cloud computing have emerged as the dominant paradigms driving programming and hardware innovation today. The Fifth Edition of Computer Architecture focuses on this dramatic shift, exploring the ways in which software and technology in the cloud are accessed by cell phones, tablets, laptops, and other mobile computing devices. Each chapter includes two real-world examples, one mobile and one datacenter, to illustrate this revolutionary change.Updated to cover the mobile computing revolutionEmphasizes the two most im
MAGERI: Computational pipeline for molecular-barcoded targeted resequencing.
Directory of Open Access Journals (Sweden)
Mikhail Shugay
2017-05-01
Full Text Available Unique molecular identifiers (UMIs show outstanding performance in targeted high-throughput resequencing, being the most promising approach for the accurate identification of rare variants in complex DNA samples. This approach has application in multiple areas, including cancer diagnostics, thus demanding dedicated software and algorithms. Here we introduce MAGERI, a computational pipeline that efficiently handles all caveats of UMI-based analysis to obtain high-fidelity mutation profiles and call ultra-rare variants. Using an extensive set of benchmark datasets including gold-standard biological samples with known variant frequencies, cell-free DNA from tumor patient blood samples and publicly available UMI-encoded datasets we demonstrate that our method is both robust and efficient in calling rare variants. The versatility of our software is supported by accurate results obtained for both tumor DNA and viral RNA samples in datasets prepared using three different UMI-based protocols.
An accurate conservative level set/ghost fluid method for simulating turbulent atomization
International Nuclear Information System (INIS)
Desjardins, Olivier; Moureau, Vincent; Pitsch, Heinz
2008-01-01
This paper presents a novel methodology for simulating incompressible two-phase flows by combining an improved version of the conservative level set technique introduced in [E. Olsson, G. Kreiss, A conservative level set method for two phase flow, J. Comput. Phys. 210 (2005) 225-246] with a ghost fluid approach. By employing a hyperbolic tangent level set function that is transported and re-initialized using fully conservative numerical schemes, mass conservation issues that are known to affect level set methods are greatly reduced. In order to improve the accuracy of the conservative level set method, high order numerical schemes are used. The overall robustness of the numerical approach is increased by computing the interface normals from a signed distance function reconstructed from the hyperbolic tangent level set by a fast marching method. The convergence of the curvature calculation is ensured by using a least squares reconstruction. The ghost fluid technique provides a way of handling the interfacial forces and large density jumps associated with two-phase flows with good accuracy, while avoiding artificial spreading of the interface. Since the proposed approach relies on partial differential equations, its implementation is straightforward in all coordinate systems, and it benefits from high parallel efficiency. The robustness and efficiency of the approach is further improved by using implicit schemes for the interface transport and re-initialization equations, as well as for the momentum solver. The performance of the method is assessed through both classical level set transport tests and simple two-phase flow examples including topology changes. It is then applied to simulate turbulent atomization of a liquid Diesel jet at Re=3000. The conservation errors associated with the accurate conservative level set technique are shown to remain small even for this complex case
International Nuclear Information System (INIS)
Radovanov, P.
2015-01-01
For planning purposes, the calculation methods are a good approach for the predicting of: the amount of RAW and radionuclide inventory; dose rates from the equipment, as personnel exposure is decreased to the minimum (even to 0). In future, the development of the computing software and hardware will result in even better predictions to contribute to more accurate planning of the decommissioning process
Multilevel Monte Carlo in Approximate Bayesian Computation
Jasra, Ajay
2017-02-13
In the following article we consider approximate Bayesian computation (ABC) inference. We introduce a method for numerically approximating ABC posteriors using the multilevel Monte Carlo (MLMC). A sequential Monte Carlo version of the approach is developed and it is shown under some assumptions that for a given level of mean square error, this method for ABC has a lower cost than i.i.d. sampling from the most accurate ABC approximation. Several numerical examples are given.
Computational Approach for Studying Optical Properties of DNA Systems in Solution
DEFF Research Database (Denmark)
Nørby, Morten Steen; Svendsen, Casper Steinmann; Olsen, Jógvan Magnus Haugaard
2016-01-01
In this paper we present a study of the methodological aspects regarding calculations of optical properties for DNA systems in solution. Our computational approach will be built upon a fully polarizable QM/MM/Continuum model within a damped linear response theory framework. In this approach...... the environment is given a highly advanced description in terms of the electrostatic potential through the polarizable embedding model. Furthermore, bulk solvent effects are included in an efficient manner through a conductor-like screening model. With the aim of reducing the computational cost we develop a set...... of averaged partial charges and distributed isotropic dipole-dipole polarizabilities for DNA suitable for describing the classical region in ground-state and excited-state calculations. Calculations of the UV-spectrum of the 2-aminopurine optical probe embedded in a DNA double helical structure are presented...
Melendez Rodriguez, J.C.; Ginneken, B. van; Maduskar, P.; Philipsen, R.H.H.M.; Ayles, H.; Sanchez, C.I.
2016-01-01
The major advantage of multiple-instance learning (MIL) applied to a computer-aided detection (CAD) system is that it allows optimizing the latter with case-level labels instead of accurate lesion outlines as traditionally required for a supervised approach. As shown in previous work, a MIL-based
New Approaches to the Computer Simulation of Amorphous Alloys: A Review.
Valladares, Ariel A; Díaz-Celaya, Juan A; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M; Reyes-Retana, José A; Valladares, Renela M; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun
2011-04-13
In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe 2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.
Hurtado, Daniel E.; Rojas, Guillermo
2018-04-01
Computer simulations constitute a powerful tool for studying the electrical activity of the human heart, but computational effort remains prohibitively high. In order to recover accurate conduction velocities and wavefront shapes, the mesh size in linear element (Q1) formulations cannot exceed 0.1 mm. Here we propose a novel non-conforming finite-element formulation for the non-linear cardiac electrophysiology problem that results in accurate wavefront shapes and lower mesh-dependance in the conduction velocity, while retaining the same number of global degrees of freedom as Q1 formulations. As a result, coarser discretizations of cardiac domains can be employed in simulations without significant loss of accuracy, thus reducing the overall computational effort. We demonstrate the applicability of our formulation in biventricular simulations using a coarse mesh size of ˜ 1 mm, and show that the activation wave pattern closely follows that obtained in fine-mesh simulations at a fraction of the computation time, thus improving the accuracy-efficiency trade-off of cardiac simulations.
Walker, Ernest; Chen, Xinjia; Cooper, Reginald L.
2010-04-01
An arbitrarily accurate approach is used to determine the bit-error rate (BER) performance for generalized asynchronous DS-CDMA systems, in Gaussian noise with Raleigh fading. In this paper, and the sequel, new theoretical work has been contributed which substantially enhances existing performance analysis formulations. Major contributions include: substantial computational complexity reduction, including a priori BER accuracy bounding; an analytical approach that facilitates performance evaluation for systems with arbitrary spectral spreading distributions, with non-uniform transmission delay distributions. Using prior results, augmented by these enhancements, a generalized DS-CDMA system model is constructed and used to evaluated the BER performance, in a variety of scenarios. In this paper, the generalized system modeling was used to evaluate the performance of both Walsh- Hadamard (WH) and Walsh-Hadamard-seeded zero-correlation-zone (WH-ZCZ) coding. The selection of these codes was informed by the observation that WH codes contain N spectral spreading values (0 to N - 1), one for each code sequence; while WH-ZCZ codes contain only two spectral spreading values (N/2 - 1,N/2); where N is the sequence length in chips. Since these codes span the spectral spreading range for DS-CDMA coding, by invoking an induction argument, the generalization of the system model is sufficiently supported. The results in this paper, and the sequel, support the claim that an arbitrary accurate performance analysis for DS-CDMA systems can be evaluated over the full range of binary coding, with minimal computational complexity.
International Nuclear Information System (INIS)
Komatsu, Sei; Imai, Atsuko; Kodama, Kazuhisa
2011-01-01
Over the past decade, multidetector row computed tomography (MDCT) has become the most reliable and established of the noninvasive examination techniques for detecting coronary heart disease. Now MDCT is chasing intravascular ultrasound (IVUS) in terms of spatial resolution. Among the components of vulnerable plaque, MDCT may detect lipid-rich plaque, the lipid pool, and calcified spots using computed tomography number. Plaque components are detected by MDCT with high accuracy compared with IVUS and angioscopy when assessing vulnerable plaque. The TWINS study and TOGETHAR trial demonstrated that angioscopic loss of yellow color occurred independently of volumetric plaque change by statin therapy. These 2 studies showed that plaque stabilization and regression reflect independent processes mediated by different mechanisms and time course. Noncalcified plaque and/or low-density plaque was found to be the strongest predictor of cardiac events, regardless of lesion severity, and act as a potential marker of plaque vulnerability. MDCT may be an effective tool for early triage of patients with chest pain who have a normal electrocardiogram (ECG) and cardiac enzymes in the emergency department. MDCT has the potential ability to analyze coronary plaque quantitatively and qualitatively if some problems are resolved. MDCT may become an essential tool for detecting and preventing coronary artery disease in the future. (author)
Fast sweeping algorithm for accurate solution of the TTI eikonal equation using factorization
bin Waheed, Umair
2017-06-10
Traveltime computation is essential for many seismic data processing applications and velocity analysis tools. High-resolution seismic imaging requires eikonal solvers to account for anisotropy whenever it significantly affects the seismic wave kinematics. Moreover, computation of auxiliary quantities, such as amplitude and take-off angle, rely on highly accurate traveltime solutions. However, the finite-difference based eikonal solution for a point-source initial condition has an upwind source-singularity at the source position, since the wavefront curvature is large near the source point. Therefore, all finite-difference solvers, even the high-order ones, show inaccuracies since the errors due to source-singularity spread from the source point to the whole computational domain. We address the source-singularity problem for tilted transversely isotropic (TTI) eikonal solvers using factorization. We solve a sequence of factored tilted elliptically anisotropic (TEA) eikonal equations iteratively, each time by updating the right hand side function. At each iteration, we factor the unknown TEA traveltime into two factors. One of the factors is specified analytically, such that the other factor is smooth in the source neighborhood. Therefore, through the iterative procedure we obtain accurate solution to the TTI eikonal equation. Numerical tests show significant improvement in accuracy due to factorization. The idea can be easily extended to compute accurate traveltimes for models with lower anisotropic symmetries, such as orthorhombic, monoclinic or even triclinic media.
Accurate and cost-effective MTF measurement system for lens modules of digital cameras
Chang, Gao-Wei; Liao, Chia-Cheng; Yeh, Zong-Mu
2007-01-01
For many years, the widening use of digital imaging products, e.g., digital cameras, has given rise to much attention in the market of consumer electronics. However, it is important to measure and enhance the imaging performance of the digital ones, compared to that of conventional cameras (with photographic films). For example, the effect of diffraction arising from the miniaturization of the optical modules tends to decrease the image resolution. As a figure of merit, modulation transfer function (MTF) has been broadly employed to estimate the image quality. Therefore, the objective of this paper is to design and implement an accurate and cost-effective MTF measurement system for the digital camera. Once the MTF of the sensor array is provided, that of the optical module can be then obtained. In this approach, a spatial light modulator (SLM) is employed to modulate the spatial frequency of light emitted from the light-source. The modulated light going through the camera under test is consecutively detected by the sensors. The corresponding images formed from the camera are acquired by a computer and then, they are processed by an algorithm for computing the MTF. Finally, through the investigation on the measurement accuracy from various methods, such as from bar-target and spread-function methods, it appears that our approach gives quite satisfactory results.
A comparative approach to computer aided design model of a dog femur.
Turamanlar, O; Verim, O; Karabulut, A
2016-01-01
Computer assisted technologies offer new opportunities in medical imaging and rapid prototyping in biomechanical engineering. Three dimensional (3D) modelling of soft tissues and bones are becoming more important. The accuracy of the analysis in modelling processes depends on the outline of the tissues derived from medical images. The aim of this study is the evaluation of the accuracy of 3D models of a dog femur derived from computed tomography data by using point cloud method and boundary line method on several modelling software. Solidworks, Rapidform and 3DSMax software were used to create 3D models and outcomes were evaluated statistically. The most accurate 3D prototype of the dog femur was created with stereolithography method using rapid prototype device. Furthermore, the linearity of the volumes of models was investigated between software and the constructed models. The difference between the software and real models manifests the sensitivity of the software and the devices used in this manner.
Marchini, Giovanni Scala; Gebreselassie, Surafel; Liu, Xiaobo; Pynadath, Cindy; Snyder, Grace; Monga, Manoj
2013-02-01
The purpose of our study was to determine, in vivo, whether single-energy noncontrast computed tomography (NCCT) can accurately predict the presence/percentage of struvite stone composition. We retrospectively searched for all patients with struvite components on stone composition analysis between January 2008 and March 2012. Inclusion criteria were NCCT prior to stone analysis and stone size ≥4 mm. A single urologist, blinded to stone composition, reviewed all NCCT to acquire stone location, dimensions, and Hounsfield unit (HU). HU density (HUD) was calculated by dividing mean HU by the stone's largest transverse diameter. Stone analysis was performed via Fourier transform infrared spectrometry. Independent sample Student's t-test and analysis of variance (ANOVA) were used to compare HU/HUD among groups. Spearman's correlation test was used to determine the correlation between HU and stone size and also HU/HUD to % of each component within the stone. Significance was considered if pR=0.017; p=0.912) and negative with HUD (R=-0.20; p=0.898). Overall, 3 (6.8%) had stones (n=5) with other miscellaneous stones (n=39), no difference was found for HU (p=0.09) but HUD was significantly lower for pure stones (27.9±23.6 v 72.5±55.9, respectively; p=0.006). Again, significant overlaps were seen. Pure struvite stones have significantly lower HUD than mixed struvite stones, but overlap exists. A low HUD may increase the suspicion for a pure struvite calculus.
A rapid and accurate approach for prediction of interactomes from co-elution data (PrInCE).
Stacey, R Greg; Skinnider, Michael A; Scott, Nichollas E; Foster, Leonard J
2017-10-23
An organism's protein interactome, or complete network of protein-protein interactions, defines the protein complexes that drive cellular processes. Techniques for studying protein complexes have traditionally applied targeted strategies such as yeast two-hybrid or affinity purification-mass spectrometry to assess protein interactions. However, given the vast number of protein complexes, more scalable methods are necessary to accelerate interaction discovery and to construct whole interactomes. We recently developed a complementary technique based on the use of protein correlation profiling (PCP) and stable isotope labeling in amino acids in cell culture (SILAC) to assess chromatographic co-elution as evidence of interacting proteins. Importantly, PCP-SILAC is also capable of measuring protein interactions simultaneously under multiple biological conditions, allowing the detection of treatment-specific changes to an interactome. Given the uniqueness and high dimensionality of co-elution data, new tools are needed to compare protein elution profiles, control false discovery rates, and construct an accurate interactome. Here we describe a freely available bioinformatics pipeline, PrInCE, for the analysis of co-elution data. PrInCE is a modular, open-source library that is computationally inexpensive, able to use label and label-free data, and capable of detecting tens of thousands of protein-protein interactions. Using a machine learning approach, PrInCE offers greatly reduced run time, more predicted interactions at the same stringency, prediction of protein complexes, and greater ease of use over previous bioinformatics tools for co-elution data. PrInCE is implemented in Matlab (version R2017a). Source code and standalone executable programs for Windows and Mac OSX are available at https://github.com/fosterlab/PrInCE , where usage instructions can be found. An example dataset and output are also provided for testing purposes. PrInCE is the first fast and easy
Novel computational approaches for the analysis of cosmic magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Saveliev, Andrey [Universitaet Hamburg, Hamburg (Germany); Keldysh Institut, Moskau (Russian Federation)
2016-07-01
In order to give a consistent picture of cosmic, i.e. galactic and extragalactic, magnetic fields, different approaches are possible and often even necessary. Here we present three of them: First, a semianalytic analysis of the time evolution of primordial magnetic fields from which their properties and, subsequently, the nature of present-day intergalactic magnetic fields may be deduced. Second, the use of high-performance computing infrastructure by developing powerful algorithms for (magneto-)hydrodynamic simulations and applying them to astrophysical problems. We are currently developing a code which applies kinetic schemes in massive parallel computing on high performance multiprocessor systems in a new way to calculate both hydro- and electrodynamic quantities. Finally, as a third approach, astroparticle physics might be used as magnetic fields leave imprints of their properties on charged particles transversing them. Here we focus on electromagnetic cascades by developing a software based on CRPropa which simulates the propagation of particles from such cascades through the intergalactic medium in three dimensions. This may in particular be used to obtain information about the helicity of extragalactic magnetic fields.
Olayan, Rawan S.
2017-12-01
Computational drug repurposing aims at finding new medical uses for existing drugs. The identification of novel drug-target interactions (DTIs) can be a useful part of such a task. Computational determination of DTIs is a convenient strategy for systematic screening of a large number of drugs in the attempt to identify new DTIs at low cost and with reasonable accuracy. This necessitates development of accurate computational methods that can help focus on the follow-up experimental validation on a smaller number of highly likely targets for a drug. Although many methods have been proposed for computational DTI prediction, they suffer the high false positive prediction rate or they do not predict the effect that drugs exert on targets in DTIs. In this report, first, we present a comprehensive review of the recent progress in the field of DTI prediction from data-centric and algorithm-centric perspectives. The aim is to provide a comprehensive review of computational methods for identifying DTIs, which could help in constructing more reliable methods. Then, we present DDR, an efficient method to predict the existence of DTIs. DDR achieves significantly more accurate results compared to the other state-of-theart methods. As supported by independent evidences, we verified as correct 22 out of the top 25 DDR DTIs predictions. This validation proves the practical utility of DDR, suggesting that DDR can be used as an efficient method to identify 5 correct DTIs. Finally, we present DDR-FE method that predicts the effect types of a drug on its target. On different representative datasets, under various test setups, and using different performance measures, we show that DDR-FE achieves extremely good performance. Using blind test data, we verified as correct 2,300 out of 3,076 DTIs effects predicted by DDR-FE. This suggests that DDR-FE can be used as an efficient method to identify correct effects of a drug on its target.
Grebner, Christoph; Becker, Johannes; Weber, Daniel; Bellinger, Daniel; Tafipolski, Maxim; Brückner, Charlotte; Engels, Bernd
2014-09-15
The presented program package, Conformational Analysis and Search Tool (CAST) allows the accurate treatment of large and flexible (macro) molecular systems. For the determination of thermally accessible minima CAST offers the newly developed TabuSearch algorithm, but algorithms such as Monte Carlo (MC), MC with minimization, and molecular dynamics are implemented as well. For the determination of reaction paths, CAST provides the PathOpt, the Nudge Elastic band, and the umbrella sampling approach. Access to free energies is possible through the free energy perturbation approach. Along with a number of standard force fields, a newly developed symmetry-adapted perturbation theory-based force field is included. Semiempirical computations are possible through DFTB+ and MOPAC interfaces. For calculations based on density functional theory, a Message Passing Interface (MPI) interface to the Graphics Processing Unit (GPU)-accelerated TeraChem program is available. The program is available on request. Copyright © 2014 Wiley Periodicals, Inc.
Fast reactor safety and computational thermo-fluid dynamics approaches
International Nuclear Information System (INIS)
Ninokata, Hisashi; Shimizu, Takeshi
1993-01-01
This article provides a brief description of the safety principle on which liquid metal cooled fast breeder reactors (LMFBRs) is based and the roles of computations in the safety practices. A number of thermohydraulics models have been developed to date that successfully describe several of the important types of fluids and materials motion encountered in the analysis of postulated accidents in LMFBRs. Most of these models use a mixture of implicit and explicit numerical solution techniques in solving a set of conservation equations formulated in Eulerian coordinates, with special techniques included to specific situations. Typical computational thermo-fluid dynamics approaches are discussed in particular areas of analyses of the physical phenomena relevant to the fuel subassembly thermohydraulics design and that involve describing the motion of molten materials in the core over a large scale. (orig.)
Calculation of vibrational frequencies through a variational reduced-coupling approach.
Scribano, Yohann; Benoit, David M
2007-10-28
In this study, we present a new method to perform accurate and efficient vibrational configuration interaction computations for large molecular systems. We use the vibrational self-consistent field (VSCF) method to compute an initial description of the vibrational wave function of the system, combined with the single-to-all approach to compute a sparse potential energy surface at the chosen ab initio level of theory. A Davidson scheme is then used to diagonalize the Hamiltonian matrix built on the VSCF virtual basis. Our method is applied to the computation of the OH-stretch frequency of formic acid and benzoic acid to demonstrate the efficiency and accuracy of this new technique.
Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, William L.; Glass, Christopher E.; Streett, Craig L.; Schuster, David M.
2015-01-01
A transonic flow field about a Space Launch System (SLS) configuration was simulated with the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics (CFD) code at wind tunnel conditions. Unsteady, time-accurate computations were performed using second-order Delayed Detached Eddy Simulation (DDES) for up to 1.5 physical seconds. The surface pressure time history was collected at 619 locations, 169 of which matched locations on a 2.5 percent wind tunnel model that was tested in the 11 ft. x 11 ft. test section of the NASA Ames Research Center's Unitary Plan Wind Tunnel. Comparisons between computation and experiment showed that the peak surface pressure RMS level occurs behind the forward attach hardware, and good agreement for frequency and power was obtained in this region. Computational domain, grid resolution, and time step sensitivity studies were performed. These included an investigation of pseudo-time sub-iteration convergence. Using these sensitivity studies and experimental data comparisons, a set of best practices to date have been established for FUN3D simulations for SLS launch vehicle analysis. To the author's knowledge, this is the first time DDES has been used in a systematic approach and establish simulation time needed, to analyze unsteady pressure loads on a space launch vehicle such as the NASA SLS.
Itu, Lucian; Rapaka, Saikiran; Passerini, Tiziano; Georgescu, Bogdan; Schwemmer, Chris; Schoebinger, Max; Flohr, Thomas; Sharma, Puneet; Comaniciu, Dorin
2016-07-01
Fractional flow reserve (FFR) is a functional index quantifying the severity of coronary artery lesions and is clinically obtained using an invasive, catheter-based measurement. Recently, physics-based models have shown great promise in being able to noninvasively estimate FFR from patient-specific anatomical information, e.g., obtained from computed tomography scans of the heart and the coronary arteries. However, these models have high computational demand, limiting their clinical adoption. In this paper, we present a machine-learning-based model for predicting FFR as an alternative to physics-based approaches. The model is trained on a large database of synthetically generated coronary anatomies, where the target values are computed using the physics-based model. The trained model predicts FFR at each point along the centerline of the coronary tree, and its performance was assessed by comparing the predictions against physics-based computations and against invasively measured FFR for 87 patients and 125 lesions in total. Correlation between machine-learning and physics-based predictions was excellent (0.9994, P machine-learning algorithm with a sensitivity of 81.6%, a specificity of 83.9%, and an accuracy of 83.2%. The correlation was 0.729 (P assessment of FFR. Average execution time went down from 196.3 ± 78.5 s for the CFD model to ∼2.4 ± 0.44 s for the machine-learning model on a workstation with 3.4-GHz Intel i7 8-core processor. Copyright © 2016 the American Physiological Society.
Energy Technology Data Exchange (ETDEWEB)
Zeng, Dong; Zhang, Xinyu; Bian, Zhaoying, E-mail: zybian@smu.edu.cn, E-mail: jhma@smu.edu.cn; Huang, Jing; Zhang, Hua; Lu, Lijun; Lyu, Wenbing; Feng, Qianjin; Chen, Wufan; Ma, Jianhua, E-mail: zybian@smu.edu.cn, E-mail: jhma@smu.edu.cn [Department of Biomedical Engineering, Southern Medical University, Guangzhou, Guangdong 510515, China and Guangdong Provincial Key Laboratory of Medical Image Processing, Southern Medical University, Guangzhou, Guangdong 510515 (China); Zhang, Jing [Department of Radiology, Tianjin Medical University General Hospital, Tianjin 300052 (China)
2016-05-15
Purpose: Cerebral perfusion computed tomography (PCT) imaging as an accurate and fast acute ischemic stroke examination has been widely used in clinic. Meanwhile, a major drawback of PCT imaging is the high radiation dose due to its dynamic scan protocol. The purpose of this work is to develop a robust perfusion deconvolution approach via structure tensor total variation (STV) regularization (PD-STV) for estimating an accurate residue function in PCT imaging with the low-milliampere-seconds (low-mAs) data acquisition. Methods: Besides modeling the spatio-temporal structure information of PCT data, the STV regularization of the present PD-STV approach can utilize the higher order derivatives of the residue function to enhance denoising performance. To minimize the objective function, the authors propose an effective iterative algorithm with a shrinkage/thresholding scheme. A simulation study on a digital brain perfusion phantom and a clinical study on an old infarction patient were conducted to validate and evaluate the performance of the present PD-STV approach. Results: In the digital phantom study, visual inspection and quantitative metrics (i.e., the normalized mean square error, the peak signal-to-noise ratio, and the universal quality index) assessments demonstrated that the PD-STV approach outperformed other existing approaches in terms of the performance of noise-induced artifacts reduction and accurate perfusion hemodynamic maps (PHM) estimation. In the patient data study, the present PD-STV approach could yield accurate PHM estimation with several noticeable gains over other existing approaches in terms of visual inspection and correlation analysis. Conclusions: This study demonstrated the feasibility and efficacy of the present PD-STV approach in utilizing STV regularization to improve the accuracy of residue function estimation of cerebral PCT imaging in the case of low-mAs.
