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Sample records for computationally efficient method

  1. Computational efficiency for the surface renewal method

    Science.gov (United States)

    Kelley, Jason; Higgins, Chad

    2018-04-01

    Measuring surface fluxes using the surface renewal (SR) method requires programmatic algorithms for tabulation, algebraic calculation, and data quality control. A number of different methods have been published describing automated calibration of SR parameters. Because the SR method utilizes high-frequency (10 Hz+) measurements, some steps in the flux calculation are computationally expensive, especially when automating SR to perform many iterations of these calculations. Several new algorithms were written that perform the required calculations more efficiently and rapidly, and that tested for sensitivity to length of flux averaging period, ability to measure over a large range of lag timescales, and overall computational efficiency. These algorithms utilize signal processing techniques and algebraic simplifications that demonstrate simple modifications that dramatically improve computational efficiency. The results here complement efforts by other authors to standardize a robust and accurate computational SR method. Increased speed of computation time grants flexibility to implementing the SR method, opening new avenues for SR to be used in research, for applied monitoring, and in novel field deployments.

  2. Efficient computation method of Jacobian matrix

    International Nuclear Information System (INIS)

    Sasaki, Shinobu

    1995-05-01

    As well known, the elements of the Jacobian matrix are complex trigonometric functions of the joint angles, resulting in a matrix of staggering complexity when we write it all out in one place. This article addresses that difficulties to this subject are overcome by using velocity representation. The main point is that its recursive algorithm and computer algebra technologies allow us to derive analytical formulation with no human intervention. Particularly, it is to be noted that as compared to previous results the elements are extremely simplified throughout the effective use of frame transformations. Furthermore, in case of a spherical wrist, it is shown that the present approach is computationally most efficient. Due to such advantages, the proposed method is useful in studying kinematically peculiar properties such as singularity problems. (author)

  3. Computationally efficient methods for digital control

    NARCIS (Netherlands)

    Guerreiro Tome Antunes, D.J.; Hespanha, J.P.; Silvestre, C.J.; Kataria, N.; Brewer, F.

    2008-01-01

    The problem of designing a digital controller is considered with the novelty of explicitly taking into account the computation cost of the controller implementation. A class of controller emulation methods inspired by numerical analysis is proposed. Through various examples it is shown that these

  4. A Computationally Efficient Method for Polyphonic Pitch Estimation

    Directory of Open Access Journals (Sweden)

    Ruohua Zhou

    2009-01-01

    Full Text Available This paper presents a computationally efficient method for polyphonic pitch estimation. The method employs the Fast Resonator Time-Frequency Image (RTFI as the basic time-frequency analysis tool. The approach is composed of two main stages. First, a preliminary pitch estimation is obtained by means of a simple peak-picking procedure in the pitch energy spectrum. Such spectrum is calculated from the original RTFI energy spectrum according to harmonic grouping principles. Then the incorrect estimations are removed according to spectral irregularity and knowledge of the harmonic structures of the music notes played on commonly used music instruments. The new approach is compared with a variety of other frame-based polyphonic pitch estimation methods, and results demonstrate the high performance and computational efficiency of the approach.

  5. Efficient Numerical Methods for Stochastic Differential Equations in Computational Finance

    KAUST Repository

    Happola, Juho

    2017-09-19

    Stochastic Differential Equations (SDE) offer a rich framework to model the probabilistic evolution of the state of a system. Numerical approximation methods are typically needed in evaluating relevant Quantities of Interest arising from such models. In this dissertation, we present novel effective methods for evaluating Quantities of Interest relevant to computational finance when the state of the system is described by an SDE.

  6. Efficient Numerical Methods for Stochastic Differential Equations in Computational Finance

    KAUST Repository

    Happola, Juho

    2017-01-01

    Stochastic Differential Equations (SDE) offer a rich framework to model the probabilistic evolution of the state of a system. Numerical approximation methods are typically needed in evaluating relevant Quantities of Interest arising from such models. In this dissertation, we present novel effective methods for evaluating Quantities of Interest relevant to computational finance when the state of the system is described by an SDE.