Energy Technology Data Exchange (ETDEWEB)
Millis, Andrew [Columbia Univ., New York, NY (United States). Dept. of Physics
2016-11-17
Understanding the behavior of interacting electrons in molecules and solids so that one can predict new superconductors, catalysts, light harvesters, energy and battery materials and optimize existing ones is the ``quantum many-body problem’’. This is one of the scientific grand challenges of the 21^{st} century. A complete solution to the problem has been proven to be exponentially hard, meaning that straightforward numerical approaches fail. New insights and new methods are needed to provide accurate yet feasible approximate solutions. This CMSCN project brought together chemists and physicists to combine insights from the two disciplines to develop innovative new approaches. Outcomes included the Density Matrix Embedding method, a new, computationally inexpensive and extremely accurate approach that may enable first principles treatment of superconducting and magnetic properties of strongly correlated materials, new techniques for existing methods including an Adaptively Truncated Hilbert Space approach that will vastly expand the capabilities of the dynamical mean field method, a self-energy embedding theory and a new memory-function based approach to the calculations of the behavior of driven systems. The methods developed under this project are now being applied to improve our understanding of superconductivity, to calculate novel topological properties of materials and to characterize and improve the properties of nanoscale devices.
Dral, Pavlo O.; Owens, Alec; Yurchenko, Sergei N.; Thiel, Walter
2017-06-01
We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to automatically assign nuclear configurations from a pre-defined grid to the training and prediction sets, respectively. Accurate high-level ab initio energies are required only for the points in the training set, while the energies for the remaining points are provided by the ML model with negligible computational cost. The proposed sampling procedure is shown to be superior to random sampling and also eliminates the need for training several ML models. Self-correcting machine learning has been implemented such that each additional layer corrects errors from the previous layer. The performance of our approach is demonstrated in a case study on a published high-level ab initio PES of methyl chloride with 44 819 points. The ML model is trained on sets of different sizes and then used to predict the energies for tens of thousands of nuclear configurations within seconds. The resulting datasets are utilized in variational calculations of the vibrational energy levels of CH3Cl. By using both structure-based sampling and self-correction, the size of the training set can be kept small (e.g., 10% of the points) without any significant loss of accuracy. In ab initio rovibrational spectroscopy, it is thus possible to reduce the number of computationally costly electronic structure calculations through structure-based sampling and self-correcting KRR-based machine learning by up to 90%.
Yeo, Haram; Ki, Hyungson
2018-03-01
In this article, we present a novel numerical method for computing thermal residual stresses from a viewpoint of fluid-structure interaction (FSI). In a thermal processing of a material, residual stresses are developed as the material undergoes melting and solidification, and liquid, solid, and a mixture of liquid and solid (or mushy state) coexist and interact with each other during the process. In order to accurately account for the stress development during phase changes, we derived a unified momentum equation from the momentum equations of incompressible fluids and elastoplastic solids. In this approach, the whole fluid-structure system is treated as a single continuum, and the interaction between fluid and solid phases across the mushy zone is naturally taken into account in a monolithic way. For thermal analysis, an enthalpy-based method was employed. As a numerical example, a two-dimensional laser heating problem was considered, where a carbon steel sheet was heated by a Gaussian laser beam. Momentum and energy equations were discretized on a uniform Cartesian grid in a finite volume framework, and temperature-dependent material properties were used. The austenite-martensite phase transformation of carbon steel was also considered. In this study, the effects of solid strains, fluid flow, mushy zone size, and laser heating time on residual stress formation were investigated.
Highly accurate symplectic element based on two variational principles
Qing, Guanghui; Tian, Jia
2018-02-01
For the stability requirement of numerical resultants, the mathematical theory of classical mixed methods are relatively complex. However, generalized mixed methods are automatically stable, and their building process is simple and straightforward. In this paper, based on the seminal idea of the generalized mixed methods, a simple, stable, and highly accurate 8-node noncompatible symplectic element (NCSE8) was developed by the combination of the modified Hellinger-Reissner mixed variational principle and the minimum energy principle. To ensure the accuracy of in-plane stress results, a simultaneous equation approach was also suggested. Numerical experimentation shows that the accuracy of stress results of NCSE8 are nearly the same as that of displacement methods, and they are in good agreement with the exact solutions when the mesh is relatively fine. NCSE8 has advantages of the clearing concept, easy calculation by a finite element computer program, higher accuracy and wide applicability for various linear elasticity compressible and nearly incompressible material problems. It is possible that NCSE8 becomes even more advantageous for the fracture problems due to its better accuracy of stresses.
Rybynok, V. O.; Kyriacou, P. A.
2007-10-01
Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media.
Energy Technology Data Exchange (ETDEWEB)
Rybynok, V O; Kyriacou, P A [City University, London (United Kingdom)
2007-10-15
Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media.
International Nuclear Information System (INIS)
Rybynok, V O; Kyriacou, P A
2007-01-01
Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media
Quality Assurance Programme for Computed Tomography: Diagnostic and Therapy Applications
Energy Technology Data Exchange (ETDEWEB)
NONE
2012-08-15
This publication presents a harmonized approach to quality assurance in the field of computed tomography applied to both diagnostics and therapy. It gives a careful analysis of the principles and specific instructions that can be used for a quality assurance programme for optimal performance and reduced patient dose in diagnostic radiology. In some cases, radiotherapy programmes are making a transition from 2-D to 3-D radiotherapy, a complex process which critically depends on accurate treatment planning. In this respect, the authors also provide detailed information about the elements needed for quality assurance testing, including those relating to accurate patient characterization as needed for radiotherapy treatment planning.
Accurate calculation of Green functions on the d-dimensional hypercubic lattice
International Nuclear Information System (INIS)
Loh, Yen Lee
2011-01-01
We write the Green function of the d-dimensional hypercubic lattice in a piecewise form covering the entire real frequency axis. Each piece is a single integral involving modified Bessel functions of the first and second kinds. The smoothness of the integrand allows both real and imaginary parts of the Green function to be computed quickly and accurately for any dimension d and any real frequency, and the computational time scales only linearly with d.
How people learn while playing serious games: A computational modelling approach
Westera, Wim
2017-01-01
This paper proposes a computational modelling approach for investigating the interplay of learning and playing in serious games. A formal model is introduced that allows for studying the details of playing a serious game under diverse conditions. The dynamics of player action and motivation is based
Meher, Prabina Kumar; Sahu, Tanmaya Kumar; Banchariya, Anjali; Rao, Atmakuri Ramakrishna
2017-03-24
Insecticide resistance is a major challenge for the control program of insect pests in the fields of crop protection, human and animal health etc. Resistance to different insecticides is conferred by the proteins encoded from certain class of genes of the insects. To distinguish the insecticide resistant proteins from non-resistant proteins, no computational tool is available till date. Thus, development of such a computational tool will be helpful in predicting the insecticide resistant proteins, which can be targeted for developing appropriate insecticides. Five different sets of feature viz., amino acid composition (AAC), di-peptide composition (DPC), pseudo amino acid composition (PAAC), composition-transition-distribution (CTD) and auto-correlation function (ACF) were used to map the protein sequences into numeric feature vectors. The encoded numeric vectors were then used as input in support vector machine (SVM) for classification of insecticide resistant and non-resistant proteins. Higher accuracies were obtained under RBF kernel than that of other kernels. Further, accuracies were observed to be higher for DPC feature set as compared to others. The proposed approach achieved an overall accuracy of >90% in discriminating resistant from non-resistant proteins. Further, the two classes of resistant proteins i.e., detoxification-based and target-based were discriminated from non-resistant proteins with >95% accuracy. Besides, >95% accuracy was also observed for discrimination of proteins involved in detoxification- and target-based resistance mechanisms. The proposed approach not only outperformed Blastp, PSI-Blast and Delta-Blast algorithms, but also achieved >92% accuracy while assessed using an independent dataset of 75 insecticide resistant proteins. This paper presents the first computational approach for discriminating the insecticide resistant proteins from non-resistant proteins. Based on the proposed approach, an online prediction server DIRProt has
Multiscale Methods, Parallel Computation, and Neural Networks for Real-Time Computer Vision.
Battiti, Roberto
1990-01-01
This thesis presents new algorithms for low and intermediate level computer vision. The guiding ideas in the presented approach are those of hierarchical and adaptive processing, concurrent computation, and supervised learning. Processing of the visual data at different resolutions is used not only to reduce the amount of computation necessary to reach the fixed point, but also to produce a more accurate estimation of the desired parameters. The presented adaptive multiple scale technique is applied to the problem of motion field estimation. Different parts of the image are analyzed at a resolution that is chosen in order to minimize the error in the coefficients of the differential equations to be solved. Tests with video-acquired images show that velocity estimation is more accurate over a wide range of motion with respect to the homogeneous scheme. In some cases introduction of explicit discontinuities coupled to the continuous variables can be used to avoid propagation of visual information from areas corresponding to objects with different physical and/or kinematic properties. The human visual system uses concurrent computation in order to process the vast amount of visual data in "real -time." Although with different technological constraints, parallel computation can be used efficiently for computer vision. All the presented algorithms have been implemented on medium grain distributed memory multicomputers with a speed-up approximately proportional to the number of processors used. A simple two-dimensional domain decomposition assigns regions of the multiresolution pyramid to the different processors. The inter-processor communication needed during the solution process is proportional to the linear dimension of the assigned domain, so that efficiency is close to 100% if a large region is assigned to each processor. Finally, learning algorithms are shown to be a viable technique to engineer computer vision systems for different applications starting from
Adaptive zooming in X-ray computed tomography.
Dabravolski, Andrei; Batenburg, Kees Joost; Sijbers, Jan
2014-01-01
In computed tomography (CT), the source-detector system commonly rotates around the object in a circular trajectory. Such a trajectory does not allow to exploit a detector fully when scanning elongated objects. Increase the spatial resolution of the reconstructed image by optimal zooming during scanning. A new approach is proposed, in which the full width of the detector is exploited for every projection angle. This approach is based on the use of prior information about the object's convex hull to move the source as close as possible to the object, while avoiding truncation of the projections. Experiments show that the proposed approach can significantly improve reconstruction quality, producing reconstructions with smaller errors and revealing more details in the object. The proposed approach can lead to more accurate reconstructions and increased spatial resolution in the object compared to the conventional circular trajectory.
Directory of Open Access Journals (Sweden)
Zhiheng Wang
Full Text Available The precise prediction of protein intrinsically disordered regions, which play a crucial role in biological procedures, is a necessary prerequisite to further the understanding of the principles and mechanisms of protein function. Here, we propose a novel predictor, DisoMCS, which is a more accurate predictor of protein intrinsically disordered regions. The DisoMCS bases on an original multi-class conservative score (MCS obtained by sequence-order/disorder alignment. Initially, near-disorder regions are defined on fragments located at both the terminus of an ordered region connecting a disordered region. Then the multi-class conservative score is generated by sequence alignment against a known structure database and represented as order, near-disorder and disorder conservative scores. The MCS of each amino acid has three elements: order, near-disorder and disorder profiles. Finally, the MCS is exploited as features to identify disordered regions in sequences. DisoMCS utilizes a non-redundant data set as the training set, MCS and predicted secondary structure as features, and a conditional random field as the classification algorithm. In predicted near-disorder regions a residue is determined as an order or a disorder according to the optimized decision threshold. DisoMCS was evaluated by cross-validation, large-scale prediction, independent tests and CASP (Critical Assessment of Techniques for Protein Structure Prediction tests. All results confirmed that DisoMCS was very competitive in terms of accuracy of prediction when compared with well-established publicly available disordered region predictors. It also indicated our approach was more accurate when a query has higher homologous with the knowledge database.The DisoMCS is available at http://cal.tongji.edu.cn/disorder/.
Energy Technology Data Exchange (ETDEWEB)
Kelly, Aaron; Markland, Thomas E., E-mail: tmarkland@stanford.edu [Department of Chemistry, Stanford University, Stanford, California 94305 (United States); Brackbill, Nora [Department of Physics, Stanford University, Stanford, California 94305 (United States)
2015-03-07
In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.
Kelly, Aaron; Brackbill, Nora; Markland, Thomas E
2015-03-07
In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.
Computational intelligence approach for NOx emissions minimization in a coal-fired utility boiler
International Nuclear Information System (INIS)
Zhou Hao; Zheng Ligang; Cen Kefa
2010-01-01
The current work presented a computational intelligence approach used for minimizing NO x emissions in a 300 MW dual-furnaces coal-fired utility boiler. The fundamental idea behind this work included NO x emissions characteristics modeling and NO x emissions optimization. First, an objective function aiming at estimating NO x emissions characteristics from nineteen operating parameters of the studied boiler was represented by a support vector regression (SVR) model. Second, four levels of primary air velocities (PA) and six levels of secondary air velocities (SA) were regulated by using particle swarm optimization (PSO) so as to achieve low NO x emissions combustion. To reduce the time demanding, a more flexible stopping condition was used to improve the computational efficiency without the loss of the quality of the optimization results. The results showed that the proposed approach provided an effective way to reduce NO x emissions from 399.7 ppm to 269.3 ppm, which was much better than a genetic algorithm (GA) based method and was slightly better than an ant colony optimization (ACO) based approach reported in the earlier work. The main advantage of PSO was that the computational cost, typical of less than 25 s under a PC system, is much less than those required for ACO. This meant the proposed approach would be more applicable to online and real-time applications for NO x emissions minimization in actual power plant boilers.
A hybrid computational approach to estimate solar global radiation: An empirical evidence from Iran
International Nuclear Information System (INIS)
Mostafavi, Elham Sadat; Ramiyani, Sara Saeidi; Sarvar, Rahim; Moud, Hashem Izadi; Mousavi, Seyyed Mohammad
2013-01-01
This paper presents an innovative hybrid approach for the estimation of the solar global radiation. New prediction equations were developed for the global radiation using an integrated search method of genetic programming (GP) and simulated annealing (SA), called GP/SA. The solar radiation was formulated in terms of several climatological and meteorological parameters. Comprehensive databases containing monthly data collected for 6 years in two cities of Iran were used to develop GP/SA-based models. Separate models were established for each city. The generalization of the models was verified using a separate testing database. A sensitivity analysis was conducted to investigate the contribution of the parameters affecting the solar radiation. The derived models make accurate predictions of the solar global radiation and notably outperform the existing models. -- Highlights: ► A hybrid approach is presented for the estimation of the solar global radiation. ► The proposed method integrates the capabilities of GP and SA. ► Several climatological and meteorological parameters are included in the analysis. ► The GP/SA models make accurate predictions of the solar global radiation.
Accurate predictions for the LHC made easy
CERN. Geneva
2014-01-01
The data recorded by the LHC experiments is of a very high quality. To get the most out of the data, precise theory predictions, including uncertainty estimates, are needed to reduce as much as possible theoretical bias in the experimental analyses. Recently, significant progress has been made in computing Next-to-Leading Order (NLO) computations, including matching to the parton shower, that allow for these accurate, hadron-level predictions. I shall discuss one of these efforts, the MadGraph5_aMC@NLO program, that aims at the complete automation of predictions at the NLO accuracy within the SM as well as New Physics theories. I’ll illustrate some of the theoretical ideas behind this program, show some selected applications to LHC physics, as well as describe the future plans.
An approach for the accurate measurement of social morality levels.
Liu, Haiyan; Chen, Xia; Zhang, Bo
2013-01-01
In the social sciences, computer-based modeling has become an increasingly important tool receiving widespread attention. However, the derivation of the quantitative relationships linking individual moral behavior and social morality levels, so as to provide a useful basis for social policy-making, remains a challenge in the scholarly literature today. A quantitative measurement of morality from the perspective of complexity science constitutes an innovative attempt. Based on the NetLogo platform, this article examines the effect of various factors on social morality levels, using agents modeling moral behavior, immoral behavior, and a range of environmental social resources. Threshold values for the various parameters are obtained through sensitivity analysis; and practical solutions are proposed for reversing declines in social morality levels. The results show that: (1) Population size may accelerate or impede the speed with which immoral behavior comes to determine the overall level of social morality, but it has no effect on the level of social morality itself; (2) The impact of rewards and punishment on social morality levels follows the "5∶1 rewards-to-punishment rule," which is to say that 5 units of rewards have the same effect as 1 unit of punishment; (3) The abundance of public resources is inversely related to the level of social morality; (4) When the cost of population mobility reaches 10% of the total energy level, immoral behavior begins to be suppressed (i.e. the 1/10 moral cost rule). The research approach and methods presented in this paper successfully address the difficulties involved in measuring social morality levels, and promise extensive application potentials.
Multilevel criticality computations in AREVA NP'S core simulation code artemis - 195
International Nuclear Information System (INIS)
Van Geemert, R.
2010-01-01
This paper discusses the multi-level critical boron iteration approach that is applied per default in AREVA NP's whole-core neutronics and thermal hydraulics core simulation program ARTEMIS. This multi-level approach is characterized by the projection of variational boron concentration adjustments to the coarser mesh levels in a multi-level re-balancing hierarchy that is associated with the nodal flux equations to be solved in steady-state core simulation. At each individual re-balancing mesh level, optimized variational criticality tuning formulas are applied. The latter drive the core model to a numerically highly accurate self-sustaining state (i.e. with the neutronic eigenvalue being 1 up to a very high numerical precision) by continuous adjustment of the boron concentration as a system-wide scalar criticality parameter. Due to the default application of this approach in ARTEMIS reactor cycle simulations, an accuracy of all critical boron concentration estimates better than 0.001 ppm is enabled for all burnup time steps in a computationally efficient way. This high accuracy is relevant for precision optimization in industrial core simulation as well as for enabling accurate reactivity perturbation assessments. The developed approach is presented from a numerical methodology point of view with an emphasis on the multi-grid aspect of the concept. Furthermore, an application-relevant verification is presented in terms of achieved coupled iteration convergence efficiency for an application-representative industrial core cycle computation. (authors)
Directory of Open Access Journals (Sweden)
Coen Pramono D
2005-03-01
Full Text Available Functional and aesthetic dysgnathia surgery requires accurate pre-surgical planning, including the surgical technique to be used related with the difference of anatomical structures amongst individuals. Programs that simulate the surgery become increasingly important. This can be mediated by using a surgical model, conventional x-rays as panoramic, cephalometric projections and another sophisticated method such as a three dimensional computed tomography (3 D-CT. A patient who had undergone double jaw surgeries with difficult anatomical landmarks was presented. In this case the mandible foramens were seen highly relatively related to the sigmoid notches. Therefore, ensuring the bone incisions in sagittal split was presumed to be difficult. A 3D-CT was made and considered to be very helpful in supporting the pre-operative diagnostic.
Crowd Computing as a Cooperation Problem: An Evolutionary Approach
Christoforou, Evgenia; Fernández Anta, Antonio; Georgiou, Chryssis; Mosteiro, Miguel A.; Sánchez, Angel
2013-05-01
Cooperation is one of the socio-economic issues that has received more attention from the physics community. The problem has been mostly considered by studying games such as the Prisoner's Dilemma or the Public Goods Game. Here, we take a step forward by studying cooperation in the context of crowd computing. We introduce a model loosely based on Principal-agent theory in which people (workers) contribute to the solution of a distributed problem by computing answers and reporting to the problem proposer (master). To go beyond classical approaches involving the concept of Nash equilibrium, we work on an evolutionary framework in which both the master and the workers update their behavior through reinforcement learning. Using a Markov chain approach, we show theoretically that under certain----not very restrictive—conditions, the master can ensure the reliability of the answer resulting of the process. Then, we study the model by numerical simulations, finding that convergence, meaning that the system reaches a point in which it always produces reliable answers, may in general be much faster than the upper bounds given by the theoretical calculation. We also discuss the effects of the master's level of tolerance to defectors, about which the theory does not provide information. The discussion shows that the system works even with very large tolerances. We conclude with a discussion of our results and possible directions to carry this research further.
Hsu, Ching-Kun; Hwang, Gwo-Jen
2014-01-01
Personal computer assembly courses have been recognized as being essential in helping students understand computer structure as well as the functionality of each computer component. In this study, a context-aware ubiquitous learning approach is proposed for providing instant assistance to individual students in the learning activity of a…
Linear stability analysis of detonations via numerical computation and dynamic mode decomposition
Kabanov, Dmitry I.
2017-12-08
We introduce a new method to investigate linear stability of gaseous detonations that is based on an accurate shock-fitting numerical integration of the linearized reactive Euler equations with a subsequent analysis of the computed solution via the dynamic mode decomposition. The method is applied to the detonation models based on both the standard one-step Arrhenius kinetics and two-step exothermic-endothermic reaction kinetics. Stability spectra for all cases are computed and analyzed. The new approach is shown to be a viable alternative to the traditional normal-mode analysis used in detonation theory.
International Nuclear Information System (INIS)
Miranda, Christiana Maia Nobre Rocha de; Padilha, Igor Gomes; Farias, Lucas de Padua Gomes de; Rocha, Milzi Sarmento da; Maranhao, Carol Pontes de Miranda; Santos, Carla Jotta Justo dos
2014-01-01
Renal cystic lesions are usually diagnosed in the radiologists' practice and therefore their characterization is crucial to determine the clinical approach to be adopted and prognosis. The Bosniak classification based on computed tomography findings has allowed for standardization and categorization of lesions in increasing order of malignancy (I, II, IIF, III and IV) in a simple and accurate way. The present iconographic essay developed with multidetector computed tomography images of selected cases from the archives of the authors' institution, is aimed at describing imaging findings that can help in the diagnosis of renal cysts. (author)
Linear stability analysis of detonations via numerical computation and dynamic mode decomposition
Kabanov, Dmitry; Kasimov, Aslan R.
2018-01-01
We introduce a new method to investigate linear stability of gaseous detonations that is based on an accurate shock-fitting numerical integration of the linearized reactive Euler equations with a subsequent analysis of the computed solution via the dynamic mode decomposition. The method is applied to the detonation models based on both the standard one-step Arrhenius kinetics and two-step exothermic-endothermic reaction kinetics. Stability spectra for all cases are computed and analyzed. The new approach is shown to be a viable alternative to the traditional normal-mode analysis used in detonation theory.
Linear stability analysis of detonations via numerical computation and dynamic mode decomposition
Kabanov, Dmitry
2018-03-20
We introduce a new method to investigate linear stability of gaseous detonations that is based on an accurate shock-fitting numerical integration of the linearized reactive Euler equations with a subsequent analysis of the computed solution via the dynamic mode decomposition. The method is applied to the detonation models based on both the standard one-step Arrhenius kinetics and two-step exothermic-endothermic reaction kinetics. Stability spectra for all cases are computed and analyzed. The new approach is shown to be a viable alternative to the traditional normal-mode analysis used in detonation theory.
Kong, Hao; Ma, Zhuoran; Wang, Song; Gong, Xiaoyun; Zhang, Sichun; Zhang, Xinrong
2014-08-05
With the inspiration of an ancient Chinese poison test approach, we report a rapid hydrogen sulfide detection strategy in specific areas of live cells using silver needles with good spatial resolution of 2 × 2 μm(2). Besides the accurate-localization ability, this reflection-based strategy also has attractive merits of convenience and robust response when free pretreatment and short detection time are concerned. The success of endogenous H2S level evaluation in cellular cytoplasm and nuclear of human A549 cells promises the application potential of our strategy in scientific research and medical diagnosis.
Reducing dose calculation time for accurate iterative IMRT planning
International Nuclear Information System (INIS)
Siebers, Jeffrey V.; Lauterbach, Marc; Tong, Shidong; Wu Qiuwen; Mohan, Radhe
2002-01-01
A time-consuming component of IMRT optimization is the dose computation required in each iteration for the evaluation of the objective function. Accurate superposition/convolution (SC) and Monte Carlo (MC) dose calculations are currently considered too time-consuming for iterative IMRT dose calculation. Thus, fast, but less accurate algorithms such as pencil beam (PB) algorithms are typically used in most current IMRT systems. This paper describes two hybrid methods that utilize the speed of fast PB algorithms yet achieve the accuracy of optimizing based upon SC algorithms via the application of dose correction matrices. In one method, the ratio method, an infrequently computed voxel-by-voxel dose ratio matrix (R=D SC /D PB ) is applied for each beam to the dose distributions calculated with the PB method during the optimization. That is, D PB xR is used for the dose calculation during the optimization. The optimization proceeds until both the IMRT beam intensities and the dose correction ratio matrix converge. In the second method, the correction method, a periodically computed voxel-by-voxel correction matrix for each beam, defined to be the difference between the SC and PB dose computations, is used to correct PB dose distributions. To validate the methods, IMRT treatment plans developed with the hybrid methods are compared with those obtained when the SC algorithm is used for all optimization iterations and with those obtained when PB-based optimization is followed by SC-based optimization. In the 12 patient cases studied, no clinically significant differences exist in the final treatment plans developed with each of the dose computation methodologies. However, the number of time-consuming SC iterations is reduced from 6-32 for pure SC optimization to four or less for the ratio matrix method and five or less for the correction method. Because the PB algorithm is faster at computing dose, this reduces the inverse planning optimization time for our implementation
Computer-Aided Approaches for Targeting HIVgp41
Directory of Open Access Journals (Sweden)
William J. Allen
2012-08-01
Full Text Available Virus-cell fusion is the primary means by which the human immunodeficiency virus-1 (HIV delivers its genetic material into the human T-cell host. Fusion is mediated in large part by the viral glycoprotein 41 (gp41 which advances through four distinct conformational states: (i native, (ii pre-hairpin intermediate, (iii fusion active (fusogenic, and (iv post-fusion. The pre-hairpin intermediate is a particularly attractive step for therapeutic intervention given that gp41 N-terminal heptad repeat (NHR and C‑terminal heptad repeat (CHR domains are transiently exposed prior to the formation of a six-helix bundle required for fusion. Most peptide-based inhibitors, including the FDA‑approved drug T20, target the intermediate and there are significant efforts to develop small molecule alternatives. Here, we review current approaches to studying interactions of inhibitors with gp41 with an emphasis on atomic-level computer modeling methods including molecular dynamics, free energy analysis, and docking. Atomistic modeling yields a unique level of structural and energetic detail, complementary to experimental approaches, which will be important for the design of improved next generation anti-HIV drugs.
Directory of Open Access Journals (Sweden)
Kristoffer Carl Aberg
Full Text Available Learning how to gain rewards (approach learning and avoid punishments (avoidance learning is fundamental for everyday life. While individual differences in approach and avoidance learning styles have been related to genetics and aging, the contribution of personality factors, such as traits, remains undetermined. Moreover, little is known about the computational mechanisms mediating differences in learning styles. Here, we used a probabilistic selection task with positive and negative feedbacks, in combination with computational modelling, to show that individuals displaying better approach (vs. avoidance learning scored higher on measures of approach (vs. avoidance trait motivation, but, paradoxically, also displayed reduced learning speed following positive (vs. negative outcomes. These data suggest that learning different types of information depend on associated reward values and internal motivational drives, possibly determined by personality traits.
Carl Aberg, Kristoffer; Doell, Kimberly C.; Schwartz, Sophie
2016-01-01
Learning how to gain rewards (approach learning) and avoid punishments (avoidance learning) is fundamental for everyday life. While individual differences in approach and avoidance learning styles have been related to genetics and aging, the contribution of personality factors, such as traits, remains undetermined. Moreover, little is known about the computational mechanisms mediating differences in learning styles. Here, we used a probabilistic selection task with positive and negative feedbacks, in combination with computational modelling, to show that individuals displaying better approach (vs. avoidance) learning scored higher on measures of approach (vs. avoidance) trait motivation, but, paradoxically, also displayed reduced learning speed following positive (vs. negative) outcomes. These data suggest that learning different types of information depend on associated reward values and internal motivational drives, possibly determined by personality traits. PMID:27851807
Drake, Jeffrey T.; Prasad, Nadipuram R.
1999-01-01
This paper surveys recent advances in communications that utilize soft computing approaches to phase synchronization. Soft computing, as opposed to hard computing, is a collection of complementary methodologies that act in producing the most desirable control, decision, or estimation strategies. Recently, the communications area has explored the use of the principal constituents of soft computing, namely, fuzzy logic, neural networks, and genetic algorithms, for modeling, control, and most recently for the estimation of phase in phase-coherent communications. If the receiver in a digital communications system is phase-coherent, as is often the case, phase synchronization is required. Synchronization thus requires estimation and/or control at the receiver of an unknown or random phase offset.
DEFF Research Database (Denmark)
Tsakonas, Athanasios; Dounias, Georgios; Jantzen, Jan
2001-01-01
The paper suggests the combined use of different computational intelligence (CI) techniques in a hybrid scheme, as an effective approach to medical diagnosis. Getting to know the advantages and disadvantages of each computational intelligence technique in the recent years, the time has come...
Сlassification of methods of production of computer forensic by usage approach of graph theory
Anna Ravilyevna Smolina; Alexander Alexandrovich Shelupanov
2016-01-01
Сlassification of methods of production of computer forensic by usage approach of graph theory is proposed. If use this classification, it is possible to accelerate and simplify the search of methods of production of computer forensic and this process to automatize.
A multiresolution approach to iterative reconstruction algorithms in X-ray computed tomography.
De Witte, Yoni; Vlassenbroeck, Jelle; Van Hoorebeke, Luc
2010-09-01
In computed tomography, the application of iterative reconstruction methods in practical situations is impeded by their high computational demands. Especially in high resolution X-ray computed tomography, where reconstruction volumes contain a high number of volume elements (several giga voxels), this computational burden prevents their actual breakthrough. Besides the large amount of calculations, iterative algorithms require the entire volume to be kept in memory during reconstruction, which quickly becomes cumbersome for large data sets. To overcome this obstacle, we present a novel multiresolution reconstruction, which greatly reduces the required amount of memory without significantly affecting the reconstructed image quality. It is shown that, combined with an efficient implementation on a graphical processing unit, the multiresolution approach enables the application of iterative algorithms in the reconstruction of large volumes at an acceptable speed using only limited resources.
Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina
2013-03-12
A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.
Benchmarking of computer codes and approaches for modeling exposure scenarios
International Nuclear Information System (INIS)
Seitz, R.R.; Rittmann, P.D.; Wood, M.I.; Cook, J.R.
1994-08-01
The US Department of Energy Headquarters established a performance assessment task team (PATT) to integrate the activities of DOE sites that are preparing performance assessments for the disposal of newly generated low-level waste. The PATT chartered a subteam with the task of comparing computer codes and exposure scenarios used for dose calculations in performance assessments. This report documents the efforts of the subteam. Computer codes considered in the comparison include GENII, PATHRAE-EPA, MICROSHIELD, and ISOSHLD. Calculations were also conducted using spreadsheets to provide a comparison at the most fundamental level. Calculations and modeling approaches are compared for unit radionuclide concentrations in water and soil for the ingestion, inhalation, and external dose pathways. Over 30 tables comparing inputs and results are provided
A reduced-order filtering approach for 3D dynamical electrical impedance tomography
International Nuclear Information System (INIS)
Voutilainen, A; Lehikoinen, A; Vauhkonen, M; Kaipio, J P
2011-01-01
Recently, it has been shown that the state estimation approach to process tomography can provide estimates that are significantly better than (a sequence of) conventional stationary snapshot estimates. One of the main obstacles of the adoption of the recursive state estimation algorithms, most commonly different versions of the Kalman filter, is the computational complexity. This is due to both the required large dimension for the state variable and the need to use iterative versions of the Kalman filter in such cases in which there are large contrasts or varying background. In this paper, we propose to use a reduced-order representation for the state variable. In particular, we propose to use the proper orthogonal decomposition-related basis for the state. We consider a simulation study with fluctuating background conductivity, and, in particular, with fluctuating contact impedances. We compare the proposed approach to three different versions of the Kalman filter having different computational complexities. We show that this approach allows the reduction of the dimension of the problem approximately by an order of magnitude and yields essentially as accurate estimates as the most accurate traditional Kalman filter version, the iterated extended Kalman filter
Advanced approaches to characterize the human intestinal microbiota by computational meta-analysis
Nikkilä, J.; Vos, de W.M.
2010-01-01
GOALS: We describe advanced approaches for the computational meta-analysis of a collection of independent studies, including over 1000 phylogenetic array datasets, as a means to characterize the variability of human intestinal microbiota. BACKGROUND: The human intestinal microbiota is a complex
Сlassification of methods of production of computer forensic by usage approach of graph theory
Directory of Open Access Journals (Sweden)
Anna Ravilyevna Smolina
2016-06-01
Full Text Available Сlassification of methods of production of computer forensic by usage approach of graph theory is proposed. If use this classification, it is possible to accelerate and simplify the search of methods of production of computer forensic and this process to automatize.
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.
Ramakrishnan, Raghunathan; Dral, Pavlo O; Rupp, Matthias; von Lilienfeld, O Anatole
2015-05-12
Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationally inexpensive approximate legacy quantum methods. After training, highly accurate predictions of enthalpies, free energies, entropies, and electron correlation energies are possible, for significantly larger molecular sets than used for training. For thermochemical properties of up to 16k isomers of C7H10O2 we present numerical evidence that chemical accuracy can be reached. We also predict electron correlation energy in post Hartree-Fock methods, at the computational cost of Hartree-Fock, and we establish a qualitative relationship between molecular entropy and electron correlation. The transferability of our approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy.
Computational botany methods for automated species identification
Remagnino, Paolo; Wilkin, Paul; Cope, James; Kirkup, Don
2017-01-01
This book discusses innovative methods for mining information from images of plants, especially leaves, and highlights the diagnostic features that can be implemented in fully automatic systems for identifying plant species. Adopting a multidisciplinary approach, it explores the problem of plant species identification, covering both the concepts of taxonomy and morphology. It then provides an overview of morphometrics, including the historical background and the main steps in the morphometric analysis of leaves together with a number of applications. The core of the book focuses on novel diagnostic methods for plant species identification developed from a computer scientist’s perspective. It then concludes with a chapter on the characterization of botanists' visions, which highlights important cognitive aspects that can be implemented in a computer system to more accurately replicate the human expert’s fixation process. The book not only represents an authoritative guide to advanced computational tools fo...
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.
Burusco, Kepa K; Bruce, Neil J; Alibay, Irfan; Bryce, Richard A
2015-10-26
Free energy simulations are an established computational tool in modelling chemical change in the condensed phase. However, sampling of kinetically distinct substates remains a challenge to these approaches. As a route to addressing this, we link the methods of thermodynamic integration (TI) and swarm-enhanced sampling molecular dynamics (sesMD), where simulation replicas interact cooperatively to aid transitions over energy barriers. We illustrate the approach by using alchemical alkane transformations in solution, comparing them with the multiple independent trajectory TI (IT-TI) method. Free energy changes for transitions computed by using IT-TI grew increasingly inaccurate as the intramolecular barrier was heightened. By contrast, swarm-enhanced sampling TI (sesTI) calculations showed clear improvements in sampling efficiency, leading to more accurate computed free energy differences, even in the case of the highest barrier height. The sesTI approach, therefore, has potential in addressing chemical change in systems where conformations exist in slow exchange. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Genometa--a fast and accurate classifier for short metagenomic shotgun reads.
Davenport, Colin F; Neugebauer, Jens; Beckmann, Nils; Friedrich, Benedikt; Kameri, Burim; Kokott, Svea; Paetow, Malte; Siekmann, Björn; Wieding-Drewes, Matthias; Wienhöfer, Markus; Wolf, Stefan; Tümmler, Burkhard; Ahlers, Volker; Sprengel, Frauke
2012-01-01
Metagenomic studies use high-throughput sequence data to investigate microbial communities in situ. However, considerable challenges remain in the analysis of these data, particularly with regard to speed and reliable analysis of microbial species as opposed to higher level taxa such as phyla. We here present Genometa, a computationally undemanding graphical user interface program that enables identification of bacterial species and gene content from datasets generated by inexpensive high-throughput short read sequencing technologies. Our approach was first verified on two simulated metagenomic short read datasets, detecting 100% and 94% of the bacterial species included with few false positives or false negatives. Subsequent comparative benchmarking analysis against three popular metagenomic algorithms on an Illumina human gut dataset revealed Genometa to attribute the most reads to bacteria at species level (i.e. including all strains of that species) and demonstrate similar or better accuracy than the other programs. Lastly, speed was demonstrated to be many times that of BLAST due to the use of modern short read aligners. Our method is highly accurate if bacteria in the sample are represented by genomes in the reference sequence but cannot find species absent from the reference. This method is one of the most user-friendly and resource efficient approaches and is thus feasible for rapidly analysing millions of short reads on a personal computer. The Genometa program, a step by step tutorial and Java source code are freely available from http://genomics1.mh-hannover.de/genometa/ and on http://code.google.com/p/genometa/. This program has been tested on Ubuntu Linux and Windows XP/7.
Genometa--a fast and accurate classifier for short metagenomic shotgun reads.
Directory of Open Access Journals (Sweden)
Colin F Davenport
Full Text Available Metagenomic studies use high-throughput sequence data to investigate microbial communities in situ. However, considerable challenges remain in the analysis of these data, particularly with regard to speed and reliable analysis of microbial species as opposed to higher level taxa such as phyla. We here present Genometa, a computationally undemanding graphical user interface program that enables identification of bacterial species and gene content from datasets generated by inexpensive high-throughput short read sequencing technologies. Our approach was first verified on two simulated metagenomic short read datasets, detecting 100% and 94% of the bacterial species included with few false positives or false negatives. Subsequent comparative benchmarking analysis against three popular metagenomic algorithms on an Illumina human gut dataset revealed Genometa to attribute the most reads to bacteria at species level (i.e. including all strains of that species and demonstrate similar or better accuracy than the other programs. Lastly, speed was demonstrated to be many times that of BLAST due to the use of modern short read aligners. Our method is highly accurate if bacteria in the sample are represented by genomes in the reference sequence but cannot find species absent from the reference. This method is one of the most user-friendly and resource efficient approaches and is thus feasible for rapidly analysing millions of short reads on a personal computer.The Genometa program, a step by step tutorial and Java source code are freely available from http://genomics1.mh-hannover.de/genometa/ and on http://code.google.com/p/genometa/. This program has been tested on Ubuntu Linux and Windows XP/7.
A Trace Data-Based Approach for an Accurate Estimation of Precise Utilization Maps in LTE
Directory of Open Access Journals (Sweden)
Almudena Sánchez
2017-01-01
Full Text Available For network planning and optimization purposes, mobile operators make use of Key Performance Indicators (KPIs, computed from Performance Measurements (PMs, to determine whether network performance needs to be improved. In current networks, PMs, and therefore KPIs, suffer from lack of precision due to an insufficient temporal and/or spatial granularity. In this work, an automatic method, based on data traces, is proposed to improve the accuracy of radio network utilization measurements collected in a Long-Term Evolution (LTE network. The method’s output is an accurate estimate of the spatial and temporal distribution for the cell utilization ratio that can be extended to other indicators. The method can be used to improve automatic network planning and optimization algorithms in a centralized Self-Organizing Network (SON entity, since potential issues can be more precisely detected and located inside a cell thanks to temporal and spatial precision. The proposed method is tested with real connection traces gathered in a large geographical area of a live LTE network and considers overload problems due to trace file size limitations, which is a key consideration when analysing a large network. Results show how these distributions provide a very detailed information of network utilization, compared to cell based statistics.
Soft computing approach to 3D lung nodule segmentation in CT.
Badura, P; Pietka, E
2014-10-01
This paper presents a novel, multilevel approach to the segmentation of various types of pulmonary nodules in computed tomography studies. It is based on two branches of computational intelligence: the fuzzy connectedness (FC) and the evolutionary computation. First, the image and auxiliary data are prepared for the 3D FC analysis during the first stage of an algorithm - the masks generation. Its main goal is to process some specific types of nodules connected to the pleura or vessels. It consists of some basic image processing operations as well as dedicated routines for the specific cases of nodules. The evolutionary computation is performed on the image and seed points in order to shorten the FC analysis and improve its accuracy. After the FC application, the remaining vessels are removed during the postprocessing stage. The method has been validated using the first dataset of studies acquired and described by the Lung Image Database Consortium (LIDC) and by its latest release - the LIDC-IDRI (Image Database Resource Initiative) database. Copyright © 2014 Elsevier Ltd. All rights reserved.
Computational approaches in the design of synthetic receptors - A review.
Cowen, Todd; Karim, Kal; Piletsky, Sergey
2016-09-14
The rational design of molecularly imprinted polymers (MIPs) has been a major contributor to their reputation as "plastic antibodies" - high affinity robust synthetic receptors which can be optimally designed, and produced for a much reduced cost than their biological equivalents. Computational design has become a routine procedure in the production of MIPs, and has led to major advances in functional monomer screening, selection of cross-linker and solvent, optimisation of monomer(s)-template ratio and selectivity analysis. In this review the various computational methods will be discussed with reference to all the published relevant literature since the end of 2013, with each article described by the target molecule, the computational approach applied (whether molecular mechanics/molecular dynamics, semi-empirical quantum mechanics, ab initio quantum mechanics (Hartree-Fock, Møller-Plesset, etc.) or DFT) and the purpose for which they were used. Detailed analysis is given to novel techniques including analysis of polymer binding sites, the use of novel screening programs and simulations of MIP polymerisation reaction. The further advances in molecular modelling and computational design of synthetic receptors in particular will have serious impact on the future of nanotechnology and biotechnology, permitting the further translation of MIPs into the realms of analytics and medical technology. Copyright © 2016 Elsevier B.V. All rights reserved.
Possible Computer Vision Systems and Automated or Computer-Aided Edging and Trimming
Philip A. Araman
1990-01-01
This paper discusses research which is underway to help our industry reduce costs, increase product volume and value recovery, and market more accurately graded and described products. The research is part of a team effort to help the hardwood sawmill industry automate with computer vision systems, and computer-aided or computer controlled processing. This paper...
Hwang, Gwo-Jen; Sung, Han-Yu; Hung, Chun-Ming; Yang, Li-Hsueh; Huang, Iwen
2013-01-01
Educational computer games have been recognized as being a promising approach for motivating students to learn. Nevertheless, previous studies have shown that without proper learning strategies or supportive models, the learning achievement of students might not be as good as expected. In this study, a knowledge engineering approach is proposed…
International Nuclear Information System (INIS)
Ahmadkhaniha, Reza; Shafiee, Abbas; Rastkari, Noushin; Kobarfard, Farzad
2009-01-01
Determination of endogenous steroids in complex matrices such as cattle's meat is a challenging task. Since endogenous steroids always exist in animal tissues, no analyte-free matrices for constructing the standard calibration line will be available, which is crucial for accurate quantification specially at trace level. Although some methods have been proposed to solve the problem, none has offered a complete solution. To this aim, a new quantification strategy was developed in this study, which is named 'surrogate analyte approach' and is based on using isotope-labeled standards instead of natural form of endogenous steroids for preparing the calibration line. In comparison with the other methods, which are currently in use for the quantitation of endogenous steroids, this approach provides improved simplicity and speed for analysis on a routine basis. The accuracy of this method is better than other methods at low concentration and comparable to the standard addition at medium and high concentrations. The method was also found to be valid according to the ICH criteria for bioanalytical methods. The developed method could be a promising approach in the field of compounds residue analysis
A chemical approach to accurately characterize the coverage rate of gold nanoparticles
International Nuclear Information System (INIS)
Zhu, Xiaoli; Liu, Min; Zhang, Huihui; Wang, Haiyan; Li, Genxi
2013-01-01
Gold nanoparticles (AuNPs) have been widely used in many areas, and the nanoparticles usually have to be functionalized with some molecules before use. However, the information about the characterization of the functionalization of the nanoparticles is still limited or unclear, which has greatly restricted the better functionalization and application of AuNPs. Here, we propose a chemical way to accurately characterize the functionalization of AuNPs. Unlike the traditional physical methods, this method, which is based on the catalytic property of AuNPs, may give accurate coverage rate and some derivative information about the functionalization of the nanoparticles with different kinds of molecules. The performance of the characterization has been approved by adopting three independent molecules to functionalize AuNPs, including both covalent and non-covalent functionalization. Some interesting results are thereby obtained, and some are the first time to be revealed. The method may also be further developed as a useful tool for the characterization of a solid surface
A chemical approach to accurately characterize the coverage rate of gold nanoparticles
Energy Technology Data Exchange (ETDEWEB)
Zhu, Xiaoli; Liu, Min; Zhang, Huihui [Shanghai University, Laboratory of Biosensing Technology, School of Life Sciences (China); Wang, Haiyan [Nanjing University, State Key Laboratory of Pharmaceutical Biotechnology, Department of Biochemistry (China); Li, Genxi, E-mail: genxili@nju.edu.cn [Shanghai University, Laboratory of Biosensing Technology, School of Life Sciences (China)
2013-09-15
Gold nanoparticles (AuNPs) have been widely used in many areas, and the nanoparticles usually have to be functionalized with some molecules before use. However, the information about the characterization of the functionalization of the nanoparticles is still limited or unclear, which has greatly restricted the better functionalization and application of AuNPs. Here, we propose a chemical way to accurately characterize the functionalization of AuNPs. Unlike the traditional physical methods, this method, which is based on the catalytic property of AuNPs, may give accurate coverage rate and some derivative information about the functionalization of the nanoparticles with different kinds of molecules. The performance of the characterization has been approved by adopting three independent molecules to functionalize AuNPs, including both covalent and non-covalent functionalization. Some interesting results are thereby obtained, and some are the first time to be revealed. The method may also be further developed as a useful tool for the characterization of a solid surface.
Simple, accurate equations for human blood O2 dissociation computations.
Severinghaus, J W
1979-03-01
Hill's equation can be slightly modified to fit the standard human blood O2 dissociation curve to within plus or minus 0.0055 fractional saturation (S) from O less than S less than 1. Other modifications of Hill's equation may be used to compute Po2 (Torr) from S (Eq. 2), and the temperature coefficient of Po2 (Eq. 3). Variations of the Bohr coefficient with Po2 are given by Eq. 4. S = (((Po2(3) + 150 Po2)(-1) x 23,400) + 1)(-1) (1) In Po2 = 0.385 In (S-1 - 1)(-1) + 3.32 - (72 S)(-1) - 0.17(S6) (2) DELTA In Po2/delta T = 0.058 ((0.243 X Po2/100)(3.88) + 1)(-1) + 0.013 (3) delta In Po2/delta pH = (Po2/26.6)(0.184) - 2.2 (4) Procedures are described to determine Po2 and S of blood iteratively after extraction or addition of a defined amount of O2 and to compute P50 of blood from a single sample after measuring Po2, pH, and S.
High fidelity thermal-hydraulic analysis using CFD and massively parallel computers
International Nuclear Information System (INIS)
Weber, D.P.; Wei, T.Y.C.; Brewster, R.A.; Rock, Daniel T.; Rizwan-uddin
2000-01-01
accurately determine cross-flow and mixing effects within the subassembly. This analysis also provides detailed thermal profiles for more accurate assessment of thermal conditions such as approach to local boiling. The second restriction was also removed by using similar level high fidelity models in the surrounding subassemblies. Thus, there was no need for using simplified representative pin analyses in the surrounding assemblies and the correct inter-assembly flows were calculated directly. The results of these calculations demonstrate the ability of large scale, high fidelity CFD calculations to perform core design and reload analysis in a reasonable amount of time on massively parallel computers. This approach provides quantitative detail on the flow implications of proposed spacer grids and mixing vanes and provides necessary porous media flow coefficient information for subsequent whole core calculations. The fine detail multiple assembly calculation demonstrates the ability to perform high fidelity design calculations to more accurately determine thermal conditions and safety margins. Such detailed thermal hydraulic analyses with well established commercial CFD codes offer the possibility of building a fully integrated neutronic-thermal hydraulic design capability. (J.P.N.)