  7. A Memory and Computation Efficient Sparse Level-Set Method

    NARCIS (Netherlands)

    Laan, Wladimir J. van der; Jalba, Andrei C.; Roerdink, Jos B.T.M.

    Since its introduction, the level set method has become the favorite technique for capturing and tracking moving interfaces, and found applications in a wide variety of scientific fields. In this paper we present efficient data structures and algorithms for tracking dynamic interfaces through the

  8. Computational methods for more fuel-efficient ship

    NARCIS (Netherlands)

    Koren, B.

    2008-01-01

    The flow of water around a ship powered by a combustion engine is a key factor in the ship's fuel consumption. The simulation of flow patterns around ship hulls is therefore an important aspect of ship design. While lengthy computations are required for such simulations, research by Jeroen Wackers

  9. Robust fault detection of linear systems using a computationally efficient set-membership method

    DEFF Research Database (Denmark)

    Tabatabaeipour, Mojtaba; Bak, Thomas

    2014-01-01

    In this paper, a computationally efficient set-membership method for robust fault detection of linear systems is proposed. The method computes an interval outer-approximation of the output of the system that is consistent with the model, the bounds on noise and disturbance, and the past measureme...... is trivially parallelizable. The method is demonstrated for fault detection of a hydraulic pitch actuator of a wind turbine. We show the effectiveness of the proposed method by comparing our results with two zonotope-based set-membership methods....

  10. A New Method of Histogram Computation for Efficient Implementation of the HOG Algorithm

    Directory of Open Access Journals (Sweden)

    Mariana-Eugenia Ilas

    2018-03-01

    Full Text Available In this paper we introduce a new histogram computation method to be used within the histogram of oriented gradients (HOG algorithm. The new method replaces the arctangent with the slope computation and the classical magnitude allocation based on interpolation with a simpler algorithm. The new method allows a more efficient implementation of HOG in general, and particularly in field-programmable gate arrays (FPGAs, by considerably reducing the area (thus increasing the level of parallelism, while maintaining very close classification accuracy compared to the original algorithm. Thus, the new method is attractive for many applications, including car detection and classification.

  11. A comparison of efficient methods for the computation of Born gluon amplitudes

    International Nuclear Information System (INIS)

    Dinsdale, Michael; Ternick, Marko; Weinzierl, Stefan

    2006-01-01

    We compare four different methods for the numerical computation of the pure gluonic amplitudes in the Born approximation. We are in particular interested in the efficiency of the various methods as the number n of the external particles increases. In addition we investigate the numerical accuracy in critical phase space regions. The methods considered are based on (i) Berends-Giele recurrence relations, (ii) scalar diagrams, (iii) MHV vertices and (iv) BCF recursion relations

  12. An efficient method for computing the absorption of solar radiation by water vapor

    Science.gov (United States)

    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.

  13. A strategy for improved computational efficiency of the method of anchored distributions

    Science.gov (United States)

    Over, Matthew William; Yang, Yarong; Chen, Xingyuan; Rubin, Yoram

    2013-06-01

    This paper proposes a strategy for improving the computational efficiency of model inversion using the method of anchored distributions (MAD) by "bundling" similar model parametrizations in the likelihood function. Inferring the likelihood function typically requires a large number of forward model (FM) simulations for each possible model parametrization; as a result, the process is quite expensive. To ease this prohibitive cost, we present an approximation for the likelihood function called bundling that relaxes the requirement for high quantities of FM simulations. This approximation redefines the conditional statement of the likelihood function as the probability of a set of similar model parametrizations "bundle" replicating field measurements, which we show is neither a model reduction nor a sampling approach to improving the computational efficiency of model inversion. To evaluate the effectiveness of these modifications, we compare the quality of predictions and computational cost of bundling relative to a baseline MAD inversion of 3-D flow and transport model parameters. Additionally, to aid understanding of the implementation we provide a tutorial for bundling in the form of a sample data set and script for the R statistical computing language. For our synthetic experiment, bundling achieved a 35% reduction in overall computational cost and had a limited negative impact on predicted probability distributions of the model parameters. Strategies for minimizing error in the bundling approximation, for enforcing similarity among the sets of model parametrizations, and for identifying convergence of the likelihood function are also presented.