Solvent effect on indocyanine dyes: A computational approach
International Nuclear Information System (INIS)
Bertolino, Chiara A.; Ferrari, Anna M.; Barolo, Claudia; Viscardi, Guido; Caputo, Giuseppe; Coluccia, Salvatore
2006-01-01
The solvatochromic behaviour of a series of indocyanine dyes (Dyes I-VIII) was investigated by quantum chemical calculations. The effect of the polymethine chain length and of the indolenine structure has been satisfactorily reproduced by semiempirical Pariser-Parr-Pople (PPP) calculations. The solvatochromism of 3,3,3',3'-tetramethyl-N,N'-diethylindocarbocyanine iodide (Dye I) has been deeply investigated within the ab initio time-dependent density functional theory (TD-DFT) approach. Dye I undergoes non-polar solvation and a linear correlation has been individuated between absorption shifts and refractive index. Computed absorption λ max and oscillator strengths obtained by TD-DFT are in good agreement with the experimental data
A Computer Vision Approach to Identify Einstein Rings and Arcs
Lee, Chien-Hsiu
2017-03-01
Einstein rings are rare gems of strong lensing phenomena; the ring images can be used to probe the underlying lens gravitational potential at every position angles, tightly constraining the lens mass profile. In addition, the magnified images also enable us to probe high-z galaxies with enhanced resolution and signal-to-noise ratios. However, only a handful of Einstein rings have been reported, either from serendipitous discoveries or or visual inspections of hundred thousands of massive galaxies or galaxy clusters. In the era of large sky surveys, an automated approach to identify ring pattern in the big data to come is in high demand. Here, we present an Einstein ring recognition approach based on computer vision techniques. The workhorse is the circle Hough transform that recognise circular patterns or arcs in the images. We propose a two-tier approach by first pre-selecting massive galaxies associated with multiple blue objects as possible lens, than use Hough transform to identify circular pattern. As a proof-of-concept, we apply our approach to SDSS, with a high completeness, albeit with low purity. We also apply our approach to other lenses in DES, HSC-SSP, and UltraVISTA survey, illustrating the versatility of our approach.
Stochastic Computational Approach for Complex Nonlinear Ordinary Differential Equations
International Nuclear Information System (INIS)
Khan, Junaid Ali; Raja, Muhammad Asif Zahoor; Qureshi, Ijaz Mansoor
2011-01-01
We present an evolutionary computational approach for the solution of nonlinear ordinary differential equations (NLODEs). The mathematical modeling is performed by a feed-forward artificial neural network that defines an unsupervised error. The training of these networks is achieved by a hybrid intelligent algorithm, a combination of global search with genetic algorithm and local search by pattern search technique. The applicability of this approach ranges from single order NLODEs, to systems of coupled differential equations. We illustrate the method by solving a variety of model problems and present comparisons with solutions obtained by exact methods and classical numerical methods. The solution is provided on a continuous finite time interval unlike the other numerical techniques with comparable accuracy. With the advent of neuroprocessors and digital signal processors the method becomes particularly interesting due to the expected essential gains in the execution speed. (general)
Computational Approaches for Integrative Analysis of the Metabolome and Microbiome
Directory of Open Access Journals (Sweden)
Jasmine Chong
2017-11-01
Full Text Available The study of the microbiome, the totality of all microbes inhabiting the host or an environmental niche, has experienced exponential growth over the past few years. The microbiome contributes functional genes and metabolites, and is an important factor for maintaining health. In this context, metabolomics is increasingly applied to complement sequencing-based approaches (marker genes or shotgun metagenomics to enable resolution of microbiome-conferred functionalities associated with health. However, analyzing the resulting multi-omics data remains a significant challenge in current microbiome studies. In this review, we provide an overview of different computational approaches that have been used in recent years for integrative analysis of metabolome and microbiome data, ranging from statistical correlation analysis to metabolic network-based modeling approaches. Throughout the process, we strive to present a unified conceptual framework for multi-omics integration and interpretation, as well as point out potential future directions.
Digi-Clima Grid: image processing and distributed computing for recovering historical climate data
Directory of Open Access Journals (Sweden)
Sergio Nesmachnow
2015-12-01
Full Text Available This article describes the Digi-Clima Grid project, whose main goals are to design and implement semi-automatic techniques for digitalizing and recovering historical climate records applying parallel computing techniques over distributed computing infrastructures. The specific tool developed for image processing is described, and the implementation over grid and cloud infrastructures is reported. A experimental analysis over institutional and volunteer-based grid/cloud distributed systems demonstrate that the proposed approach is an efficient tool for recovering historical climate data. The parallel implementations allow to distribute the processing load, achieving accurate speedup values.
Identifying Pathogenicity Islands in Bacterial Pathogenomics Using Computational Approaches
Directory of Open Access Journals (Sweden)
Dongsheng Che
2014-01-01
Full Text Available High-throughput sequencing technologies have made it possible to study bacteria through analyzing their genome sequences. For instance, comparative genome sequence analyses can reveal the phenomenon such as gene loss, gene gain, or gene exchange in a genome. By analyzing pathogenic bacterial genomes, we can discover that pathogenic genomic regions in many pathogenic bacteria are horizontally transferred from other bacteria, and these regions are also known as pathogenicity islands (PAIs. PAIs have some detectable properties, such as having different genomic signatures than the rest of the host genomes, and containing mobility genes so that they can be integrated into the host genome. In this review, we will discuss various pathogenicity island-associated features and current computational approaches for the identification of PAIs. Existing pathogenicity island databases and related computational resources will also be discussed, so that researchers may find it to be useful for the studies of bacterial evolution and pathogenicity mechanisms.
Computer simulation of HTGR fuel microspheres using a Monte-Carlo statistical approach
International Nuclear Information System (INIS)
Hedrick, C.E.
1976-01-01
The concept and computational aspects of a Monte-Carlo statistical approach in relating structure of HTGR fuel microspheres to the uranium content of fuel samples have been verified. Results of the preliminary validation tests and the benefits to be derived from the program are summarized
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
Souza, A. M.
2013-10-07
We present a computational scheme for extracting the energy-level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on Li(100), allows us to evaluate charge-transfer energies, as well as the spatial distribution of the image charge induced on the metal surface. We systematically study the energies for charge transfer from the molecule to the substrate as function of the molecule-substrate distance, and investigate the effects arising from image-charge confinement and local charge neutrality violation. For benzene on Li(100) we find that the image-charge plane is located at about 1.8 Å above the Li surface, and that our calculated charge-transfer energies compare perfectly with those obtained with a classical electrostatic model having the image plane located at the same position. The methodology outlined here can be applied to study any metal/organic interface in the weak coupling limit at the computational cost of a total energy calculation. Most importantly, as the scheme is based on total energies and not on correcting the Kohn-Sham quasiparticle spectrum, accurate results can be obtained with local/semilocal exchange and correlation functionals. This enables a systematic approach to convergence.
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
Souza, A. M.; Rungger, I.; Pemmaraju, C. D.; Schwingenschlö gl, Udo; Sanvito, S.
2013-01-01
We present a computational scheme for extracting the energy-level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on Li(100), allows us to evaluate charge-transfer energies, as well as the spatial distribution of the image charge induced on the metal surface. We systematically study the energies for charge transfer from the molecule to the substrate as function of the molecule-substrate distance, and investigate the effects arising from image-charge confinement and local charge neutrality violation. For benzene on Li(100) we find that the image-charge plane is located at about 1.8 Å above the Li surface, and that our calculated charge-transfer energies compare perfectly with those obtained with a classical electrostatic model having the image plane located at the same position. The methodology outlined here can be applied to study any metal/organic interface in the weak coupling limit at the computational cost of a total energy calculation. Most importantly, as the scheme is based on total energies and not on correcting the Kohn-Sham quasiparticle spectrum, accurate results can be obtained with local/semilocal exchange and correlation functionals. This enables a systematic approach to convergence.
Mode decomposition methods for flows in high-contrast porous media. Global-local approach
Ghommem, Mehdi; Presho, Michael; Calo, Victor M.; Efendiev, Yalchin R.
2013-01-01
In this paper, we combine concepts of the generalized multiscale finite element method (GMsFEM) and mode decomposition methods to construct a robust global-local approach for model reduction of flows in high-contrast porous media. This is achieved by implementing Proper Orthogonal Decomposition (POD) and Dynamic Mode Decomposition (DMD) techniques on a coarse grid computed using GMsFEM. The resulting reduced-order approach enables a significant reduction in the flow problem size while accurately capturing the behavior of fully-resolved solutions. We consider a variety of high-contrast coefficients and present the corresponding numerical results to illustrate the effectiveness of the proposed technique. This paper is a continuation of our work presented in Ghommem et al. (2013) [1] where we examine the applicability of POD and DMD to derive simplified and reliable representations of flows in high-contrast porous media on fully resolved models. In the current paper, we discuss how these global model reduction approaches can be combined with local techniques to speed-up the simulations. The speed-up is due to inexpensive, while sufficiently accurate, computations of global snapshots. © 2013 Elsevier Inc.
Mode decomposition methods for flows in high-contrast porous media. Global-local approach
Ghommem, Mehdi
2013-11-01
In this paper, we combine concepts of the generalized multiscale finite element method (GMsFEM) and mode decomposition methods to construct a robust global-local approach for model reduction of flows in high-contrast porous media. This is achieved by implementing Proper Orthogonal Decomposition (POD) and Dynamic Mode Decomposition (DMD) techniques on a coarse grid computed using GMsFEM. The resulting reduced-order approach enables a significant reduction in the flow problem size while accurately capturing the behavior of fully-resolved solutions. We consider a variety of high-contrast coefficients and present the corresponding numerical results to illustrate the effectiveness of the proposed technique. This paper is a continuation of our work presented in Ghommem et al. (2013) [1] where we examine the applicability of POD and DMD to derive simplified and reliable representations of flows in high-contrast porous media on fully resolved models. In the current paper, we discuss how these global model reduction approaches can be combined with local techniques to speed-up the simulations. The speed-up is due to inexpensive, while sufficiently accurate, computations of global snapshots. © 2013 Elsevier Inc.
Accurate label-free reaction kinetics determination using initial rate heat measurements
Ebrahimi, Kourosh Honarmand; Hagedoorn, Peter-Leon; Jacobs, Denise; Hagen, Wilfred R.
2015-01-01
Accurate label-free methods or assays to obtain the initial reaction rates have significant importance in fundamental studies of enzymes and in application-oriented high throughput screening of enzyme activity. Here we introduce a label-free approach for obtaining initial rates of enzyme activity from heat measurements, which we name initial rate calorimetry (IrCal). This approach is based on our new finding that the data recorded by isothermal titration calorimetry for the early stages of a reaction, which have been widely ignored, are correlated to the initial rates. Application of the IrCal approach to various enzymes led to accurate enzyme kinetics parameters as compared to spectroscopic methods and enabled enzyme kinetic studies with natural substrate, e.g. proteases with protein substrates. Because heat is a label-free property of almost all reactions, the IrCal approach holds promise in fundamental studies of various enzymes and in use of calorimetry for high throughput screening of enzyme activity. PMID:26574737
Liang, Liang; Liu, Minliang; Martin, Caitlin; Sun, Wei
2018-01-01
Structural finite-element analysis (FEA) has been widely used to study the biomechanics of human tissues and organs, as well as tissue-medical device interactions, and treatment strategies. However, patient-specific FEA models usually require complex procedures to set up and long computing times to obtain final simulation results, preventing prompt feedback to clinicians in time-sensitive clinical applications. In this study, by using machine learning techniques, we developed a deep learning (DL) model to directly estimate the stress distributions of the aorta. The DL model was designed and trained to take the input of FEA and directly output the aortic wall stress distributions, bypassing the FEA calculation process. The trained DL model is capable of predicting the stress distributions with average errors of 0.492% and 0.891% in the Von Mises stress distribution and peak Von Mises stress, respectively. This study marks, to our knowledge, the first study that demonstrates the feasibility and great potential of using the DL technique as a fast and accurate surrogate of FEA for stress analysis. © 2018 The Author(s).
Sonntag, Simon J; Li, Wei; Becker, Michael; Kaestner, Wiebke; Büsen, Martin R; Marx, Nikolaus; Merhof, Dorit; Steinseifer, Ulrich
2014-05-01
Mitral regurgitation (MR) is one of the most frequent valvular heart diseases. To assess MR severity, color Doppler imaging (CDI) is the clinical standard. However, inadequate reliability, poor reproducibility and heavy user-dependence are known limitations. A novel approach combining computational and experimental methods is currently under development aiming to improve the quantification. A flow chamber for a circulatory flow loop was developed. Three different orifices were used to mimic variations of MR. The flow field was recorded simultaneously by a 2D Doppler ultrasound transducer and Particle Image Velocimetry (PIV). Computational Fluid Dynamics (CFD) simulations were conducted using the same geometry and boundary conditions. The resulting computed velocity field was used to simulate synthetic Doppler signals. Comparison between PIV and CFD shows a high level of agreement. The simulated CDI exhibits the same characteristics as the recorded color Doppler images. The feasibility of the proposed combination of experimental and computational methods for the investigation of MR is shown and the numerical methods are successfully validated against the experiments. Furthermore, it is discussed how the approach can be used in the long run as a platform to improve the assessment of MR quantification.
Oligomerization of G protein-coupled receptors: computational methods.
Selent, J; Kaczor, A A
2011-01-01
Recent research has unveiled the complexity of mechanisms involved in G protein-coupled receptor (GPCR) functioning in which receptor dimerization/oligomerization may play an important role. Although the first high-resolution X-ray structure for a likely functional chemokine receptor dimer has been deposited in the Protein Data Bank, the interactions and mechanisms of dimer formation are not yet fully understood. In this respect, computational methods play a key role for predicting accurate GPCR complexes. This review outlines computational approaches focusing on sequence- and structure-based methodologies as well as discusses their advantages and limitations. Sequence-based approaches that search for possible protein-protein interfaces in GPCR complexes have been applied with success in several studies, but did not yield always consistent results. Structure-based methodologies are a potent complement to sequence-based approaches. For instance, protein-protein docking is a valuable method especially when guided by experimental constraints. Some disadvantages like limited receptor flexibility and non-consideration of the membrane environment have to be taken into account. Molecular dynamics simulation can overcome these drawbacks giving a detailed description of conformational changes in a native-like membrane. Successful prediction of GPCR complexes using computational approaches combined with experimental efforts may help to understand the role of dimeric/oligomeric GPCR complexes for fine-tuning receptor signaling. Moreover, since such GPCR complexes have attracted interest as potential drug target for diverse diseases, unveiling molecular determinants of dimerization/oligomerization can provide important implications for drug discovery.
Multi-Objective Approach for Energy-Aware Workflow Scheduling in Cloud Computing Environments
Directory of Open Access Journals (Sweden)
Sonia Yassa
2013-01-01
Full Text Available We address the problem of scheduling workflow applications on heterogeneous computing systems like cloud computing infrastructures. In general, the cloud workflow scheduling is a complex optimization problem which requires considering different criteria so as to meet a large number of QoS (Quality of Service requirements. Traditional research in workflow scheduling mainly focuses on the optimization constrained by time or cost without paying attention to energy consumption. The main contribution of this study is to propose a new approach for multi-objective workflow scheduling in clouds, and present the hybrid PSO algorithm to optimize the scheduling performance. Our method is based on the Dynamic Voltage and Frequency Scaling (DVFS technique to minimize energy consumption. This technique allows processors to operate in different voltage supply levels by sacrificing clock frequencies. This multiple voltage involves a compromise between the quality of schedules and energy. Simulation results on synthetic and real-world scientific applications highlight the robust performance of the proposed approach.
Multi-Objective Approach for Energy-Aware Workflow Scheduling in Cloud Computing Environments
Kadima, Hubert; Granado, Bertrand
2013-01-01
We address the problem of scheduling workflow applications on heterogeneous computing systems like cloud computing infrastructures. In general, the cloud workflow scheduling is a complex optimization problem which requires considering different criteria so as to meet a large number of QoS (Quality of Service) requirements. Traditional research in workflow scheduling mainly focuses on the optimization constrained by time or cost without paying attention to energy consumption. The main contribution of this study is to propose a new approach for multi-objective workflow scheduling in clouds, and present the hybrid PSO algorithm to optimize the scheduling performance. Our method is based on the Dynamic Voltage and Frequency Scaling (DVFS) technique to minimize energy consumption. This technique allows processors to operate in different voltage supply levels by sacrificing clock frequencies. This multiple voltage involves a compromise between the quality of schedules and energy. Simulation results on synthetic and real-world scientific applications highlight the robust performance of the proposed approach. PMID:24319361
Directory of Open Access Journals (Sweden)
Saumya Tiwari
Full Text Available Rejection is a common problem after cardiac transplants leading to significant number of adverse events and deaths, particularly in the first year of transplantation. The gold standard to identify rejection is endomyocardial biopsy. This technique is complex, cumbersome and requires a lot of expertise in the correct interpretation of stained biopsy sections. Traditional histopathology cannot be used actively or quickly during cardiac interventions or surgery. Our objective was to develop a stain-less approach using an emerging technology, Fourier transform infrared (FT-IR spectroscopic imaging to identify different components of cardiac tissue by their chemical and molecular basis aided by computer recognition, rather than by visual examination using optical microscopy. We studied this technique in assessment of cardiac transplant rejection to evaluate efficacy in an example of complex cardiovascular pathology. We recorded data from human cardiac transplant patients' biopsies, used a Bayesian classification protocol and developed a visualization scheme to observe chemical differences without the need of stains or human supervision. Using receiver operating characteristic curves, we observed probabilities of detection greater than 95% for four out of five histological classes at 10% probability of false alarm at the cellular level while correctly identifying samples with the hallmarks of the immune response in all cases. The efficacy of manual examination can be significantly increased by observing the inherent biochemical changes in tissues, which enables us to achieve greater diagnostic confidence in an automated, label-free manner. We developed a computational pathology system that gives high contrast images and seems superior to traditional staining procedures. This study is a prelude to the development of real time in situ imaging systems, which can assist interventionists and surgeons actively during procedures.
Mota, J.P.B.; Esteves, I.A.A.C.; Rostam-Abadi, M.
2004-01-01
A computational fluid dynamics (CFD) software package has been coupled with the dynamic process simulator of an adsorption storage tank for methane fuelled vehicles. The two solvers run as independent processes and handle non-overlapping portions of the computational domain. The codes exchange data on the boundary interface of the two domains to ensure continuity of the solution and of its gradient. A software interface was developed to dynamically suspend and activate each process as necessary, and be responsible for data exchange and process synchronization. This hybrid computational tool has been successfully employed to accurately simulate the discharge of a new tank design and evaluate its performance. The case study presented here shows that CFD and process simulation are highly complementary computational tools, and that there are clear benefits to be gained from a close integration of the two. ?? 2004 Elsevier Ltd. All rights reserved.
On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems
Junge, Oliver; Kevrekidis, Ioannis G.
2017-06-01
We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.
Harbusch, Karin; Itsova, Gergana; Koch, Ulrich; Kuhner, Christine
2009-01-01
We built a natural language processing (NLP) system implementing a "virtual writing conference" for elementary-school children, with German as the target language. Currently, state-of-the-art computer support for writing tasks is restricted to multiple-choice questions or quizzes because automatic parsing of the often ambiguous and fragmentary…
Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, Bil; Streett, Craig L; Glass, Christopher E.; Schuster, David M.
2015-01-01
Using the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics code, an unsteady, time-accurate flow field about a Space Launch System configuration was simulated at a transonic wind tunnel condition (Mach = 0.9). Delayed detached eddy simulation combined with Reynolds Averaged Naiver-Stokes and a Spallart-Almaras turbulence model were employed for the simulation. Second order accurate time evolution scheme was used to simulate the flow field, with a minimum of 0.2 seconds of simulated time to as much as 1.4 seconds. Data was collected at 480 pressure taps at locations, 139 of which matched a 3% wind tunnel model, tested in the Transonic Dynamic Tunnel (TDT) facility at NASA Langley Research Center. Comparisons between computation and experiment showed agreement within 5% in terms of location for peak RMS levels, and 20% for frequency and magnitude of power spectral densities. Grid resolution and time step sensitivity studies were performed to identify methods for improved accuracy comparisons to wind tunnel data. With limited computational resources, accurate trends for reduced vibratory loads on the vehicle were observed. Exploratory methods such as determining minimized computed errors based on CFL number and sub-iterations, as well as evaluating frequency content of the unsteady pressures and evaluation of oscillatory shock structures were used in this study to enhance computational efficiency and solution accuracy. These techniques enabled development of a set of best practices, for the evaluation of future flight vehicle designs in terms of vibratory loads.
Gautschi, Walter; Rassias, Themistocles M
2011-01-01
Approximation theory and numerical analysis are central to the creation of accurate computer simulations and mathematical models. Research in these areas can influence the computational techniques used in a variety of mathematical and computational sciences. This collection of contributed chapters, dedicated to renowned mathematician Gradimir V. Milovanovia, represent the recent work of experts in the fields of approximation theory and numerical analysis. These invited contributions describe new trends in these important areas of research including theoretic developments, new computational alg
Analytical approach to the evaluation of nuclide transmutations
International Nuclear Information System (INIS)
Vukadin, Z.; Osmokrovic, P.
1995-01-01
Analytical approach to the evaluation of nuclide concentrations in a transmutation chain is presented. Non singular Bateman coefficients and depletion functions are used to overcome numerical difficulties when applying well-known Bateman solution of a simple radioactive decay. Method enables evaluation of complete decay chains without elimination of short lived radionuclides. It is efficient and accurate. Practical application of the method is demonstrated by computing the neptunium series inventory in used Candu TM fuel. (author)
Stochastic Computer Simulation of Cermet Coatings Formation
Directory of Open Access Journals (Sweden)
Oleg P. Solonenko
2015-01-01
Full Text Available An approach to the modeling of the process of the formation of thermal coatings lamellar structure, including plasma coatings, at the spraying of cermet powders is proposed. The approach based on the theoretical fundamentals developed which could be used for rapid and sufficiently accurate prediction of thickness and diameter of cermet splats as well as temperature at interface “flattening quasi-liquid cermet particle-substrate” depending on the key physical parameters (KPPs: temperature, velocity and size of particle, substrate temperature, and concentration of finely dispersed solid inclusions uniformly distributed in liquid metal binder. The results are presented, which concern the development of the computational algorithm and the program complex for modeling the process of laying the splats in the coating with regard to the topology of its surface, which varies dynamically at the spraying, as well as the formation of lamellar structure and porosity of the coating. The results of numerical experiments are presented through the example of thermal spraying the cermet TiC-30 vol.% NiCr powder, illustrating the performance of the developed computational technology.
Time-Accurate Simulations of Synthetic Jet-Based Flow Control for An Axisymmetric Spinning Body
National Research Council Canada - National Science Library
Sahu, Jubaraj
2004-01-01
.... A time-accurate Navier-Stokes computational technique has been used to obtain numerical solutions for the unsteady jet-interaction flow field for a spinning projectile at a subsonic speed, Mach...
A Social Network Approach to Provisioning and Management of Cloud Computing Services for Enterprises
DEFF Research Database (Denmark)
Kuada, Eric; Olesen, Henning
2011-01-01
This paper proposes a social network approach to the provisioning and management of cloud computing services termed Opportunistic Cloud Computing Services (OCCS), for enterprises; and presents the research issues that need to be addressed for its implementation. We hypothesise that OCCS...... will facilitate the adoption process of cloud computing services by enterprises. OCCS deals with the concept of enterprises taking advantage of cloud computing services to meet their business needs without having to pay or paying a minimal fee for the services. The OCCS network will be modelled and implemented...... as a social network of enterprises collaborating strategically for the provisioning and consumption of cloud computing services without entering into any business agreements. We conclude that it is possible to configure current cloud service technologies and management tools for OCCS but there is a need...
Matrix-vector multiplication using digital partitioning for more accurate optical computing
Gary, C. K.
1992-01-01
Digital partitioning offers a flexible means of increasing the accuracy of an optical matrix-vector processor. This algorithm can be implemented with the same architecture required for a purely analog processor, which gives optical matrix-vector processors the ability to perform high-accuracy calculations at speeds comparable with or greater than electronic computers as well as the ability to perform analog operations at a much greater speed. Digital partitioning is compared with digital multiplication by analog convolution, residue number systems, and redundant number representation in terms of the size and the speed required for an equivalent throughput as well as in terms of the hardware requirements. Digital partitioning and digital multiplication by analog convolution are found to be the most efficient alogrithms if coding time and hardware are considered, and the architecture for digital partitioning permits the use of analog computations to provide the greatest throughput for a single processor.
Energy Technology Data Exchange (ETDEWEB)
Kurdziel, J.C.; Dondelinger, R.F.; Hemmer, M.
1987-01-01
107 polytraumatized patients, who had experienced blunt trauma have been worked up at admission with computed tomography of the thorax, abdomen and pelvis following computed tomography study of the brain: significant lesions were revealed in 98 (90%) patients. 79 (74%) patients showed trauma to the thorax, in 69 (64%) patients abdominal or pelvic trauma was evidenced. No false positive diagnosis was established. 5 traumatic findings were missed. Emergency angiography was indicated in 3 (3%) patients, following computed tomography examination. 3 other trauma patients were submitted directly to angiography without computed tomography examination during the time period this study was completed. Embolization was carried out in 5/6 patients. No thoracotomy was needed. 13 (12%) patients underwent laparotomy following computed tomography. Overall mortality during hospital stay was 14% (15/107). No patient died from visceral bleeding. Conservative management of blunt polytrauma patients can be advocated in almost 90% of visceral lesions. Computed tomography coupled with angiography and embolization represent an adequate integrated approach to the management of blunt polytrauma patients.
International Nuclear Information System (INIS)
Kurdziel, J.C.; Dondelinger, R.F.; Hemmer, M.
1987-01-01
107 polytraumatized patients, who had experienced blunt trauma have been worked up at admission with computed tomography of the thorax, abdomen and pelvis following computed tomography study of the brain: significant lesions were revealed in 98 (90%) patients. 79 (74%) patients showed trauma to the thorax, in 69 (64%) patients abdominal or pelvic trauma was evidenced. No false positive diagnosis was established. 5 traumatic findings were missed. Emergency angiography was indicated in 3 (3%) patients, following computed tomography examination. 3 other trauma patients were submitted directly to angiography without computed tomography examination during the time period this study was completed. Embolization was carried out in 5/6 patients. No thoracotomy was needed. 13 (12%) patients underwent laparotomy following computed tomography. Overall mortality during hospital stay was 14% (15/107). No patient died from visceral bleeding. Conservative management of blunt polytrauma patients can be advocated in almost 90% of visceral lesions. Computed tomography coupled with angiography and embolization represent an adequate integrated approach to the management of blunt polytrauma patients
Infinitesimal symmetries: a computational approach
International Nuclear Information System (INIS)
Kersten, P.H.M.
1985-01-01
This thesis is concerned with computational aspects in the determination of infinitesimal symmetries and Lie-Baecklund transformations of differential equations. Moreover some problems are calculated explicitly. A brief introduction to some concepts in the theory of symmetries and Lie-Baecklund transformations, relevant for this thesis, are given. The mathematical formalism is shortly reviewed. The jet bundle formulation is chosen, in which, by its algebraic nature, objects can be described very precisely. Consequently it is appropriate for implementation. A number of procedures are discussed, which enable to carry through computations with the help of a computer. These computations are very extensive in practice. The Lie algebras of infinitesimal symmetries of a number of differential equations in Mathematical Physics are established and some of their applications are discussed, i.e., Maxwell equations, nonlinear diffusion equation, nonlinear Schroedinger equation, nonlinear Dirac equations and self dual SU(2) Yang-Mills equations. Lie-Baecklund transformations of Burgers' equation, Classical Boussinesq equation and the Massive Thirring Model are determined. Furthermore, nonlocal Lie-Baecklund transformations of the last equation are derived. (orig.)
Templet Web: the use of volunteer computing approach in PaaS-style cloud
Vostokin, Sergei; Artamonov, Yuriy; Tsarev, Daniil
2018-03-01
This article presents the Templet Web cloud service. The service is designed for high-performance scientific computing automation. The use of high-performance technology is specifically required by new fields of computational science such as data mining, artificial intelligence, machine learning, and others. Cloud technologies provide a significant cost reduction for high-performance scientific applications. The main objectives to achieve this cost reduction in the Templet Web service design are: (a) the implementation of "on-demand" access; (b) source code deployment management; (c) high-performance computing programs development automation. The distinctive feature of the service is the approach mainly used in the field of volunteer computing, when a person who has access to a computer system delegates his access rights to the requesting user. We developed an access procedure, algorithms, and software for utilization of free computational resources of the academic cluster system in line with the methods of volunteer computing. The Templet Web service has been in operation for five years. It has been successfully used for conducting laboratory workshops and solving research problems, some of which are considered in this article. The article also provides an overview of research directions related to service development.
International Nuclear Information System (INIS)
Bonetto, Paola; Qi, Jinyi; Leahy, Richard M.
1999-01-01
We describe a method for computing linear observer statistics for maximum a posteriori (MAP) reconstructions of PET images. The method is based on a theoretical approximation for the mean and covariance of MAP reconstructions. In particular, we derive here a closed form for the channelized Hotelling observer (CHO) statistic applied to 2D MAP images. We show reasonably good correspondence between these theoretical results and Monte Carlo studies. The accuracy and low computational cost of the approximation allow us to analyze the observer performance over a wide range of operating conditions and parameter settings for the MAP reconstruction algorithm
A SURVEY ON DOCUMENT CLUSTERING APPROACH FOR COMPUTER FORENSIC ANALYSIS
Monika Raghuvanshi*, Rahul Patel
2016-01-01
In a forensic analysis, large numbers of files are examined. Much of the information comprises of in unstructured format, so it’s quite difficult task for computer forensic to perform such analysis. That’s why to do the forensic analysis of document within a limited period of time require a special approach such as document clustering. This paper review different document clustering algorithms methodologies for example K-mean, K-medoid, single link, complete link, average link in accorandance...
International Nuclear Information System (INIS)
Merzari, E.; Ninokata, H.; Baglietto, E.
2008-01-01
Traditional steady-state simulation and turbulence modelling are not always reliable. Even in simple flows, the results can be not accurate when particular conditions occur. Examples are buoyancy, flow oscillations, and turbulent mixing. Often, unsteady simulations are necessary, but they tend to be computationally not affordable. The Unsteady Reynolds Averaged Navier-Stokes (URANS) approach holds promise to be less computational expensive than Large Eddy Simulation (LES) or Direct Numerical Simulation (DNS), reaching a considerable degree of accuracy. Moreover, URANS methodologies do not need complex boundary formulations for the inlet and the outlet like LES or DNS. The Test cases for this methodology will be Fuel Bundles and T-junctions. Tight-Fuel Rod-Bundles present large scale coherent structures than cannot be taken into account by a simple steady-state simulation. T-junctions where a hot fluid and a cold fluid mix present temperature fluctuations and therefore thermal fatigue. For both cases the capacity of the methodology to reproduce the flow field are assessed and it is evaluated that URANS holds promise to be the industrial standard in nuclear engineering applications that do not involve buoyancy. The codes employed are STAR-CD 3.26 and 4.06. (author)
Institute of Scientific and Technical Information of China (English)
高文; 陈熙霖
1997-01-01
The blur in target images caused by camera vibration due to robot motion or hand shaking and by object(s) moving in the background scene is different to deal with in the computer vision system.In this paper,the authors study the relation model between motion and blur in the case of object motion existing in video image sequence,and work on a practical computation algorithm for both motion analysis and blut image restoration.Combining the general optical flow and stochastic process,the paper presents and approach by which the motion velocity can be calculated from blurred images.On the other hand,the blurred image can also be restored using the obtained motion information.For solving a problem with small motion limitation on the general optical flow computation,a multiresolution optical flow algoritm based on MAP estimation is proposed. For restoring the blurred image ,an iteration algorithm and the obtained motion velocity are used.The experiment shows that the proposed approach for both motion velocity computation and blurred image restoration works well.
Bakker, Mark; Kuhlman, Kristopher L.
2011-09-01
Two new approaches are presented for the accurate computation of the potential due to line elements that satisfy the modified Helmholtz equation with complex parameters. The first approach is based on fundamental solutions in elliptical coordinates and results in products of Mathieu functions. The second approach is based on the integration of modified Bessel functions. Both approaches allow evaluation of the potential at any distance from the element. The computational approaches are applied to model transient flow with the Laplace transform analytic element method. The Laplace domain solution is computed using a combination of point elements and the presented line elements. The time domain solution is obtained through a numerical inversion. Two applications are presented to transient flow fields, which could not be modeled with the Laplace transform analytic element method prior to this work. The first application concerns transient single-aquifer flow to wells near impermeable walls modeled with line-doublets. The second application concerns transient two-aquifer flow to a well near a stream modeled with line-sinks.
Nicholson, Anita; Tobin, Mary
2006-01-01
This presentation will discuss coupling commercial and customized computer-supported teaching aids to provide BSN nursing students with a friendly customer-centered self-study approach to psychomotor skill acquisition.
Computer science approach to quantum control
International Nuclear Information System (INIS)
Janzing, D.
2006-01-01
Whereas it is obvious that every computation process is a physical process it has hardly been recognized that many complex physical processes bear similarities to computation processes. This is in particular true for the control of physical systems on the nanoscopic level: usually the system can only be accessed via a rather limited set of elementary control operations and for many purposes only a concatenation of a large number of these basic operations will implement the desired process. This concatenation is in many cases quite similar to building complex programs from elementary steps and principles for designing algorithm may thus be a paradigm for designing control processes. For instance, one can decrease the temperature of one part of a molecule by transferring its heat to the remaining part where it is then dissipated to the environment. But the implementation of such a process involves a complex sequence of electromagnetic pulses. This work considers several hypothetical control processes on the nanoscopic level and show their analogy to computation processes. We show that measuring certain types of quantum observables is such a complex task that every instrument that is able to perform it would necessarily be an extremely powerful computer. Likewise, the implementation of a heat engine on the nanoscale requires to process the heat in a way that is similar to information processing and it can be shown that heat engines with maximal efficiency would be powerful computers, too. In the same way as problems in computer science can be classified by complexity classes we can also classify control problems according to their complexity. Moreover, we directly relate these complexity classes for control problems to the classes in computer science. Unifying notions of complexity in computer science and physics has therefore two aspects: on the one hand, computer science methods help to analyze the complexity of physical processes. On the other hand, reasonable
Low rank approach to computing first and higher order derivatives using automatic differentiation
International Nuclear Information System (INIS)
Reed, J. A.; Abdel-Khalik, H. S.; Utke, J.
2012-01-01
This manuscript outlines a new approach for increasing the efficiency of applying automatic differentiation (AD) to large scale computational models. By using the principles of the Efficient Subspace Method (ESM), low rank approximations of the derivatives for first and higher orders can be calculated using minimized computational resources. The output obtained from nuclear reactor calculations typically has a much smaller numerical rank compared to the number of inputs and outputs. This rank deficiency can be exploited to reduce the number of derivatives that need to be calculated using AD. The effective rank can be determined according to ESM by computing derivatives with AD at random inputs. Reduced or pseudo variables are then defined and new derivatives are calculated with respect to the pseudo variables. Two different AD packages are used: OpenAD and Rapsodia. OpenAD is used to determine the effective rank and the subspace that contains the derivatives. Rapsodia is then used to calculate derivatives with respect to the pseudo variables for the desired order. The overall approach is applied to two simple problems and to MATWS, a safety code for sodium cooled reactors. (authors)
Multidisciplinary Computational Research
National Research Council Canada - National Science Library
Visbal, Miguel R
2006-01-01
The purpose of this work is to develop advanced multidisciplinary numerical simulation capabilities for aerospace vehicles with emphasis on highly accurate, massively parallel computational methods...
Reconfigurable computing the theory and practice of FPGA-based computation
Hauck, Scott
2010-01-01
Reconfigurable Computing marks a revolutionary and hot topic that bridges the gap between the separate worlds of hardware and software design- the key feature of reconfigurable computing is its groundbreaking ability to perform computations in hardware to increase performance while retaining the flexibility of a software solution. Reconfigurable computers serve as affordable, fast, and accurate tools for developing designs ranging from single chip architectures to multi-chip and embedded systems. Scott Hauck and Andre DeHon have assembled a group of the key experts in the fields of both hardwa
Computational mesh generation for vascular structures with deformable surfaces
International Nuclear Information System (INIS)
Putter, S. de; Laffargue, F.; Breeuwer, M.; Vosse, F.N. van de; Gerritsen, F.A.; Philips Medical Systems, Best
2006-01-01
Computational blood flow and vessel wall mechanics simulations for vascular structures are becoming an important research tool for patient-specific surgical planning and intervention. An important step in the modelling process for patient-specific simulations is the creation of the computational mesh based on the segmented geometry. Most known solutions either require a large amount of manual processing or lead to a substantial difference between the segmented object and the actual computational domain. We have developed a chain of algorithms that lead to a closely related implementation of image segmentation with deformable models and 3D mesh generation. The resulting processing chain is very robust and leads both to an accurate geometrical representation of the vascular structure as well as high quality computational meshes. The chain of algorithms has been tested on a wide variety of shapes. A benchmark comparison of our mesh generation application with five other available meshing applications clearly indicates that the new approach outperforms the existing methods in the majority of cases. (orig.)
Accurate prediction of the ammonia probes of a variable proton-to-electron mass ratio
Owens, A.; Yurchenko, S. N.; Thiel, W.; Špirko, V.
2015-07-01
A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of 14NH3, 15NH3, 14ND3 and 15ND3 is carried out variationally using the TROVE approach. Variational calculations are robust and accurate, offering a new way to compute sensitivity coefficients. Particular attention is paid to the Δk = ±3 transitions between the accidentally coinciding rotation-inversion energy levels of the ν2 = 0+, 0-, 1+ and 1- states, and the inversion transitions in the ν4 = 1 state affected by the `giant' l-type doubling effect. These transitions exhibit highly anomalous sensitivities, thus appearing as promising probes of a possible cosmological variation of the proton-to-electron mass ratio μ. Moreover, a simultaneous comparison of the calculated sensitivities reveals a sizeable isotopic dependence which could aid an exclusive ammonia detection.
Elucidating Ligand-Modulated Conformational Landscape of GPCRs Using Cloud-Computing Approaches.
Shukla, Diwakar; Lawrenz, Morgan; Pande, Vijay S
2015-01-01
G-protein-coupled receptors (GPCRs) are a versatile family of membrane-bound signaling proteins. Despite the recent successes in obtaining crystal structures of GPCRs, much needs to be learned about the conformational changes associated with their activation. Furthermore, the mechanism by which ligands modulate the activation of GPCRs has remained elusive. Molecular simulations provide a way of obtaining detailed an atomistic description of GPCR activation dynamics. However, simulating GPCR activation is challenging due to the long timescales involved and the associated challenge of gaining insights from the "Big" simulation datasets. Here, we demonstrate how cloud-computing approaches have been used to tackle these challenges and obtain insights into the activation mechanism of GPCRs. In particular, we review the use of Markov state model (MSM)-based sampling algorithms for sampling milliseconds of dynamics of a major drug target, the G-protein-coupled receptor β2-AR. MSMs of agonist and inverse agonist-bound β2-AR reveal multiple activation pathways and how ligands function via modulation of the ensemble of activation pathways. We target this ensemble of conformations with computer-aided drug design approaches, with the goal of designing drugs that interact more closely with diverse receptor states, for overall increased efficacy and specificity. We conclude by discussing how cloud-based approaches present a powerful and broadly available tool for studying the complex biological systems routinely. © 2015 Elsevier Inc. All rights reserved.
Solving computationally expensive engineering problems
Leifsson, Leifur; Yang, Xin-She
2014-01-01
Computational complexity is a serious bottleneck for the design process in virtually any engineering area. While migration from prototyping and experimental-based design validation to verification using computer simulation models is inevitable and has a number of advantages, high computational costs of accurate, high-fidelity simulations can be a major issue that slows down the development of computer-aided design methodologies, particularly those exploiting automated design improvement procedures, e.g., numerical optimization. The continuous increase of available computational resources does not always translate into shortening of the design cycle because of the growing demand for higher accuracy and necessity to simulate larger and more complex systems. Accurate simulation of a single design of a given system may be as long as several hours, days or even weeks, which often makes design automation using conventional methods impractical or even prohibitive. Additional problems include numerical noise often pr...
Fast Eigensolver for Computing 3D Earth's Normal Modes
Shi, J.; De Hoop, M. V.; Li, R.; Xi, Y.; Saad, Y.
2017-12-01
We present a novel parallel computational approach to compute Earth's normal modes. We discretize Earth via an unstructured tetrahedral mesh and apply the continuous Galerkin finite element method to the elasto-gravitational system. To resolve the eigenvalue pollution issue, following the analysis separating the seismic point spectrum, we utilize explicitly a representation of the displacement for describing the oscillations of the non-seismic modes in the fluid outer core. Effectively, we separate out the essential spectrum which is naturally related to the Brunt-Väisälä frequency. We introduce two Lanczos approaches with polynomial and rational filtering for solving this generalized eigenvalue problem in prescribed intervals. The polynomial filtering technique only accesses the matrix pair through matrix-vector products and is an ideal candidate for solving three-dimensional large-scale eigenvalue problems. The matrix-free scheme allows us to deal with fluid separation and self-gravitation in an efficient way, while the standard shift-and-invert method typically needs an explicit shifted matrix and its factorization. The rational filtering method converges much faster than the standard shift-and-invert procedure when computing all the eigenvalues inside an interval. Both two Lanczos approaches solve for the internal eigenvalues extremely accurately, comparing with the standard eigensolver. In our computational experiments, we compare our results with the radial earth model benchmark, and visualize the normal modes using vector plots to illustrate the properties of the displacements in different modes.
Energy Technology Data Exchange (ETDEWEB)
Knio, Omar [Duke Univ., Durham, NC (United States). Dept. of Mechanical Engineering and Materials Science
2017-05-05
The current project develops a novel approach that uses a probabilistic description to capture the current state of knowledge about the computational solution. To effectively spread the computational effort over multiple nodes, the global computational domain is split into many subdomains. Computational uncertainty in the solution translates into uncertain boundary conditions for the equation system to be solved on those subdomains, and many independent, concurrent subdomain simulations are used to account for this bound- ary condition uncertainty. By relying on the fact that solutions on neighboring subdomains must agree with each other, a more accurate estimate for the global solution can be achieved. Statistical approaches in this update process make it possible to account for the effect of system faults in the probabilistic description of the computational solution, and the associated uncertainty is reduced through successive iterations. By combining all of these elements, the probabilistic reformulation allows splitting the computational work over very many independent tasks for good scalability, while being robust to system faults.
An efficient method for computing the absorption of solar radiation by water vapor
Chou, M.-D.; Arking, A.
1981-01-01
Chou and Arking (1980) have developed a fast but accurate method for computing the IR cooling rate due to water vapor. Using a similar approach, the considered investigation develops a method for computing the heating rates due to the absorption of solar radiation by water vapor in the wavelength range from 4 to 8.3 micrometers. The validity of the method is verified by comparison with line-by-line calculations. An outline is provided of an efficient method for transmittance and flux computations based upon actual line parameters. High speed is achieved by employing a one-parameter scaling approximation to convert an inhomogeneous path into an equivalent homogeneous path at suitably chosen reference conditions.
Energy Technology Data Exchange (ETDEWEB)
Unal, Cetin [Los Alamos National Laboratory; Pasamehmetoglu, Kemal [IDAHO NATIONAL LAB; Carmack, Jon [IDAHO NATIONAL LAB
2010-01-01
Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Rcactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems is critical. In order to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating the phase and microstructural behavior of the nuclear fuel system materials and matrices. The purpose of this paper is to identify the modeling and simulation approach in order to deliver predictive tools for advanced fuels development. The coordination between experimental nuclear fuel design, development technical experts, and computational fuel modeling and simulation technical experts is a critical aspect of the approach and naturally leads to an integrated, goal-oriented science-based R & D approach and strengthens both the experimental and computational efforts. The Advanced Fuels Campaign (AFC) and Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Integrated Performance and Safety Code (IPSC) are working together to determine experimental data and modeling needs. The primary objective of the NEAMS fuels IPSC project is to deliver a coupled, three-dimensional, predictive computational platform for modeling the fabrication and both normal and abnormal operation of nuclear fuel pins and assemblies, applicable to both existing and future reactor fuel designs. The science based program is pursuing the development of an integrated multi-scale and multi-physics modeling and simulation platform for nuclear fuels. This overview paper discusses the vision, goals and approaches how to develop and implement the new approach.
International Nuclear Information System (INIS)
Unal, Cetin; Pasamehmetoglu, Kemal; Carmack, Jon
2010-01-01
Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Rcactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems is critical. In order to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating the phase and microstructural behavior of the nuclear fuel system materials and matrices. The purpose of this paper is to identify the modeling and simulation approach in order to deliver predictive tools for advanced fuels development. The coordination between experimental nuclear fuel design, development technical experts, and computational fuel modeling and simulation technical experts is a critical aspect of the approach and naturally leads to an integrated, goal-oriented science-based R and D approach and strengthens both the experimental and computational efforts. The Advanced Fuels Campaign (AFC) and Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Integrated Performance and Safety Code (IPSC) are working together to determine experimental data and modeling needs. The primary objective of the NEAMS fuels IPSC project is to deliver a coupled, three-dimensional, predictive computational platform for modeling the fabrication and both normal and abnormal operation of nuclear fuel pins and assemblies, applicable to both existing and future reactor fuel designs. The science based program is pursuing the development of an integrated multi-scale and multi-physics modeling and simulation platform for nuclear fuels. This overview paper discusses the vision, goals and approaches how to develop and implement the new approach.
Accurate Vehicle Location System Using RFID, an Internet of Things Approach
Prinsloo, Jaco; Malekian, Reza
2016-01-01
Modern infrastructure, such as dense urban areas and underground tunnels, can effectively block all GPS signals, which implies that effective position triangulation will not be achieved. The main problem that is addressed in this project is the design and implementation of an accurate vehicle location system using radio-frequency identification (RFID) technology in combination with GPS and the Global system for Mobile communication (GSM) technology, in order to provide a solution to the limitation discussed above. In essence, autonomous vehicle tracking will be facilitated with the use of RFID technology where GPS signals are non-existent. The design of the system and the results are reflected in this paper. An extensive literature study was done on the field known as the Internet of Things, as well as various topics that covered the integration of independent technology in order to address a specific challenge. The proposed system is then designed and implemented. An RFID transponder was successfully designed and a read range of approximately 31 cm was obtained in the low frequency communication range (125 kHz to 134 kHz). The proposed system was designed, implemented, and field tested and it was found that a vehicle could be accurately located and tracked. It is also found that the antenna size of both the RFID reader unit and RFID transponder plays a critical role in the maximum communication range that can be achieved. PMID:27271638
Accurate Vehicle Location System Using RFID, an Internet of Things Approach.
Prinsloo, Jaco; Malekian, Reza
2016-06-04
Modern infrastructure, such as dense urban areas and underground tunnels, can effectively block all GPS signals, which implies that effective position triangulation will not be achieved. The main problem that is addressed in this project is the design and implementation of an accurate vehicle location system using radio-frequency identification (RFID) technology in combination with GPS and the Global system for Mobile communication (GSM) technology, in order to provide a solution to the limitation discussed above. In essence, autonomous vehicle tracking will be facilitated with the use of RFID technology where GPS signals are non-existent. The design of the system and the results are reflected in this paper. An extensive literature study was done on the field known as the Internet of Things, as well as various topics that covered the integration of independent technology in order to address a specific challenge. The proposed system is then designed and implemented. An RFID transponder was successfully designed and a read range of approximately 31 cm was obtained in the low frequency communication range (125 kHz to 134 kHz). The proposed system was designed, implemented, and field tested and it was found that a vehicle could be accurately located and tracked. It is also found that the antenna size of both the RFID reader unit and RFID transponder plays a critical role in the maximum communication range that can be achieved.