  14. An efficient and general numerical method to compute steady uniform vortices

    Science.gov (United States)

    Luzzatto-Fegiz, Paolo; Williamson, Charles H. K.

    2011-07-01

    Steady uniform vortices are widely used to represent high Reynolds number flows, yet their efficient computation still presents some challenges. Existing Newton iteration methods become inefficient as the vortices develop fine-scale features; in addition, these methods cannot, in general, find solutions with specified Casimir invariants. On the other hand, available relaxation approaches are computationally inexpensive, but can fail to converge to a solution. In this paper, we overcome these limitations by introducing a new discretization, based on an inverse-velocity map, which radically increases the efficiency of Newton iteration methods. In addition, we introduce a procedure to prescribe Casimirs and remove the degeneracies in the steady vorticity equation, thus ensuring convergence for general vortex configurations. We illustrate our methodology by considering several unbounded flows involving one or two vortices. Our method enables the computation, for the first time, of steady vortices that do not exhibit any geometric symmetry. In addition, we discover that, as the limiting vortex state for each flow is approached, each family of solutions traces a clockwise spiral in a bifurcation plot consisting of a velocity-impulse diagram. By the recently introduced "IVI diagram" stability approach [Phys. Rev. Lett. 104 (2010) 044504], each turn of this spiral is associated with a loss of stability for the steady flows. Such spiral structure is suggested to be a universal feature of steady, uniform-vorticity flows.

  15. An Efficient Integer Coding and Computing Method for Multiscale Time Segment

    Directory of Open Access Journals (Sweden)

    TONG Xiaochong

    2016-12-01

    Full Text Available This article focus on the exist problem and status of current time segment coding, proposed a new set of approach about time segment coding: multi-scale time segment integer coding (MTSIC. This approach utilized the tree structure and the sort by size formed among integer, it reflected the relationship among the multi-scale time segments: order, include/contained, intersection, etc., and finally achieved an unity integer coding processing for multi-scale time. On this foundation, this research also studied the computing method for calculating the time relationships of MTSIC, to support an efficient calculation and query based on the time segment, and preliminary discussed the application method and prospect of MTSIC. The test indicated that, the implement of MTSIC is convenient and reliable, and the transformation between it and the traditional method is convenient, it has the very high efficiency in query and calculating.

  16. An efficient computational method for global sensitivity analysis and its application to tree growth modelling

    International Nuclear Information System (INIS)

    Wu, Qiong-Li; Cournède, Paul-Henry; Mathieu, Amélie

    2012-01-01

    Global sensitivity analysis has a key role to play in the design and parameterisation of functional–structural plant growth models which combine the description of plant structural development (organogenesis and geometry) and functional growth (biomass accumulation and allocation). We are particularly interested in this study in Sobol's method which decomposes the variance of the output of interest into terms due to individual parameters but also to interactions between parameters. Such information is crucial for systems with potentially high levels of non-linearity and interactions between processes, like plant growth. However, the computation of Sobol's indices relies on Monte Carlo sampling and re-sampling, whose costs can be very high, especially when model evaluation is also expensive, as for tree models. In this paper, we thus propose a new method to compute Sobol's indices inspired by Homma–Saltelli, which improves slightly their use of model evaluations, and then derive for this generic type of computational methods an estimator of the error estimation of sensitivity indices with respect to the sampling size. It allows the detailed control of the balance between accuracy and computing time. Numerical tests on a simple non-linear model are convincing and the method is finally applied to a functional–structural model of tree growth, GreenLab, whose particularity is the strong level of interaction between plant functioning and organogenesis. - Highlights: ► We study global sensitivity analysis in the context of functional–structural plant modelling. ► A new estimator based on Homma–Saltelli method is proposed to compute Sobol indices, based on a more balanced re-sampling strategy. ► The estimation accuracy of sensitivity indices for a class of Sobol's estimators can be controlled by error analysis. ► The proposed algorithm is implemented efficiently to compute Sobol indices for a complex tree growth model.

  17. Increasing the computational efficient of digital cross correlation by a vectorization method

    Science.gov (United States)

    Chang, Ching-Yuan; Ma, Chien-Ching

    2017-08-01

    This study presents a vectorization method for use in MATLAB programming aimed at increasing the computational efficiency of digital cross correlation in sound and images, resulting in a speedup of 6.387 and 36.044 times compared with performance values obtained from looped expression. This work bridges the gap between matrix operations and loop iteration, preserving flexibility and efficiency in program testing. This paper uses numerical simulation to verify the speedup of the proposed vectorization method as well as experiments to measure the quantitative transient displacement response subjected to dynamic impact loading. The experiment involved the use of a high speed camera as well as a fiber optic system to measure the transient displacement in a cantilever beam under impact from a steel ball. Experimental measurement data obtained from the two methods are in excellent agreement in both the time and frequency domain, with discrepancies of only 0.68%. Numerical and experiment results demonstrate the efficacy of the proposed vectorization method with regard to computational speed in signal processing and high precision in the correlation algorithm. We also present the source code with which to build MATLAB-executable functions on Windows as well as Linux platforms, and provide a series of examples to demonstrate the application of the proposed vectorization method.

  18. On the computational efficiency of isogeometric methods for smooth elliptic problems using direct solvers

    KAUST Repository

    Collier, Nathan; Dalcin, Lisandro; Calo, Victor M.

    2014-01-01

    SUMMARY: We compare the computational efficiency of isogeometric Galerkin and collocation methods for partial differential equations in the asymptotic regime. We define a metric to identify when numerical experiments have reached this regime. We then apply these ideas to analyze the performance of different isogeometric discretizations, which encompass C0 finite element spaces and higher-continuous spaces. We derive convergence and cost estimates in terms of the total number of degrees of freedom and then perform an asymptotic numerical comparison of the efficiency of these methods applied to an elliptic problem. These estimates are derived assuming that the underlying solution is smooth, the full Gauss quadrature is used in each non-zero knot span and the numerical solution of the discrete system is found using a direct multi-frontal solver. We conclude that under the assumptions detailed in this paper, higher-continuous basis functions provide marginal benefits.

  19. On the computational efficiency of isogeometric methods for smooth elliptic problems using direct solvers

    KAUST Repository

    Collier, Nathan

    2014-09-17

    SUMMARY: We compare the computational efficiency of isogeometric Galerkin and collocation methods for partial differential equations in the asymptotic regime. We define a metric to identify when numerical experiments have reached this regime. We then apply these ideas to analyze the performance of different isogeometric discretizations, which encompass C0 finite element spaces and higher-continuous spaces. We derive convergence and cost estimates in terms of the total number of degrees of freedom and then perform an asymptotic numerical comparison of the efficiency of these methods applied to an elliptic problem. These estimates are derived assuming that the underlying solution is smooth, the full Gauss quadrature is used in each non-zero knot span and the numerical solution of the discrete system is found using a direct multi-frontal solver. We conclude that under the assumptions detailed in this paper, higher-continuous basis functions provide marginal benefits.

  20. A-VCI: A flexible method to efficiently compute vibrational spectra

    Science.gov (United States)

    Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

    2017-06-01

    The adaptive vibrational configuration interaction algorithm has been introduced as a new method to efficiently reduce the dimension of the set of basis functions used in a vibrational configuration interaction process. It is based on the construction of nested bases for the discretization of the Hamiltonian operator according to a theoretical criterion that ensures the convergence of the method. In the present work, the Hamiltonian is written as a sum of products of operators. The purpose of this paper is to study the properties and outline the performance details of the main steps of the algorithm. New parameters have been incorporated to increase flexibility, and their influence has been thoroughly investigated. The robustness and reliability of the method are demonstrated for the computation of the vibrational spectrum up to 3000 cm-1 of a widely studied 6-atom molecule (acetonitrile). Our results are compared to the most accurate up to date computation; we also give a new reference calculation for future work on this system. The algorithm has also been applied to a more challenging 7-atom molecule (ethylene oxide). The computed spectrum up to 3200 cm-1 is the most accurate computation that exists today on such systems.