Accurate Vehicle Location System Using RFID, an Internet of Things Approach
Directory of Open Access Journals (Sweden)
Jaco Prinsloo
2016-06-01
Full Text Available Modern infrastructure, such as dense urban areas and underground tunnels, can effectively block all GPS signals, which implies that effective position triangulation will not be achieved. The main problem that is addressed in this project is the design and implementation of an accurate vehicle location system using radio-frequency identification (RFID technology in combination with GPS and the Global system for Mobile communication (GSM technology, in order to provide a solution to the limitation discussed above. In essence, autonomous vehicle tracking will be facilitated with the use of RFID technology where GPS signals are non-existent. The design of the system and the results are reflected in this paper. An extensive literature study was done on the field known as the Internet of Things, as well as various topics that covered the integration of independent technology in order to address a specific challenge. The proposed system is then designed and implemented. An RFID transponder was successfully designed and a read range of approximately 31 cm was obtained in the low frequency communication range (125 kHz to 134 kHz. The proposed system was designed, implemented, and field tested and it was found that a vehicle could be accurately located and tracked. It is also found that the antenna size of both the RFID reader unit and RFID transponder plays a critical role in the maximum communication range that can be achieved.
Wang, Lusheng; Yang, Yong; Lin, Guohui
Finding the closest object for a query in a database is a classical problem in computer science. For some modern biological applications, computing the similarity between two objects might be very time consuming. For example, it takes a long time to compute the edit distance between two whole chromosomes and the alignment cost of two 3D protein structures. In this paper, we study the nearest neighbor search problem in metric space, where the pair-wise distance between two objects in the database is known and we want to minimize the number of distances computed on-line between the query and objects in the database in order to find the closest object. We have designed two randomized approaches for indexing metric space databases, where objects are purely described by their distances with each other. Analysis and experiments show that our approaches only need to compute O(logn) objects in order to find the closest object, where n is the total number of objects in the database.
Blueprinting Approach in Support of Cloud Computing
Directory of Open Access Journals (Sweden)
Willem-Jan van den Heuvel
2012-03-01
Full Text Available Current cloud service offerings, i.e., Software-as-a-service (SaaS, Platform-as-a-service (PaaS and Infrastructure-as-a-service (IaaS offerings are often provided as monolithic, one-size-fits-all solutions and give little or no room for customization. This limits the ability of Service-based Application (SBA developers to configure and syndicate offerings from multiple SaaS, PaaS, and IaaS providers to address their application requirements. Furthermore, combining different independent cloud services necessitates a uniform description format that facilitates the design, customization, and composition. Cloud Blueprinting is a novel approach that allows SBA developers to easily design, configure and deploy virtual SBA payloads on virtual machines and resource pools on the cloud. We propose the Blueprint concept as a uniform abstract description for cloud service offerings that may cross different cloud computing layers, i.e., SaaS, PaaS and IaaS. To support developers with the SBA design and development in the cloud, this paper introduces a formal Blueprint Template for unambiguously describing a blueprint, as well as a Blueprint Lifecycle that guides developers through the manipulation, composition and deployment of different blueprints for an SBA. Finally, the empirical evaluation of the blueprinting approach within an EC’s FP7 project is reported and an associated blueprint prototype implementation is presented.
Kroonblawd, Matthew P; Pietrucci, Fabio; Saitta, Antonino Marco; Goldman, Nir
2018-04-10
We demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol -1 .
Computational Diagnostic: A Novel Approach to View Medical Data.
Energy Technology Data Exchange (ETDEWEB)
Mane, K. K. (Ketan Kirtiraj); Börner, K. (Katy)
2007-01-01
A transition from traditional paper-based medical records to electronic health record is largely underway. The use of electronic records offers tremendous potential to personalize patient diagnosis and treatment. In this paper, we discuss a computational diagnostic tool that uses digital medical records to help doctors gain better insight about a patient's medical condition. The paper details different interactive features of the tool which offer potential to practice evidence-based medicine and advance patient diagnosis practices. The healthcare industry is a constantly evolving domain. Research from this domain is often translated into better understanding of different medical conditions. This new knowledge often contributes towards improved diagnosis and treatment solutions for patients. But the healthcare industry lags behind to seek immediate benefits of the new knowledge as it still adheres to the traditional paper-based approach to keep track of medical records. However recently we notice a drive that promotes a transition towards electronic health record (EHR). An EHR stores patient medical records in digital format and offers potential to replace the paper health records. Earlier attempts of an EHR replicated the paper layout on the screen, representation of medical history of a patient in a graphical time-series format, interactive visualization with 2D/3D generated images from an imaging device. But an EHR can be much more than just an 'electronic view' of the paper record or a collection of images from an imaging device. In this paper, we present an EHR called 'Computational Diagnostic Tool', that provides a novel computational approach to look at patient medical data. The developed EHR system is knowledge driven and acts as clinical decision support tool. The EHR tool provides two visual views of the medical data. Dynamic interaction with data is supported to help doctors practice evidence-based decisions and make judicious
Computational methods for protein identification from mass spectrometry data.
Directory of Open Access Journals (Sweden)
Leo McHugh
2008-02-01
Full Text Available Protein identification using mass spectrometry is an indispensable computational tool in the life sciences. A dramatic increase in the use of proteomic strategies to understand the biology of living systems generates an ongoing need for more effective, efficient, and accurate computational methods for protein identification. A wide range of computational methods, each with various implementations, are available to complement different proteomic approaches. A solid knowledge of the range of algorithms available and, more critically, the accuracy and effectiveness of these techniques is essential to ensure as many of the proteins as possible, within any particular experiment, are correctly identified. Here, we undertake a systematic review of the currently available methods and algorithms for interpreting, managing, and analyzing biological data associated with protein identification. We summarize the advances in computational solutions as they have responded to corresponding advances in mass spectrometry hardware. The evolution of scoring algorithms and metrics for automated protein identification are also discussed with a focus on the relative performance of different techniques. We also consider the relative advantages and limitations of different techniques in particular biological contexts. Finally, we present our perspective on future developments in the area of computational protein identification by considering the most recent literature on new and promising approaches to the problem as well as identifying areas yet to be explored and the potential application of methods from other areas of computational biology.
Efficient Parallel Kernel Solvers for Computational Fluid Dynamics Applications
Sun, Xian-He
1997-01-01
Distributed-memory parallel computers dominate today's parallel computing arena. These machines, such as Intel Paragon, IBM SP2, and Cray Origin2OO, have successfully delivered high performance computing power for solving some of the so-called "grand-challenge" problems. Despite initial success, parallel machines have not been widely accepted in production engineering environments due to the complexity of parallel programming. On a parallel computing system, a task has to be partitioned and distributed appropriately among processors to reduce communication cost and to attain load balance. More importantly, even with careful partitioning and mapping, the performance of an algorithm may still be unsatisfactory, since conventional sequential algorithms may be serial in nature and may not be implemented efficiently on parallel machines. In many cases, new algorithms have to be introduced to increase parallel performance. In order to achieve optimal performance, in addition to partitioning and mapping, a careful performance study should be conducted for a given application to find a good algorithm-machine combination. This process, however, is usually painful and elusive. The goal of this project is to design and develop efficient parallel algorithms for highly accurate Computational Fluid Dynamics (CFD) simulations and other engineering applications. The work plan is 1) developing highly accurate parallel numerical algorithms, 2) conduct preliminary testing to verify the effectiveness and potential of these algorithms, 3) incorporate newly developed algorithms into actual simulation packages. The work plan has well achieved. Two highly accurate, efficient Poisson solvers have been developed and tested based on two different approaches: (1) Adopting a mathematical geometry which has a better capacity to describe the fluid, (2) Using compact scheme to gain high order accuracy in numerical discretization. The previously developed Parallel Diagonal Dominant (PDD) algorithm
Computer-aided detection of renal calculi from noncontrast CT images using TV-flow and MSER features
Liu, Jianfei; Wang, Shijun; Turkbey, Evrim B.; Linguraru, Marius George; Yao, Jianhua; Summers, Ronald M.
2015-01-01
Purpose: Renal calculi are common extracolonic incidental findings on computed tomographic colonography (CTC). This work aims to develop a fully automated computer-aided diagnosis system to accurately detect renal calculi on CTC images. Methods: The authors developed a total variation (TV) flow method to reduce image noise within the kidneys while maintaining the characteristic appearance of renal calculi. Maximally stable extremal region (MSER) features were then calculated to robustly identify calculi candidates. Finally, the authors computed texture and shape features that were imported to support vector machines for calculus classification. The method was validated on a dataset of 192 patients and compared to a baseline approach that detects calculi by thresholding. The authors also compared their method with the detection approaches using anisotropic diffusion and nonsmoothing. Results: At a false positive rate of 8 per patient, the sensitivities of the new method and the baseline thresholding approach were 69% and 35% (p < 1e − 3) on all calculi from 1 to 433 mm3 in the testing dataset. The sensitivities of the detection methods using anisotropic diffusion and nonsmoothing were 36% and 0%, respectively. The sensitivity of the new method increased to 90% if only larger and more clinically relevant calculi were considered. Conclusions: Experimental results demonstrated that TV-flow and MSER features are efficient means to robustly and accurately detect renal calculi on low-dose, high noise CTC images. Thus, the proposed method can potentially improve diagnosis. PMID:25563255
International Nuclear Information System (INIS)
Wise, Marshall; Hodson, Elke L.; Mignone, Bryan K.; Clarke, Leon; Waldhoff, Stephanie; Luckow, Patrick
2015-01-01
Accurately characterizing the emissions implications of bioenergy is increasingly important to the design of regional and global greenhouse gas mitigation policies. Market-based policies, in particular, often use information about carbon intensity to adjust relative deployment incentives for different energy sources. However, the carbon intensity of bioenergy is difficult to quantify because carbon emissions can occur when land use changes to expand production of bioenergy crops rather than simply when the fuel is consumed as for fossil fuels. Using a long-term, integrated assessment model, this paper develops an approach for computing the carbon intensity of bioenergy production that isolates the marginal impact of increasing production of a specific bioenergy crop in a specific region, taking into account economic competition among land uses. We explore several factors that affect emissions intensity and explain these results in the context of previous studies that use different approaches. Among the factors explored, our results suggest that the carbon intensity of bioenergy production from land use change (LUC) differs by a factor of two depending on the region in which the bioenergy crop is grown in the United States. Assumptions about international land use policies (such as those related to forest protection) and crop yields also significantly impact carbon intensity. Finally, we develop and demonstrate a generalized method for considering the varying time profile of LUC emissions from bioenergy production, taking into account the time path of future carbon prices, the discount rate and the time horizon. When evaluated in the context of power sector applications, we found electricity from bioenergy crops to be less carbon-intensive than conventional coal-fired electricity generation and often less carbon-intensive than natural-gas fired generation. - Highlights: • Modeling methodology for assessing land use change emissions from bioenergy • Use GCAM
Music Genre Classification Systems - A Computational Approach
DEFF Research Database (Denmark)
Ahrendt, Peter
2006-01-01
Automatic music genre classification is the classification of a piece of music into its corresponding genre (such as jazz or rock) by a computer. It is considered to be a cornerstone of the research area Music Information Retrieval (MIR) and closely linked to the other areas in MIR. It is thought...... that MIR will be a key element in the processing, searching and retrieval of digital music in the near future. This dissertation is concerned with music genre classification systems and in particular systems which use the raw audio signal as input to estimate the corresponding genre. This is in contrast...... to systems which use e.g. a symbolic representation or textual information about the music. The approach to music genre classification systems has here been system-oriented. In other words, all the different aspects of the systems have been considered and it is emphasized that the systems should...
Rey, M.; Nikitin, A. V.; Tyuterev, V.
2014-06-01
Knowledge of near infrared intensities of rovibrational transitions of polyatomic molecules is essential for the modeling of various planetary atmospheres, brown dwarfs and for other astrophysical applications 1,2,3. For example, to analyze exoplanets, atmospheric models have been developed, thus making the need to provide accurate spectroscopic data. Consequently, the spectral characterization of such planetary objects relies on the necessity of having adequate and reliable molecular data in extreme conditions (temperature, optical path length, pressure). On the other hand, in the modeling of astrophysical opacities, millions of lines are generally involved and the line-by-line extraction is clearly not feasible in laboratory measurements. It is thus suggested that this large amount of data could be interpreted only by reliable theoretical predictions. There exists essentially two theoretical approaches for the computation and prediction of spectra. The first one is based on empirically-fitted effective spectroscopic models. Another way for computing energies, line positions and intensities is based on global variational calculations using ab initio surfaces. They do not yet reach the spectroscopic accuracy stricto sensu but implicitly account for all intramolecular interactions including resonance couplings in a wide spectral range. The final aim of this work is to provide reliable predictions which could be quantitatively accurate with respect to the precision of available observations and as complete as possible. All this thus requires extensive first-principles quantum mechanical calculations essentially based on three necessary ingredients which are (i) accurate intramolecular potential energy surface and dipole moment surface components well-defined in a large range of vibrational displacements and (ii) efficient computational methods combined with suitable choices of coordinates to account for molecular symmetry properties and to achieve a good numerical
Explorations in quantum computing
Williams, Colin P
2011-01-01
By the year 2020, the basic memory components of a computer will be the size of individual atoms. At such scales, the current theory of computation will become invalid. ""Quantum computing"" is reinventing the foundations of computer science and information theory in a way that is consistent with quantum physics - the most accurate model of reality currently known. Remarkably, this theory predicts that quantum computers can perform certain tasks breathtakingly faster than classical computers -- and, better yet, can accomplish mind-boggling feats such as teleporting information, breaking suppos
Flisgen, Thomas; van Rienen, Ursula
2016-01-01
External quality factors are significant quantities to describe losses via waveguide ports in radio frequency resonators. The current contribution presents a novel approach to determine external quality factors by means of a two-step procedure: First, a state-space model for the lossless radio frequency structure is generated and its model order is reduced. Subsequently, a perturbation method is applied on the reduced model so that external losses are accounted for. The advantage of this approach results from the fact that the challenges in dealing with lossy systems are shifted to the reduced order model. This significantly saves computational costs. The present paper provides a short overview on existing methods to compute external quality factors. Then, the novel approach is introduced and validated in terms of accuracy and computational time by means of commercial software.
Evaporator modeling - A hybrid approach
International Nuclear Information System (INIS)
Ding Xudong; Cai Wenjian; Jia Lei; Wen Changyun
2009-01-01
In this paper, a hybrid modeling approach is proposed to model two-phase flow evaporators. The main procedures for hybrid modeling includes: (1) Based on the energy and material balance, and thermodynamic principles to formulate the process fundamental governing equations; (2) Select input/output (I/O) variables responsible to the system performance which can be measured and controlled; (3) Represent those variables existing in the original equations but are not measurable as simple functions of selected I/Os or constants; (4) Obtaining a single equation which can correlate system inputs and outputs; and (5) Identify unknown parameters by linear or nonlinear least-squares methods. The method takes advantages of both physical and empirical modeling approaches and can accurately predict performance in wide operating range and in real-time, which can significantly reduce the computational burden and increase the prediction accuracy. The model is verified with the experimental data taken from a testing system. The testing results show that the proposed model can predict accurately the performance of the real-time operating evaporator with the maximum error of ±8%. The developed models will have wide applications in operational optimization, performance assessment, fault detection and diagnosis
Integrative computational approach for genome-based study of microbial lipid-degrading enzymes.
Vorapreeda, Tayvich; Thammarongtham, Chinae; Laoteng, Kobkul
2016-07-01
Lipid-degrading or lipolytic enzymes have gained enormous attention in academic and industrial sectors. Several efforts are underway to discover new lipase enzymes from a variety of microorganisms with particular catalytic properties to be used for extensive applications. In addition, various tools and strategies have been implemented to unravel the functional relevance of the versatile lipid-degrading enzymes for special purposes. This review highlights the study of microbial lipid-degrading enzymes through an integrative computational approach. The identification of putative lipase genes from microbial genomes and metagenomic libraries using homology-based mining is discussed, with an emphasis on sequence analysis of conserved motifs and enzyme topology. Molecular modelling of three-dimensional structure on the basis of sequence similarity is shown to be a potential approach for exploring the structural and functional relationships of candidate lipase enzymes. The perspectives on a discriminative framework of cutting-edge tools and technologies, including bioinformatics, computational biology, functional genomics and functional proteomics, intended to facilitate rapid progress in understanding lipolysis mechanism and to discover novel lipid-degrading enzymes of microorganisms are discussed.
Bonetto, P.; Qi, Jinyi; Leahy, R. M.
2000-08-01
Describes a method for computing linear observer statistics for maximum a posteriori (MAP) reconstructions of PET images. The method is based on a theoretical approximation for the mean and covariance of MAP reconstructions. In particular, the authors derive here a closed form for the channelized Hotelling observer (CHO) statistic applied to 2D MAP images. The theoretical analysis models both the Poission statistics of PET data and the inhomogeneity of tracer uptake. The authors show reasonably good correspondence between these theoretical results and Monte Carlo studies. The accuracy and low computational cost of the approximation allow the authors to analyze the observer performance over a wide range of operating conditions and parameter settings for the MAP reconstruction algorithm.
Templet Web: the use of volunteer computing approach in PaaS-style cloud
Directory of Open Access Journals (Sweden)
Vostokin Sergei
2018-03-01
Full Text Available This article presents the Templet Web cloud service. The service is designed for high-performance scientific computing automation. The use of high-performance technology is specifically required by new fields of computational science such as data mining, artificial intelligence, machine learning, and others. Cloud technologies provide a significant cost reduction for high-performance scientific applications. The main objectives to achieve this cost reduction in the Templet Web service design are: (a the implementation of “on-demand” access; (b source code deployment management; (c high-performance computing programs development automation. The distinctive feature of the service is the approach mainly used in the field of volunteer computing, when a person who has access to a computer system delegates his access rights to the requesting user. We developed an access procedure, algorithms, and software for utilization of free computational resources of the academic cluster system in line with the methods of volunteer computing. The Templet Web service has been in operation for five years. It has been successfully used for conducting laboratory workshops and solving research problems, some of which are considered in this article. The article also provides an overview of research directions related to service development.
Accurate Computed Enthalpies of Spin Crossover in Iron and Cobalt Complexes
DEFF Research Database (Denmark)
Kepp, Kasper Planeta; Cirera, J
2009-01-01
Despite their importance in many chemical processes, the relative energies of spin states of transition metal complexes have so far been haunted by large computational errors. By the use of six functionals, B3LYP, BP86, TPSS, TPSSh, M06L, and M06L, this work studies nine complexes (seven with iron...
Computational Methods for Conformational Sampling of Biomolecules
DEFF Research Database (Denmark)
Bottaro, Sandro
mathematical approach to a classic geometrical problem in protein simulations, and demonstrated its superiority compared to existing approaches. Secondly, we have constructed a more accurate implicit model of the aqueous environment, which is of fundamental importance in protein chemistry. This model......Proteins play a fundamental role in virtually every process within living organisms. For example, some proteins act as enzymes, catalyzing a wide range of reactions necessary for life, others mediate the cell interaction with the surrounding environment and still others have regulatory functions...... is computationally much faster than models where water molecules are represented explicitly. Finally, in collaboration with the group of structural bioinformatics at the Department of Biology (KU), we have applied these techniques in the context of modeling of protein structure and flexibility from low...
Computational enzyme design approaches with significant biological outcomes: progress and challenges
Li, Xiaoman; Zhang, Ziding; Song, Jiangning
2012-01-01
Enzymes are powerful biocatalysts, however, so far there is still a large gap between the number of enzyme-based practical applications and that of naturally occurring enzymes. Multiple experimental approaches have been applied to generate nearly all possible mutations of target enzymes, allowing the identification of desirable variants with improved properties to meet the practical needs. Meanwhile, an increasing number of computational methods have been developed to assist in the modificati...
High resolution integral holography using Fourier ptychographic approach.
Li, Zhaohui; Zhang, Jianqi; Wang, Xiaorui; Liu, Delian
2014-12-29
An innovative approach is proposed for calculating high resolution computer generated integral holograms by using the Fourier Ptychographic (FP) algorithm. The approach initializes a high resolution complex hologram with a random guess, and then stitches together low resolution multi-view images, synthesized from the elemental images captured by integral imaging (II), to recover the high resolution hologram through an iterative retrieval with FP constrains. This paper begins with an analysis of the principle of hologram synthesis from multi-projections, followed by an accurate determination of the constrains required in the Fourier ptychographic integral-holography (FPIH). Next, the procedure of the approach is described in detail. Finally, optical reconstructions are performed and the results are demonstrated. Theoretical analysis and experiments show that our proposed approach can reconstruct 3D scenes with high resolution.
Methodical Approaches to Teaching of Computer Modeling in Computer Science Course
Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina
2015-01-01
The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…
Facial Emotion Recognition Using Context Based Multimodal Approach
Directory of Open Access Journals (Sweden)
Priya Metri
2011-12-01
Full Text Available Emotions play a crucial role in person to person interaction. In recent years, there has been a growing interest in improving all aspects of interaction between humans and computers. The ability to understand human emotions is desirable for the computer in several applications especially by observing facial expressions. This paper explores a ways of human-computer interaction that enable the computer to be more aware of the user’s emotional expressions we present a approach for the emotion recognition from a facial expression, hand and body posture. Our model uses multimodal emotion recognition system in which we use two different models for facial expression recognition and for hand and body posture recognition and then combining the result of both classifiers using a third classifier which give the resulting emotion . Multimodal system gives more accurate result than a signal or bimodal system
Computational Discovery of Materials Using the Firefly Algorithm
Avendaño-Franco, Guillermo; Romero, Aldo
Our current ability to model physical phenomena accurately, the increase computational power and better algorithms are the driving forces behind the computational discovery and design of novel materials, allowing for virtual characterization before their realization in the laboratory. We present the implementation of a novel firefly algorithm, a population-based algorithm for global optimization for searching the structure/composition space. This novel computation-intensive approach naturally take advantage of concurrency, targeted exploration and still keeping enough diversity. We apply the new method in both periodic and non-periodic structures and we present the implementation challenges and solutions to improve efficiency. The implementation makes use of computational materials databases and network analysis to optimize the search and get insights about the geometric structure of local minima on the energy landscape. The method has been implemented in our software PyChemia, an open-source package for materials discovery. We acknowledge the support of DMREF-NSF 1434897 and the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research under Contract 54075-ND10.
Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P
2016-09-01
One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.
Approaching multiphase flows from the perspective of computational fluid dynamics
International Nuclear Information System (INIS)
Banas, A.O.
1992-01-01
Thermalhydraulic simulation methodologies based on subchannel and porous-medium concepts are briefly reviewed and contrasted with the general approach of Computational Fluid Dynamics (CFD). An outline of the advanced CFD methods for single-phase turbulent flows is followed by a short discussion of the unified formulation of averaged equations for turbulent and multiphase flows. Some of the recent applications of CFD at Chalk River Laboratories are discussed, and the complementary role of CFD with regard to the established thermalhydraulic methods of analysis is indicated. (author). 8 refs
Improved fingercode alignment for accurate and compact fingerprint recognition
CSIR Research Space (South Africa)
Brown, Dane
2016-05-01
Full Text Available Alignment for Accurate and Compact Fingerprint Recognition Dane Brown∗† and Karen Bradshaw∗ ∗Department of Computer Science Rhodes University Grahamstown, South Africa †Council for Scientific and Industrial Research Modelling and Digital Sciences Pretoria.... The experimental analysis and results are discussed in Section IV. Section V concludes the paper. II. RELATED STUDIES FingerCode [1] uses circular tessellation of filtered finger- print images centered at the reference point, which results in a circular ROI...
Mittra, R.; Rushdi, A.
1979-01-01
An approach for computing the geometrical optic fields reflected from a numerically specified surface is presented. The approach includes the step of deriving a specular point and begins with computing the reflected rays off the surface at the points where their coordinates, as well as the partial derivatives (or equivalently, the direction of the normal), are numerically specified. Then, a cluster of three adjacent rays are chosen to define a 'mean ray' and the divergence factor associated with this mean ray. Finally, the ampilitude, phase, and vector direction of the reflected field at a given observation point are derived by associating this point with the nearest mean ray and determining its position relative to such a ray.
A Hybrid Autonomic Computing-Based Approach to Distributed Constraint Satisfaction Problems
Directory of Open Access Journals (Sweden)
Abhishek Bhatia
2015-03-01
Full Text Available Distributed constraint satisfaction problems (DisCSPs are among the widely endeavored problems using agent-based simulation. Fernandez et al. formulated sensor and mobile tracking problem as a DisCSP, known as SensorDCSP In this paper, we adopt a customized ERE (environment, reactive rules and entities algorithm for the SensorDCSP, which is otherwise proven as a computationally intractable problem. An amalgamation of the autonomy-oriented computing (AOC-based algorithm (ERE and genetic algorithm (GA provides an early solution of the modeled DisCSP. Incorporation of GA into ERE facilitates auto-tuning of the simulation parameters, thereby leading to an early solution of constraint satisfaction. This study further contributes towards a model, built up in the NetLogo simulation environment, to infer the efficacy of the proposed approach.