  1. A computationally efficient moment-preserving Monte Carlo electron transport method with implementation in Geant4

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, D.A., E-mail: ddixon@lanl.gov [Los Alamos National Laboratory, P.O. Box 1663, MS P365, Los Alamos, NM 87545 (United States); Prinja, A.K., E-mail: prinja@unm.edu [Department of Nuclear Engineering, MSC01 1120, 1 University of New Mexico, Albuquerque, NM 87131-0001 (United States); Franke, B.C., E-mail: bcfrank@sandia.gov [Sandia National Laboratories, Albuquerque, NM 87123 (United States)

    2015-09-15

    This paper presents the theoretical development and numerical demonstration of a moment-preserving Monte Carlo electron transport method. Foremost, a full implementation of the moment-preserving (MP) method within the Geant4 particle simulation toolkit is demonstrated. Beyond implementation details, it is shown that the MP method is a viable alternative to the condensed history (CH) method for inclusion in current and future generation transport codes through demonstration of the key features of the method including: systematically controllable accuracy, computational efficiency, mathematical robustness, and versatility. A wide variety of results common to electron transport are presented illustrating the key features of the MP method. In particular, it is possible to achieve accuracy that is statistically indistinguishable from analog Monte Carlo, while remaining up to three orders of magnitude more efficient than analog Monte Carlo simulations. Finally, it is shown that the MP method can be generalized to any applicable analog scattering DCS model by extending previous work on the MP method beyond analytical DCSs to the partial-wave (PW) elastic tabulated DCS data.

  2. Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

    Science.gov (United States)

    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.

  3. Computationally efficient method for optical simulation of solar cells and their applications

    Science.gov (United States)

    Semenikhin, I.; Zanuccoli, M.; Fiegna, C.; Vyurkov, V.; Sangiorgi, E.

    2013-01-01

    This paper presents two novel implementations of the Differential method to solve the Maxwell equations in nanostructured optoelectronic solid state devices. The first proposed implementation is based on an improved and computationally efficient T-matrix formulation that adopts multiple-precision arithmetic to tackle the numerical instability problem which arises due to evanescent modes. The second implementation adopts the iterative approach that allows to achieve low computational complexity O(N logN) or better. The proposed algorithms may work with structures with arbitrary spatial variation of the permittivity. The developed two-dimensional numerical simulator is applied to analyze the dependence of the absorption characteristics of a thin silicon slab on the morphology of the front interface and on the angle of incidence of the radiation with respect to the device surface.

  4. Efficient quantum-classical method for computing thermal rate constant of recombination: application to ozone formation.

    Science.gov (United States)

    Ivanov, Mikhail V; Babikov, Dmitri

    2012-05-14

    Efficient method is proposed for computing thermal rate constant of recombination reaction that proceeds according to the energy transfer mechanism, when an energized molecule is formed from reactants first, and is stabilized later by collision with quencher. The mixed quantum-classical theory for the collisional energy transfer and the ro-vibrational energy flow [M. Ivanov and D. Babikov, J. Chem. Phys. 134, 144107 (2011)] is employed to treat the dynamics of molecule + quencher collision. Efficiency is achieved by sampling simultaneously (i) the thermal collision energy, (ii) the impact parameter, and (iii) the incident direction of quencher, as well as (iv) the rotational state of energized molecule. This approach is applied to calculate third-order rate constant of the recombination reaction that forms the (16)O(18)O(16)O isotopomer of ozone. Comparison of the predicted rate vs. experimental result is presented.

  5. Efficient method for computing the maximum-likelihood quantum state from measurements with additive Gaussian noise.

    Science.gov (United States)

    Smolin, John A; Gambetta, Jay M; Smith, Graeme

    2012-02-17

    We provide an efficient method for computing the maximum-likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcomes in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d(4)) for the basis change plus O(d(3)) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d(3)) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

  6. A computationally efficient method for full-core conjugate heat transfer modeling of sodium fast reactors

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Rui, E-mail: rhu@anl.gov; Yu, Yiqi

    2016-11-15

    Highlights: • Developed a computationally efficient method for full-core conjugate heat transfer modeling of sodium fast reactors. • Applied fully-coupled JFNK solution scheme to avoid the operator-splitting errors. • The accuracy and efficiency of the method is confirmed with a 7-assembly test problem. • The effects of different spatial discretization schemes are investigated and compared to the RANS-based CFD simulations. - Abstract: For efficient and accurate temperature predictions of sodium fast reactor structures, a 3-D full-core conjugate heat transfer modeling capability is developed for an advanced system analysis tool, SAM. The hexagon lattice core is modeled with 1-D parallel channels representing the subassembly flow, and 2-D duct walls and inter-assembly gaps. The six sides of the hexagon duct wall and near-wall coolant region are modeled separately to account for different temperatures and heat transfer between coolant flow and each side of the duct wall. The Jacobian Free Newton Krylov (JFNK) solution method is applied to solve the fluid and solid field simultaneously in a fully coupled fashion. The 3-D full-core conjugate heat transfer modeling capability in SAM has been demonstrated by a verification test problem with 7 fuel assemblies in a hexagon lattice layout. Additionally, the SAM simulation results are compared with RANS-based CFD simulations. Very good agreements have been achieved between the results of the two approaches.

  7. Efficient computation of argumentation semantics

    CERN Document Server

    Liao, Beishui

    2013-01-01

    Efficient Computation of Argumentation Semantics addresses argumentation semantics and systems, introducing readers to cutting-edge decomposition methods that drive increasingly efficient logic computation in AI and intelligent systems. Such complex and distributed systems are increasingly used in the automation and transportation systems field, and particularly autonomous systems, as well as more generic intelligent computation research. The Series in Intelligent Systems publishes titles that cover state-of-the-art knowledge and the latest advances in research and development in intelligen

  8. Efficient computation of hashes

    International Nuclear Information System (INIS)

    Lopes, Raul H C; Franqueira, Virginia N L; Hobson, Peter R

    2014-01-01

    The sequential computation of hashes at the core of many distributed storage systems and found, for example, in grid services can hinder efficiency in service quality and even pose security challenges that can only be addressed by the use of parallel hash tree modes. The main contributions of this paper are, first, the identification of several efficiency and security challenges posed by the use of sequential hash computation based on the Merkle-Damgard engine. In addition, alternatives for the parallel computation of hash trees are discussed, and a prototype for a new parallel implementation of the Keccak function, the SHA-3 winner, is introduced.

  9. Efficient method for computing the electronic transport properties of a multiterminal system

    Science.gov (United States)

    Lima, Leandro R. F.; Dusko, Amintor; Lewenkopf, Caio

    2018-04-01

    We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-Büttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the standard two-probe recursive Green's function method. We apply the method to compute the longitudinal and Hall resistances of a disordered graphene sample, a system of current interest. We show that the performance and accuracy of our method compares very well with other state-of-the-art schemes.

  10. A systematic and efficient method to compute multi-loop master integrals

    Directory of Open Access Journals (Sweden)

    Xiao Liu

    2018-04-01

    Full Text Available We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

  11. A systematic and efficient method to compute multi-loop master integrals

    Science.gov (United States)

    Liu, Xiao; Ma, Yan-Qing; Wang, Chen-Yu

    2018-04-01

    We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

  12. A surface capturing method for the efficient computation of steady water waves

    NARCIS (Netherlands)

    Wackers, J.; Koren, B.

    2008-01-01

    A surface capturing method is developed for the computation of steady water–air flow with gravity. Fluxes are based on artificial compressibility and the method is solved with a multigrid technique and line Gauss–Seidel smoother. A test on a channel flow with a bottom bump shows the accuracy of the

  13. Efficient computational methods for electromagnetic imaging with applications to 3D magnetotellurics

    Science.gov (United States)