Fast and accurate calculation of the properties of water and steam for simulation
International Nuclear Information System (INIS)
Szegi, Zs.; Gacs, A.
1990-01-01
A basic principle simulator was developed at the CRIP, Budapest, for real time simulation of the transients of WWER-440 type nuclear power plants. Its integral part is the fast and accurate calculation of the thermodynamic properties of water and steam. To eliminate successive approximations, the model system of the secondary coolant circuit requires binary forms which are known as inverse functions, countinuous when crossing the saturation line, accurate and coherent for all argument combinations. A solution which reduces the computer memory and execution time demand is reported. (author) 36 refs.; 5 figs.; 3 tabs
Accurately bi-orthogonal direct and adjoint lambda modes via two-sided Eigen-solvers
International Nuclear Information System (INIS)
Roman, J.E.; Vidal, V.; Verdu, G.
2005-01-01
This work is concerned with the accurate computation of the dominant l-modes (Lambda mode) of the reactor core in order to approximate the solution of the neutron diffusion equation in different situations such as the transient modal analysis. In a previous work, the problem was already addressed by implementing a parallel program based on SLEPc (Scalable Library for Eigenvalue Problem Computations), a public domain software for the solution of eigenvalue problems. Now, the proposed solution is extended by incorporating also the computation of the adjoint l-modes in such a way that the bi-orthogonality condition is enforced very accurately. This feature is very desirable in some types of analyses, and in the proposed scheme it is achieved by making use of two-sided eigenvalue solving software. Current implementations of some of these software, while still susceptible of improvement, show that they can be competitive in terms of response time and accuracy with respect to other types of eigenvalue solving software. The code developed by the authors has parallel capabilities in order to be able to analyze reactors with a great level of detail in a short time. (authors)
Accurately bi-orthogonal direct and adjoint lambda modes via two-sided Eigen-solvers
Energy Technology Data Exchange (ETDEWEB)
Roman, J.E.; Vidal, V. [Valencia Univ. Politecnica, D. Sistemas Informaticos y Computacion (Spain); Verdu, G. [Valencia Univ. Politecnica, D. Ingenieria Quimica y Nuclear (Spain)
2005-07-01
This work is concerned with the accurate computation of the dominant l-modes (Lambda mode) of the reactor core in order to approximate the solution of the neutron diffusion equation in different situations such as the transient modal analysis. In a previous work, the problem was already addressed by implementing a parallel program based on SLEPc (Scalable Library for Eigenvalue Problem Computations), a public domain software for the solution of eigenvalue problems. Now, the proposed solution is extended by incorporating also the computation of the adjoint l-modes in such a way that the bi-orthogonality condition is enforced very accurately. This feature is very desirable in some types of analyses, and in the proposed scheme it is achieved by making use of two-sided eigenvalue solving software. Current implementations of some of these software, while still susceptible of improvement, show that they can be competitive in terms of response time and accuracy with respect to other types of eigenvalue solving software. The code developed by the authors has parallel capabilities in order to be able to analyze reactors with a great level of detail in a short time. (authors)
Analytical and computational approaches to define the Aspergillus niger secretome
Energy Technology Data Exchange (ETDEWEB)
Tsang, Adrian; Butler, Gregory D.; Powlowski, Justin; Panisko, Ellen A.; Baker, Scott E.
2009-03-01
We used computational and mass spectrometric approaches to characterize the Aspergillus niger secretome. The 11,200 gene models predicted in the genome of A. niger strain ATCC 1015 were the data source for the analysis. Depending on the computational methods used, 691 to 881 proteins were predicted to be secreted proteins. We cultured A. niger in six different media and analyzed the extracellular proteins produced using mass spectrometry. A total of 222 proteins were identified, with 39 proteins expressed under all six conditions and 74 proteins expressed under only one condition. The secreted proteins identified by mass spectrometry were used to guide the correction of about 20 gene models. Additional analysis focused on extracellular enzymes of interest for biomass processing. Of the 63 glycoside hydrolases predicted to be capable of hydrolyzing cellulose, hemicellulose or pectin, 94% of the exo-acting enzymes and only 18% of the endo-acting enzymes were experimentally detected.
Directory of Open Access Journals (Sweden)
Charles Yaacoub
2017-01-01
Full Text Available Electroencephalography is a non-invasive measure of the brain electrical activity generated by millions of neurons. Feature extraction in electroencephalography analysis is a core issue that may lead to accurate brain mental state classification. This paper presents a new feature selection method that improves left/right hand movement identification of a motor imagery brain-computer interface, based on genetic algorithms and artificial neural networks used as classifiers. Raw electroencephalography signals are first preprocessed using appropriate filtering. Feature extraction is carried out afterwards, based on spectral and temporal signal components, and thus a feature vector is constructed. As various features might be inaccurate and mislead the classifier, thus degrading the overall system performance, the proposed approach identifies a subset of features from a large feature space, such that the classifier error rate is reduced. Experimental results show that the proposed method is able to reduce the number of features to as low as 0.5% (i.e., the number of ignored features can reach 99.5% while improving the accuracy, sensitivity, specificity, and precision of the classifier.
Yaacoub, Charles; Mhanna, Georges; Rihana, Sandy
2017-01-23
Electroencephalography is a non-invasive measure of the brain electrical activity generated by millions of neurons. Feature extraction in electroencephalography analysis is a core issue that may lead to accurate brain mental state classification. This paper presents a new feature selection method that improves left/right hand movement identification of a motor imagery brain-computer interface, based on genetic algorithms and artificial neural networks used as classifiers. Raw electroencephalography signals are first preprocessed using appropriate filtering. Feature extraction is carried out afterwards, based on spectral and temporal signal components, and thus a feature vector is constructed. As various features might be inaccurate and mislead the classifier, thus degrading the overall system performance, the proposed approach identifies a subset of features from a large feature space, such that the classifier error rate is reduced. Experimental results show that the proposed method is able to reduce the number of features to as low as 0.5% (i.e., the number of ignored features can reach 99.5%) while improving the accuracy, sensitivity, specificity, and precision of the classifier.
International Nuclear Information System (INIS)
Hahn, Song Yop
1985-01-01
A method employing infinite elements is described for the magnetic field computations of the magnetic circuits with permanent magnet. The system stiffness matrix is derived by a variational approach, while the interfacial boundary conditions between the finite element regions and the infinite element regions are dealt with using collocation method. The proposed method is applied to a simple linear problems, and the numerical results are compared with those of the standard finite element method and the analytic solutions. It is observed that the proposed method gives more accurate results than those of the standard finite element method under the same computing efforts. (Author)
An Iterative Load Disaggregation Approach Based on Appliance Consumption Pattern
Directory of Open Access Journals (Sweden)
Huijuan Wang
2018-04-01
Full Text Available Non-intrusive load monitoring (NILM, monitoring single-appliance consumption level by decomposing the aggregated energy consumption, is a novel and economic technology that is beneficial to energy utilities and energy demand management strategies development. Hardware costs of high-frequency sampling and algorithm’s computational complexity hampered NILM large-scale application. However, low sampling data shows poor performance in event detection when multiple appliances are simultaneously turned on. In this paper, we contribute an iterative disaggregation approach that is based on appliance consumption pattern (ILDACP. Our approach combined Fuzzy C-means clustering algorithm, which provide an initial appliance operating status, and sub-sequence searching Dynamic Time Warping, which retrieves single energy consumption based on the typical power consumption pattern. Results show that the proposed approach is effective to accurately disaggregate power consumption, and is suitable for the situation where different appliances are simultaneously operated. Also, the approach has lower computational complexity than Hidden Markov Model method and it is easy to implement in the household without installing special equipment.
Robust and accurate vectorization of line drawings.
Hilaire, Xavier; Tombre, Karl
2006-06-01
This paper presents a method for vectorizing the graphical parts of paper-based line drawings. The method consists of separating the input binary image into layers of homogeneous thickness, skeletonizing each layer, segmenting the skeleton by a method based on random sampling, and simplifying the result. The segmentation method is robust with a best bound of 50 percent noise reached for indefinitely long primitives. Accurate estimation of the recognized vector's parameters is enabled by explicitly computing their feasibility domains. Theoretical performance analysis and expression of the complexity of the segmentation method are derived. Experimental results and comparisons with other vectorization systems are also provided.
A novel dual energy method for enhanced quantitative computed tomography
Emami, A.; Ghadiri, H.; Rahmim, A.; Ay, M. R.
2018-01-01
Accurate assessment of bone mineral density (BMD) is critically important in clinical practice, and conveniently enabled via quantitative computed tomography (QCT). Meanwhile, dual-energy QCT (DEQCT) enables enhanced detection of small changes in BMD relative to single-energy QCT (SEQCT). In the present study, we aimed to investigate the accuracy of QCT methods, with particular emphasis on a new dual-energy approach, in comparison to single-energy and conventional dual-energy techniques. We used a sinogram-based analytical CT simulator to model the complete chain of CT data acquisitions, and assessed performance of SEQCT and different DEQCT techniques in quantification of BMD. We demonstrate a 120% reduction in error when using a proposed dual-energy Simultaneous Equation by Constrained Least-squares method, enabling more accurate bone mineral measurements.
International Nuclear Information System (INIS)
Brandt, J.; Ebel, A.; Elbern, H.; Jakobs, H.; Memmesheimer, M.; Mikkelsen, T.; Thykier-Nielsen, S.; Zlatev, Z.
1997-01-01
Atmospheric transport of air pollutants is, in principle, a well understood process. If information about the state of the atmosphere is given in all details (infinitely accurate information about wind speed, etc.) and infinitely fast computers are available then the advection equation could in principle be solved exactly. This is, however, not the case: discretization of the equations and input data introduces some uncertainties and errors in the results. Therefore many different issues have to be carefully studied in order to diminish these uncertainties and to develop an accurate transport model. Some of these are e.g. the numerical treatment of the transport equation, accuracy of the mean meteorological input fields and parameterizations of sub-grid scale phenomena (as e.g. parameterizations of the 2 nd and higher order turbulence terms in order to reach closure in the perturbation equation). A tracer model for studying transport and dispersion of air pollution caused by a single but strong source is under development. The model simulations from the first ETEX release illustrate the differences caused by using various analyzed fields directly in the tracer model or using a meteorological driver. Also different parameterizations of the mixing height and the vertical exchange are compared. (author)
Teaching Scientific Computing: A Model-Centered Approach to Pipeline and Parallel Programming with C
Directory of Open Access Journals (Sweden)
Vladimiras Dolgopolovas
2015-01-01
Full Text Available The aim of this study is to present an approach to the introduction into pipeline and parallel computing, using a model of the multiphase queueing system. Pipeline computing, including software pipelines, is among the key concepts in modern computing and electronics engineering. The modern computer science and engineering education requires a comprehensive curriculum, so the introduction to pipeline and parallel computing is the essential topic to be included in the curriculum. At the same time, the topic is among the most motivating tasks due to the comprehensive multidisciplinary and technical requirements. To enhance the educational process, the paper proposes a novel model-centered framework and develops the relevant learning objects. It allows implementing an educational platform of constructivist learning process, thus enabling learners’ experimentation with the provided programming models, obtaining learners’ competences of the modern scientific research and computational thinking, and capturing the relevant technical knowledge. It also provides an integral platform that allows a simultaneous and comparative introduction to pipelining and parallel computing. The programming language C for developing programming models and message passing interface (MPI and OpenMP parallelization tools have been chosen for implementation.
2009-02-03
computational approach to accommodation coefficients and its application to noble gases on aluminum surface Nathaniel Selden Uruversity of Southern Cahfornia, Los ...8217 ,. 0.’ a~ .......,..,P. • " ,,-0, "p"’U".. ,Po"D.’ 0.’P.... uro . P." FIG. 5: Experimental and computed radiometri~ force for argon (left), xenon
Improvements in fast-response flood modeling: desktop parallel computing and domain tracking
Energy Technology Data Exchange (ETDEWEB)
Judi, David R [Los Alamos National Laboratory; Mcpherson, Timothy N [Los Alamos National Laboratory; Burian, Steven J [UNIV. OF UTAH
2009-01-01
It is becoming increasingly important to have the ability to accurately forecast flooding, as flooding accounts for the most losses due to natural disasters in the world and the United States. Flood inundation modeling has been dominated by one-dimensional approaches. These models are computationally efficient and are considered by many engineers to produce reasonably accurate water surface profiles. However, because the profiles estimated in these models must be superimposed on digital elevation data to create a two-dimensional map, the result may be sensitive to the ability of the elevation data to capture relevant features (e.g. dikes/levees, roads, walls, etc...). Moreover, one-dimensional models do not explicitly represent the complex flow processes present in floodplains and urban environments and because two-dimensional models based on the shallow water equations have significantly greater ability to determine flow velocity and direction, the National Research Council (NRC) has recommended that two-dimensional models be used over one-dimensional models for flood inundation studies. This paper has shown that two-dimensional flood modeling computational time can be greatly reduced through the use of Java multithreading on multi-core computers which effectively provides a means for parallel computing on a desktop computer. In addition, this paper has shown that when desktop parallel computing is coupled with a domain tracking algorithm, significant computation time can be eliminated when computations are completed only on inundated cells. The drastic reduction in computational time shown here enhances the ability of two-dimensional flood inundation models to be used as a near-real time flood forecasting tool, engineering, design tool, or planning tool. Perhaps even of greater significance, the reduction in computation time makes the incorporation of risk and uncertainty/ensemble forecasting more feasible for flood inundation modeling (NRC 2000; Sayers et al
Towards scalable quantum communication and computation: Novel approaches and realizations
Jiang, Liang
Quantum information science involves exploration of fundamental laws of quantum mechanics for information processing tasks. This thesis presents several new approaches towards scalable quantum information processing. First, we consider a hybrid approach to scalable quantum computation, based on an optically connected network of few-qubit quantum registers. Specifically, we develop a novel scheme for scalable quantum computation that is robust against various imperfections. To justify that nitrogen-vacancy (NV) color centers in diamond can be a promising realization of the few-qubit quantum register, we show how to isolate a few proximal nuclear spins from the rest of the environment and use them for the quantum register. We also demonstrate experimentally that the nuclear spin coherence is only weakly perturbed under optical illumination, which allows us to implement quantum logical operations that use the nuclear spins to assist the repetitive-readout of the electronic spin. Using this technique, we demonstrate more than two-fold improvement in signal-to-noise ratio. Apart from direct application to enhance the sensitivity of the NV-based nano-magnetometer, this experiment represents an important step towards the realization of robust quantum information processors using electronic and nuclear spin qubits. We then study realizations of quantum repeaters for long distance quantum communication. Specifically, we develop an efficient scheme for quantum repeaters based on atomic ensembles. We use dynamic programming to optimize various quantum repeater protocols. In addition, we propose a new protocol of quantum repeater with encoding, which efficiently uses local resources (about 100 qubits) to identify and correct errors, to achieve fast one-way quantum communication over long distances. Finally, we explore quantum systems with topological order. Such systems can exhibit remarkable phenomena such as quasiparticles with anyonic statistics and have been proposed as
An accurate method for computer-generating tungsten anode x-ray spectra from 30 to 140 kV.
Boone, J M; Seibert, J A
1997-11-01
A tungsten anode spectral model using interpolating polynomials (TASMIP) was used to compute x-ray spectra at 1 keV intervals over the range from 30 kV to 140 kV. The TASMIP is not semi-empirical and uses no physical assumptions regarding x-ray production, but rather interpolates measured constant potential x-ray spectra published by Fewell et al. [Handbook of Computed Tomography X-ray Spectra (U.S. Government Printing Office, Washington, D.C., 1981)]. X-ray output measurements (mR/mAs measured at 1 m) were made on a calibrated constant potential generator in our laboratory from 50 kV to 124 kV, and with 0-5 mm added aluminum filtration. The Fewell spectra were slightly modified (numerically hardened) and normalized based on the attenuation and output characteristics of a constant potential generator and metal-insert x-ray tube in our laboratory. Then, using the modified Fewell spectra of different kVs, the photon fluence phi at each 1 keV energy bin (E) over energies from 10 keV to 140 keV was characterized using polynomial functions of the form phi (E) = a0[E] + a1[E] kV + a2[E] kV2 + ... + a(n)[E] kVn. A total of 131 polynomial functions were used to calculate accurate x-ray spectra, each function requiring between two and four terms. The resulting TASMIP algorithm produced x-ray spectra that match both the quality and quantity characteristics of the x-ray system in our laboratory. For photon fluences above 10% of the peak fluence in the spectrum, the average percent difference (and standard deviation) between the modified Fewell spectra and the TASMIP photon fluence was -1.43% (3.8%) for the 50 kV spectrum, -0.89% (1.37%) for the 70 kV spectrum, and for the 80, 90, 100, 110, 120, 130 and 140 kV spectra, the mean differences between spectra were all less than 0.20% and the standard deviations were less than approximately 1.1%. The model was also extended to include the effects of generator-induced kV ripple. Finally, the x-ray photon fluence in the units of
Wenger, Etienne
2014-01-01
Artificial Intelligence and Tutoring Systems: Computational and Cognitive Approaches to the Communication of Knowledge focuses on the cognitive approaches, methodologies, principles, and concepts involved in the communication of knowledge. The publication first elaborates on knowledge communication systems, basic issues, and tutorial dialogues. Concerns cover natural reasoning and tutorial dialogues, shift from local strategies to multiple mental models, domain knowledge, pedagogical knowledge, implicit versus explicit encoding of knowledge, knowledge communication, and practical and theoretic
Privacy-Preserving Computation with Trusted Computing via Scramble-then-Compute
Directory of Open Access Journals (Sweden)
Dang Hung
2017-07-01
Full Text Available We consider privacy-preserving computation of big data using trusted computing primitives with limited private memory. Simply ensuring that the data remains encrypted outside the trusted computing environment is insufficient to preserve data privacy, for data movement observed during computation could leak information. While it is possible to thwart such leakage using generic solution such as ORAM [42], designing efficient privacy-preserving algorithms is challenging. Besides computation efficiency, it is critical to keep trusted code bases lean, for large ones are unwieldy to vet and verify. In this paper, we advocate a simple approach wherein many basic algorithms (e.g., sorting can be made privacy-preserving by adding a step that securely scrambles the data before feeding it to the original algorithms. We call this approach Scramble-then-Compute (StC, and give a sufficient condition whereby existing external memory algorithms can be made privacy-preserving via StC. This approach facilitates code-reuse, and its simplicity contributes to a smaller trusted code base. It is also general, allowing algorithm designers to leverage an extensive body of known efficient algorithms for better performance. Our experiments show that StC could offer up to 4.1× speedups over known, application-specific alternatives.
Computer networks ISE a systems approach
Peterson, Larry L
2007-01-01
Computer Networks, 4E is the only introductory computer networking book written by authors who have had first-hand experience with many of the protocols discussed in the book, who have actually designed some of them as well, and who are still actively designing the computer networks today. This newly revised edition continues to provide an enduring, practical understanding of networks and their building blocks through rich, example-based instruction. The authors' focus is on the why of network design, not just the specifications comprising today's systems but how key technologies and p
Mason, Eric; Van Rompaey, Jason; Carrau, Ricardo; Panizza, Benedict; Solares, C Arturo
2014-03-01
Advances in the field of skull base surgery aim to maximize anatomical exposure while minimizing patient morbidity. The petroclival region of the skull base presents numerous challenges for surgical access due to the complex anatomy. The transcochlear approach to the region provides adequate access; however, the resection involved sacrifices hearing and results in at least a grade 3 facial palsy. An endoscopic endonasal approach could potentially avoid negative patient outcomes while providing a desirable surgical window in a select patient population. Cadaveric study. Endoscopic access to the petroclival region was achieved through an endonasal approach. For comparison, a transcochlear approach to the clivus was performed. Different facets of the dissections, such as bone removal volume and exposed surface area, were computed using computed tomography analysis. The endoscopic endonasal approach provided a sufficient corridor to the petroclival region with significantly less bone removal and nearly equivalent exposure of the surgical target, thus facilitating the identification of the relevant anatomy. The lateral approach allowed for better exposure from a posterolateral direction until the inferior petrosal sinus; however, the endonasal approach avoided labyrinthine/cochlear destruction and facial nerve manipulation while providing an anteromedial viewpoint. The endonasal approach also avoided external incisions and cosmetic deficits. The endonasal approach required significant sinonasal resection. Endoscopic access to the petroclival region is a feasible approach. It potentially avoids hearing loss, facial nerve manipulation, and cosmetic damage. © 2013 The American Laryngological, Rhinological and Otological Society, Inc.
Computational approaches in the design of synthetic receptors – A review
Energy Technology Data Exchange (ETDEWEB)
Cowen, Todd, E-mail: tc203@le.ac.uk; Karim, Kal; Piletsky, Sergey
2016-09-14
The rational design of molecularly imprinted polymers (MIPs) has been a major contributor to their reputation as “plastic antibodies” – high affinity robust synthetic receptors which can be optimally designed, and produced for a much reduced cost than their biological equivalents. Computational design has become a routine procedure in the production of MIPs, and has led to major advances in functional monomer screening, selection of cross-linker and solvent, optimisation of monomer(s)-template ratio and selectivity analysis. In this review the various computational methods will be discussed with reference to all the published relevant literature since the end of 2013, with each article described by the target molecule, the computational approach applied (whether molecular mechanics/molecular dynamics, semi-empirical quantum mechanics, ab initio quantum mechanics (Hartree-Fock, Møller–Plesset, etc.) or DFT) and the purpose for which they were used. Detailed analysis is given to novel techniques including analysis of polymer binding sites, the use of novel screening programs and simulations of MIP polymerisation reaction. The further advances in molecular modelling and computational design of synthetic receptors in particular will have serious impact on the future of nanotechnology and biotechnology, permitting the further translation of MIPs into the realms of analytics and medical technology. - Highlights: • A review of computational modelling in the design of molecularly imprinted polymers. • Target analytes and method of analysis for the vast majority of recent articles. • Explanations are given of all the popular and emerging techniques used in design. • Highlighted examples of sophisticated analysis of imprinted polymer systems.
Computational approaches in the design of synthetic receptors – A review
International Nuclear Information System (INIS)
Cowen, Todd; Karim, Kal; Piletsky, Sergey
2016-01-01
The rational design of molecularly imprinted polymers (MIPs) has been a major contributor to their reputation as “plastic antibodies” – high affinity robust synthetic receptors which can be optimally designed, and produced for a much reduced cost than their biological equivalents. Computational design has become a routine procedure in the production of MIPs, and has led to major advances in functional monomer screening, selection of cross-linker and solvent, optimisation of monomer(s)-template ratio and selectivity analysis. In this review the various computational methods will be discussed with reference to all the published relevant literature since the end of 2013, with each article described by the target molecule, the computational approach applied (whether molecular mechanics/molecular dynamics, semi-empirical quantum mechanics, ab initio quantum mechanics (Hartree-Fock, Møller–Plesset, etc.) or DFT) and the purpose for which they were used. Detailed analysis is given to novel techniques including analysis of polymer binding sites, the use of novel screening programs and simulations of MIP polymerisation reaction. The further advances in molecular modelling and computational design of synthetic receptors in particular will have serious impact on the future of nanotechnology and biotechnology, permitting the further translation of MIPs into the realms of analytics and medical technology. - Highlights: • A review of computational modelling in the design of molecularly imprinted polymers. • Target analytes and method of analysis for the vast majority of recent articles. • Explanations are given of all the popular and emerging techniques used in design. • Highlighted examples of sophisticated analysis of imprinted polymer systems.
International Nuclear Information System (INIS)
Barquin, J.; Centeno, E.; Reneses, J.
2004-01-01
The paper proposes a model to represent medium-term hydro-thermal operation of electrical power systems in deregulated frameworks. The model objective is to compute the oligopolistic market equilibrium point in which each utility maximises its profit, based on other firms' behaviour. This problem is not an optimisation one. The main contribution of the paper is to demonstrate that, nevertheless, under some reasonable assumptions, it can be formulated as an equivalent minimisation problem. A computer program has been coded by using the proposed approach. It is used to compute the market equilibrium of a real-size system. (author)
Rizki, Permata Nur Miftahur; Lee, Heezin; Lee, Minsu; Oh, Sangyoon
2017-01-01
With the rapid advance of remote sensing technology, the amount of three-dimensional point-cloud data has increased extraordinarily, requiring faster processing in the construction of digital elevation models. There have been several attempts to accelerate the computation using parallel methods; however, little attention has been given to investigating different approaches for selecting the most suited parallel programming model for a given computing environment. We present our findings and insights identified by implementing three popular high-performance parallel approaches (message passing interface, MapReduce, and GPGPU) on time demanding but accurate kriging interpolation. The performances of the approaches are compared by varying the size of the grid and input data. In our empirical experiment, we demonstrate the significant acceleration by all three approaches compared to a C-implemented sequential-processing method. In addition, we also discuss the pros and cons of each method in terms of usability, complexity infrastructure, and platform limitation to give readers a better understanding of utilizing those parallel approaches for gridding purposes.
a Recursive Approach to Compute Normal Forms
HSU, L.; MIN, L. J.; FAVRETTO, L.
2001-06-01
Normal forms are instrumental in the analysis of dynamical systems described by ordinary differential equations, particularly when singularities close to a bifurcation are to be characterized. However, the computation of a normal form up to an arbitrary order is numerically hard. This paper focuses on the computer programming of some recursive formulas developed earlier to compute higher order normal forms. A computer program to reduce the system to its normal form on a center manifold is developed using the Maple symbolic language. However, it should be stressed that the program relies essentially on recursive numerical computations, while symbolic calculations are used only for minor tasks. Some strategies are proposed to save computation time. Examples are presented to illustrate the application of the program to obtain high order normalization or to handle systems with large dimension.
Computer applications in nuclear medicine
International Nuclear Information System (INIS)
Lancaster, J.L.; Lasher, J.C.; Blumhardt, R.
1987-01-01
Digital computers were introduced to nuclear medicine research as an imaging modality in the mid-1960s. Widespread use of imaging computers (scintigraphic computers) was not seen in nuclear medicine clinics until the mid-1970s. For the user, the ability to acquire scintigraphic images into the computer for quantitative purposes, with accurate selection of regions of interest (ROIs), promised almost endless computational capabilities. Investigators quickly developed many new methods for quantitating the distribution patterns of radiopharmaceuticals within the body both spatially and temporally. The computer was used to acquire data on practically every organ that could be imaged by means of gamma cameras or rectilinear scanners. Methods of image processing borrowed from other disciplines were applied to scintigraphic computer images in an attempt to improve image quality. Image processing in nuclear medicine has evolved into a relatively extensive set of tasks that can be called on by the user to provide additional clinical information rather than to improve image quality. Digital computers are utilized in nuclear medicine departments for nonimaging applications also, Patient scheduling, archiving, radiopharmaceutical inventory, radioimmunoassay (RIA), and health physics are just a few of the areas in which the digital computer has proven helpful. The computer is useful in any area in which a large quantity of data needs to be accurately managed, especially over a long period of time
International Nuclear Information System (INIS)
Gitinavard, Hossein; Mousavi, S. Meysam; Vahdani, Behnam
2017-01-01
In numerous real-world energy decision problems, decision makers often encounter complex environments, in which existent imprecise data and uncertain information lead us to make an appropriate decision. In this paper, a new soft computing group decision-making approach is introduced based on novel compromise ranking method and interval-valued hesitant fuzzy sets (IVHFSs) for energy decision-making problems under multiple criteria. In the proposed approach, the assessment information is provided by energy experts or decision makers based on interval-valued hesitant fuzzy elements under incomplete criteria weights. In this respect, a new ranking index is presented respecting to interval-valued hesitant fuzzy Hamming distance measure to prioritize energy candidates, and criteria weights are computed based on an extended maximizing deviation method by considering the preferences experts' judgments about the relative importance of each criterion. Also, a decision making trial and evaluation laboratory (DEMATEL) method is extended under an IVHF-environment to compute the interdependencies between and within the selected criteria in the hierarchical structure. Accordingly, to demonstrate the applicability of the presented approach a case study and a practical example are provided regarding to hierarchical structure and criteria interdependencies relations for renewable energy and energy policy selection problems. Hence, the obtained computational results are compared with a fuzzy decision-making method from the recent literature based on some comparison parameters to show the advantages and constraints of the proposed approach. Finally, a sensitivity analysis is prepared to indicate effects of different criteria weights on ranking results to present the robustness or sensitiveness of the proposed soft computing approach versus the relative importance of criteria. - Highlights: • Introducing a novel interval-valued hesitant fuzzy compromise ranking method. • Presenting
Energy Technology Data Exchange (ETDEWEB)
Ahmadkhaniha, Reza; Shafiee, Abbas [Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran 14174 (Iran, Islamic Republic of); Rastkari, Noushin [Center for Environmental Research, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Kobarfard, Farzad [Department of Medicinal Chemistry, School of Pharmacy, Shaheed Beheshti University of Medical Sciences, Tavaneer Ave., Valieasr St., Tehran (Iran, Islamic Republic of)], E-mail: farzadkf@yahoo.com
2009-01-05
Determination of endogenous steroids in complex matrices such as cattle's meat is a challenging task. Since endogenous steroids always exist in animal tissues, no analyte-free matrices for constructing the standard calibration line will be available, which is crucial for accurate quantification specially at trace level. Although some methods have been proposed to solve the problem, none has offered a complete solution. To this aim, a new quantification strategy was developed in this study, which is named 'surrogate analyte approach' and is based on using isotope-labeled standards instead of natural form of endogenous steroids for preparing the calibration line. In comparison with the other methods, which are currently in use for the quantitation of endogenous steroids, this approach provides improved simplicity and speed for analysis on a routine basis. The accuracy of this method is better than other methods at low concentration and comparable to the standard addition at medium and high concentrations. The method was also found to be valid according to the ICH criteria for bioanalytical methods. The developed method could be a promising approach in the field of compounds residue analysis.
Can Computers Be Used for Whole Language Approaches to Reading and Language Arts?
Balajthy, Ernest
Holistic approaches to the teaching of reading and writing, most notably the Whole Language movement, reject the philosophy that language skills can be taught. Instead, holistic teachers emphasize process, and they structure the students' classroom activities to be rich in language experience. Computers can be used as tools for whole language…
Yeh, Duen-Yian; Cheng, Ching-Hsue
2016-01-01
This study examined the relationships among children's computer game use, academic achievement and parental governing approach to propose probable answers for the doubts of Taiwanese parents. 355 children (ages 11-14) were randomly sampled from 20 elementary schools in a typically urbanised county in Taiwan. Questionnaire survey (five questions)…
Resilient workflows for computational mechanics platforms
International Nuclear Information System (INIS)
Nguyen, Toan; Trifan, Laurentiu; Desideri, Jean-Antoine
2010-01-01
Workflow management systems have recently been the focus of much interest and many research and deployment for scientific applications worldwide. Their ability to abstract the applications by wrapping application codes have also stressed the usefulness of such systems for multidiscipline applications. When complex applications need to provide seamless interfaces hiding the technicalities of the computing infrastructures, their high-level modeling, monitoring and execution functionalities help giving production teams seamless and effective facilities. Software integration infrastructures based on programming paradigms such as Python, Mathlab and Scilab have also provided evidence of the usefulness of such approaches for the tight coupling of multidisciplne application codes. Also high-performance computing based on multi-core multi-cluster infrastructures open new opportunities for more accurate, more extensive and effective robust multi-discipline simulations for the decades to come. This supports the goal of full flight dynamics simulation for 3D aircraft models within the next decade, opening the way to virtual flight-tests and certification of aircraft in the future.
DEFF Research Database (Denmark)
Vandin, Andrea
2018-01-01
“A Holistic Approach for Collaborative Workload Execution in Volunteer Clouds” [3] proposes a novel approach to task scheduling in volunteer clouds. Volunteer clouds are decentralized cloud systems based on collaborative task execution, where clients voluntarily share their own unused computational...
Fürnstahl, Philipp; Vlachopoulos, Lazaros; Schweizer, Andreas; Fucentese, Sandro F; Koch, Peter P
2015-08-01
The accurate reduction of tibial plateau malunions can be challenging without guidance. In this work, we report on a novel technique that combines 3-dimensional computer-assisted planning with patient-specific surgical guides for improving reliability and accuracy of complex intraarticular corrective osteotomies. Preoperative planning based on 3-dimensional bone models was performed to simulate fragment mobilization and reduction in 3 cases. Surgical implementation of the preoperative plan using patient-specific cutting and reduction guides was evaluated; benefits and limitations of the approach were identified and discussed. The preliminary results are encouraging and show that complex, intraarticular corrective osteotomies can be accurately performed with this technique. For selective patients with complex malunions around the tibia plateau, this method might be an attractive option, with the potential to facilitate achieving the most accurate correction possible.
The development of accurate data for the desing of fast reactors
International Nuclear Information System (INIS)
Rossouw, P.A.
1976-04-01
The proposed use of nuclear power in the generation of electricity in South Africa and the use of fast reactors in the country's nuclear porgram, requires a method for fast reactor evluation. The availability of accurate neutron data and neutronics computation techniques for fast reactors are required for such an evaluation. The reacotr physics and reactor parameters of importance in the evaluation of fast reacotrs are discussed, and computer programs for the computation of reactor spectra and reacotr parameters from differential nuclear data are presented in this treatise. In endeavouring to increase the accuracy in fast reactor design, two methods for the improvement of differential nuclear data were developed and are discussed in detail. The computer programs which were developed for this purpose are also given. The neutron data of the most important fissionable and breeding nuclei (U 235 x U 238 x Pu 239 and Pu 240 ) are adjusted using both methods and the improved neutron data are tested by computation with an advanced neutronics computer program. The improved and orginal neutron data are compared and the use of the improved data in fast reactor design is discussed
Directory of Open Access Journals (Sweden)
Wilianto Wilianto
2015-10-01
Full Text Available This work discusses the development of information technology service management using cloud computing approach to improve the performance of administration system and online learning at STMIK IBBI Medan, Indonesia. The network topology is modeled and simulated for system administration and online learning. The same network topology is developed in cloud computing using Amazon AWS architecture. The model is designed and modeled using Riverbed Academic Edition Modeler to obtain values of the parameters: delay, load, CPU utilization, and throughput. The simu- lation results are the following. For network topology 1, without cloud computing, the average delay is 54 ms, load 110 000 bits/s, CPU utilization 1.1%, and throughput 440 bits/s. With cloud computing, the average delay is 45 ms, load 2 800 bits/s, CPU utilization 0.03%, and throughput 540 bits/s. For network topology 2, without cloud computing, the average delay is 39 ms, load 3 500 bits/s, CPU utilization 0.02%, and throughput database server 1 400 bits/s. With cloud computing, the average delay is 26 ms, load 5 400 bits/s, CPU utilization email server 0.0001%, FTP server 0.001%, HTTP server 0.0002%, throughput email server 85 bits/s, FTP server 100 bits/sec, and HTTP server 95 bits/s. Thus, the delay, the load, and the CPU utilization decrease; but, the throughput increases. Information technology service management with cloud computing approach has better performance.
A Computer-Based Game That Promotes Mathematics Learning More than a Conventional Approach
McLaren, Bruce M.; Adams, Deanne M.; Mayer, Richard E.; Forlizzi, Jodi
2017-01-01
Excitement about learning from computer-based games has been papable in recent years and has led to the development of many educational games. However, there are relatively few sound empirical studies in the scientific literature that have shown the benefits of learning mathematics from games as opposed to more traditional approaches. The…
Converting differential-equation models of biological systems to membrane computing.
Muniyandi, Ravie Chandren; Zin, Abdullah Mohd; Sanders, J W
2013-12-01
This paper presents a method to convert the deterministic, continuous representation of a biological system by ordinary differential equations into a non-deterministic, discrete membrane computation. The dynamics of the membrane computation is governed by rewrite rules operating at certain rates. That has the advantage of applying accurately to small systems, and to expressing rates of change that are determined locally, by region, but not necessary globally. Such spatial information augments the standard differentiable approach to provide a more realistic model. A biological case study of the ligand-receptor network of protein TGF-β is used to validate the effectiveness of the conversion method. It demonstrates the sense in which the behaviours and properties of the system are better preserved in the membrane computing model, suggesting that the proposed conversion method may prove useful for biological systems in particular. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.
Hollis-Sawyer, Lisa A.; Sterns, Harvey L.
1999-01-01
Spreadsheet training using either goal-oriented or verbal persuasion approach was given to 106 computer novices aged 50-89. Goal orientation achieved more changes in computer attitudes, efficacy, and proficiency. Intellectual ability and personality dimensions did not affect results. (SK)
Computational model of precision grip in Parkinson’s disease: A Utility based approach
Directory of Open Access Journals (Sweden)
Ankur eGupta
2013-12-01
Full Text Available We propose a computational model of Precision Grip (PG performance in normal subjects and Parkinson’s Disease (PD patients. Prior studies on grip force generation in PD patients show an increase in grip force during ON medication and an increase in the variability of the grip force during OFF medication (Fellows et al 1998; Ingvarsson et al 1997. Changes in grip force generation in dopamine-deficient PD conditions strongly suggest contribution of the Basal Ganglia, a deep brain system having a crucial role in translating dopamine signals to decision making. The present approach is to treat the problem of modeling grip force generation as a problem of action selection, which is one of the key functions of the Basal Ganglia. The model consists of two components: 1 the sensory-motor loop component, and 2 the Basal Ganglia component. The sensory-motor loop component converts a reference position and a reference grip force, into lift force and grip force profiles, respectively. These two forces cooperate in grip-lifting a load. The sensory-motor loop component also includes a plant model that represents the interaction between two fingers involved in PG, and the object to be lifted. The Basal Ganglia component is modeled using Reinforcement Learning with the significant difference that the action selection is performed using utility distribution instead of using purely Value-based distribution, thereby incorporating risk-based decision making. The proposed model is able to account for the precision grip results from normal and PD patients accurately (Fellows et. al. 1998; Ingvarsson et. al. 1997. To our knowledge the model is the first model of precision grip in PD conditions.
Vehicular traffic noise prediction using soft computing approach.
Singh, Daljeet; Nigam, S P; Agrawal, V P; Kumar, Maneek
2016-12-01
A new approach for the development of vehicular traffic noise prediction models is presented. Four different soft computing methods, namely, Generalized Linear Model, Decision Trees, Random Forests and Neural Networks, have been used to develop models to predict the hourly equivalent continuous sound pressure level, Leq, at different locations in the Patiala city in India. The input variables include the traffic volume per hour, percentage of heavy vehicles and average speed of vehicles. The performance of the four models is compared on the basis of performance criteria of coefficient of determination, mean square error and accuracy. 10-fold cross validation is done to check the stability of the Random Forest model, which gave the best results. A t-test is performed to check the fit of the model with the field data. Copyright © 2016 Elsevier Ltd. All rights reserved.
Accurate phenotyping: Reconciling approaches through Bayesian model averaging.
Directory of Open Access Journals (Sweden)
Carla Chia-Ming Chen
Full Text Available Genetic research into complex diseases is frequently hindered by a lack of clear biomarkers for phenotype ascertainment. Phenotypes for such diseases are often identified on the basis of clinically defined criteria; however such criteria may not be suitable for understanding the genetic composition of the diseases. Various statistical approaches have been proposed for phenotype definition; however our previous studies have shown that differences in phenotypes estimated using different approaches have substantial impact on subsequent analyses. Instead of obtaining results based upon a single model, we propose a new method, using Bayesian model averaging to overcome problems associated with phenotype definition. Although Bayesian model averaging has been used in other fields of research, this is the first study that uses Bayesian model averaging to reconcile phenotypes obtained using multiple models. We illustrate the new method by applying it to simulated genetic and phenotypic data for Kofendred personality disorder-an imaginary disease with several sub-types. Two separate statistical methods were used to identify clusters of individuals with distinct phenotypes: latent class analysis and grade of membership. Bayesian model averaging was then used to combine the two clusterings for the purpose of subsequent linkage analyses. We found that causative genetic loci for the disease produced higher LOD scores using model averaging than under either individual model separately. We attribute this improvement to consolidation of the cores of phenotype clusters identified using each individual method.
Integrative approaches to computational biomedicine
Coveney, Peter V.; Diaz-Zuccarini, Vanessa; Graf, Norbert; Hunter, Peter; Kohl, Peter; Tegner, Jesper; Viceconti, Marco
2013-01-01
The new discipline of computational biomedicine is concerned with the application of computer-based techniques and particularly modelling and simulation to human health. Since 2007, this discipline has been synonymous, in Europe, with the name given to the European Union's ambitious investment in integrating these techniques with the eventual aim of modelling the human body as a whole: the virtual physiological human. This programme and its successors are expected, over the next decades, to transform the study and practice of healthcare, moving it towards the priorities known as ‘4P's’: predictive, preventative, personalized and participatory medicine.
Gupta, Puneet; Bhowmick, Brojeshwar; Pal, Arpan
2017-07-01
Camera-equipped devices are ubiquitous and proliferating in the day-to-day life. Accurate heart rate (HR) estimation from the face videos acquired from the low cost cameras in a non-contact manner, can be used in many real-world scenarios and hence, require rigorous exploration. This paper has presented an accurate and near real-time HR estimation system using these face videos. It is based on the phenomenon that the color and motion variations in the face video are closely related to the heart beat. The variations also contain the noise due to facial expressions, respiration, eye blinking and environmental factors which are handled by the proposed system. Neither Eulerian nor Lagrangian temporal signals can provide accurate HR in all the cases. The cases where Eulerian temporal signals perform spuriously are determined using a novel poorness measure and then both the Eulerian and Lagrangian temporal signals are employed for better HR estimation. Such a fusion is referred as serial fusion. Experimental results reveal that the error introduced in the proposed algorithm is 1.8±3.6 which is significantly lower than the existing well known systems.
A practical method for accurate quantification of large fault trees
International Nuclear Information System (INIS)
Choi, Jong Soo; Cho, Nam Zin
2007-01-01
This paper describes a practical method to accurately quantify top event probability and importance measures from incomplete minimal cut sets (MCS) of a large fault tree. The MCS-based fault tree method is extensively used in probabilistic safety assessments. Several sources of uncertainties exist in MCS-based fault tree analysis. The paper is focused on quantification of the following two sources of uncertainties: (1) the truncation neglecting low-probability cut sets and (2) the approximation in quantifying MCSs. The method proposed in this paper is based on a Monte Carlo simulation technique to estimate probability of the discarded MCSs and the sum of disjoint products (SDP) approach complemented by the correction factor approach (CFA). The method provides capability to accurately quantify the two uncertainties and estimate the top event probability and importance measures of large coherent fault trees. The proposed fault tree quantification method has been implemented in the CUTREE code package and is tested on the two example fault trees
Ida, Masato; Taniguchi, Nobuyuki
2003-09-01
This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.
Ghandehari, Masoud; Emig, Thorsten; Aghamohamadnia, Milad
2018-02-02
Despite decades of research seeking to derive the urban energy budget, the dynamics of thermal exchange in the densely constructed environment is not yet well understood. Using New York City as a study site, we present a novel hybrid experimental-computational approach for a better understanding of the radiative heat transfer in complex urban environments. The aim of this work is to contribute to the calculation of the urban energy budget, particularly the stored energy. We will focus our attention on surface thermal radiation. Improved understanding of urban thermodynamics incorporating the interaction of various bodies, particularly in high rise cities, will have implications on energy conservation at the building scale, and for human health and comfort at the urban scale. The platform presented is based on longwave hyperspectral imaging of nearly 100 blocks of Manhattan, in addition to a geospatial radiosity model that describes the collective radiative heat exchange between multiple buildings. Despite assumptions in surface emissivity and thermal conductivity of buildings walls, the close comparison of temperatures derived from measurements and computations is promising. Results imply that the presented geospatial thermodynamic model of urban structures can enable accurate and high resolution analysis of instantaneous urban surface temperatures.
Joyce, Brendan; Lee, Danny; Rubio, Alex; Ogurtsov, Aleksey; Alves, Gelio; Yu, Yi-Kuo
2018-01-01
Abstract Objective RAId is a software package that has been actively developed for the past 10 years for computationally and visually analyzing MS/MS data. Founded on rigorous statistical methods, RAId’s core program computes accurate E-values for peptides and proteins identified during database searches. Making this robust tool readily accessible for the proteomics community by developing a graphical user interface (GUI) is our main goa...
Adams, M.; Kempka, T.; Chabab, E.; Ziegler, M.
2018-02-01
Estimating the efficiency and sustainability of geological subsurface utilization, i.e., Carbon Capture and Storage (CCS) requires an integrated risk assessment approach, considering the occurring coupled processes, beside others, the potential reactivation of existing faults. In this context, hydraulic and mechanical parameter uncertainties as well as different injection rates have to be considered and quantified to elaborate reliable environmental impact assessments. Consequently, the required sensitivity analyses consume significant computational time due to the high number of realizations that have to be carried out. Due to the high computational costs of two-way coupled simulations in large-scale 3D multiphase fluid flow systems, these are not applicable for the purpose of uncertainty and risk assessments. Hence, an innovative semi-analytical hydromechanical coupling approach for hydraulic fault reactivation will be introduced. This approach determines the void ratio evolution in representative fault elements using one preliminary base simulation, considering one model geometry and one set of hydromechanical parameters. The void ratio development is then approximated and related to one reference pressure at the base of the fault. The parametrization of the resulting functions is then directly implemented into a multiphase fluid flow simulator to carry out the semi-analytical coupling for the simulation of hydromechanical processes. Hereby, the iterative parameter exchange between the multiphase and mechanical simulators is omitted, since the update of porosity and permeability is controlled by one reference pore pressure at the fault base. The suggested procedure is capable to reduce the computational time required by coupled hydromechanical simulations of a multitude of injection rates by a factor of up to 15.
CREATIVE APPROACHES TO COMPUTER SCIENCE EDUCATION
Directory of Open Access Journals (Sweden)
V. B. Raspopov
2010-04-01
Full Text Available Using the example of PPS «Toolbox of multimedia lessons «For Children About Chopin» we demonstrate the possibility of involving creative students in developing the software packages for educational purposes. Similar projects can be assigned to school and college students studying computer sciences and informatics, and implemented under the teachers’ supervision, as advanced assignments or thesis projects as a part of a high school course IT or Computer Sciences, a college course of Applied Scientific Research, or as a part of preparation for students’ participation in the Computer Science competitions or IT- competitions of Youth Academy of Sciences ( MAN in Russian or in Ukrainian.
International Nuclear Information System (INIS)
Hoffstaetter, G.H.
1994-12-01
Analyzing stability of particle motion in storage rings contributes to the general field of stability analysis in weakly nonlinear motion. A method which we call pseudo invariant estimation (PIE) is used to compute lower bounds on the survival time in circular accelerators. The pseudeo invariants needed for this approach are computed via nonlinear perturbative normal form theory and the required global maxima of the highly complicated multivariate functions could only be rigorously bound with an extension of interval arithmetic. The bounds on the survival times are large enough to the relevant; the same is true for the lower bounds on dynamical aperatures, which can be computed. The PIE method can lead to novel design criteria with the objective of maximizing the survival time. A major effort in the direction of rigourous predictions only makes sense if accurate models of accelerators are available. Fringe fields often have a significant influence on optical properties, but the computation of fringe-field maps by DA based integration is slower by several orders of magnitude than DA evaluation of the propagator for main-field maps. A novel computation of fringe-field effects called symplectic scaling (SYSCA) is introduced. It exploits the advantages of Lie transformations, generating functions, and scaling properties and is extremely accurate. The computation of fringe-field maps is typically made nearly two orders of magnitude faster. (orig.)
A Dynamic Bayesian Approach to Computational Laban Shape Quality Analysis
Directory of Open Access Journals (Sweden)
Dilip Swaminathan
2009-01-01
kinesiology. LMA (especially Effort/Shape emphasizes how internal feelings and intentions govern the patterning of movement throughout the whole body. As we argue, a complex understanding of intention via LMA is necessary for human-computer interaction to become embodied in ways that resemble interaction in the physical world. We thus introduce a novel, flexible Bayesian fusion approach for identifying LMA Shape qualities from raw motion capture data in real time. The method uses a dynamic Bayesian network (DBN to fuse movement features across the body and across time and as we discuss can be readily adapted for low-cost video. It has delivered excellent performance in preliminary studies comprising improvisatory movements. Our approach has been incorporated in Response, a mixed-reality environment where users interact via natural, full-body human movement and enhance their bodily-kinesthetic awareness through immersive sound and light feedback, with applications to kinesiology training, Parkinson's patient rehabilitation, interactive dance, and many other areas.