    Kordy, Michal Adam

    The motivation for this work is the forward and inverse problem for magnetotellurics, a frequency domain electromagnetic remote-sensing geophysical method used in mineral, geothermal, and groundwater exploration. The dissertation consists of four papers. In the first paper, we prove the existence and uniqueness of a representation of any vector field in H(curl) by a vector lying in H(curl) and H(div). It allows us to represent electric or magnetic fields by another vector field, for which nodal finite element approximation may be used in the case of non-constant electromagnetic properties. With this approach, the system matrix does not become ill-posed for low-frequency. In the second paper, we consider hexahedral finite element approximation of an electric field for the magnetotelluric forward problem. The near-null space of the system matrix for low frequencies makes the numerical solution unstable in the air. We show that the proper solution may obtained by applying a correction on the null space of the curl. It is done by solving a Poisson equation using discrete Helmholtz decomposition. We parallelize the forward code on multicore workstation with large RAM. In the next paper, we use the forward code in the inversion. Regularization of the inversion is done by using the second norm of the logarithm of conductivity. The data space Gauss-Newton approach allows for significant savings in memory and computational time. We show the efficiency of the method by considering a number of synthetic inversions and we apply it to real data collected in Cascade Mountains. The last paper considers a cross-frequency interpolation of the forward response as well as the Jacobian. We consider Pade approximation through model order reduction and rational Krylov subspace. The interpolating frequencies are chosen adaptively in order to minimize the maximum error of interpolation. Two error indicator functions are compared. We prove a theorem of almost always lucky failure in the

  14. An efficient computational method for a stochastic dynamic lot-sizing problem under service-level constraints

    NARCIS (Netherlands)

    Tarim, S.A.; Ozen, U.; Dogru, M.K.; Rossi, R.

    2011-01-01

    We provide an efficient computational approach to solve the mixed integer programming (MIP) model developed by Tarim and Kingsman [8] for solving a stochastic lot-sizing problem with service level constraints under the static–dynamic uncertainty strategy. The effectiveness of the proposed method

  15. An efficient computer based wavelets approximation method to solve Fuzzy boundary value differential equations

    Science.gov (United States)

    Alam Khan, Najeeb; Razzaq, Oyoon Abdul

    2016-03-01

    In the present work a wavelets approximation method is employed to solve fuzzy boundary value differential equations (FBVDEs). Essentially, a truncated Legendre wavelets series together with the Legendre wavelets operational matrix of derivative are utilized to convert FB- VDE into a simple computational problem by reducing it into a system of fuzzy algebraic linear equations. The capability of scheme is investigated on second order FB- VDE considered under generalized H-differentiability. Solutions are represented graphically showing competency and accuracy of this method.

  16. GATE: Improving the computational efficiency

    International Nuclear Information System (INIS)

    Staelens, S.; De Beenhouwer, J.; Kruecker, D.; Maigne, L.; Rannou, F.; Ferrer, L.; D'Asseler, Y.; Buvat, I.; Lemahieu, I.

    2006-01-01

    GATE is a software dedicated to Monte Carlo simulations in Single Photon Emission Computed Tomography (SPECT) and Positron Emission Tomography (PET). An important disadvantage of those simulations is the fundamental burden of computation time. This manuscript describes three different techniques in order to improve the efficiency of those simulations. Firstly, the implementation of variance reduction techniques (VRTs), more specifically the incorporation of geometrical importance sampling, is discussed. After this, the newly designed cluster version of the GATE software is described. The experiments have shown that GATE simulations scale very well on a cluster of homogeneous computers. Finally, an elaboration on the deployment of GATE on the Enabling Grids for E-Science in Europe (EGEE) grid will conclude the description of efficiency enhancement efforts. The three aforementioned methods improve the efficiency of GATE to a large extent and make realistic patient-specific overnight Monte Carlo simulations achievable

  17. METHODS FOR IMPROVING AVAILABILITY AND EFFICIENCY OF COMPUTER INFRASTRUCTURE IN SMART CITIES

    Directory of Open Access Journals (Sweden)

    Jerzy Balicki

    2017-09-01

    Full Text Available This paper discusses methods for increasing the availability and efficiency of information infrastructure in smart cities. Two criteria have been formulated to assign some key resources in smart city system. The process of finding some compromise solutions from Pareto-optimal solutions has been illustrated. Metaheuristics of collective intelligence, including particle swarm optimization PSO, ant colony optimization ACO, algorithm of bee colony ABC, and differential evolution DE have been described due to smart city infrastructure improving. Other application of above metaheuristics in smart city have been also presented.

  18. An efficient and accurate method for computation of energy release rates in beam structures with longitudinal cracks

    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....

  19. On stochastic error and computational efficiency of the Markov Chain Monte Carlo method

    KAUST Repository

    Li, Jun

    2014-01-01

    In Markov Chain Monte Carlo (MCMC) simulations, thermal equilibria quantities are estimated by ensemble average over a sample set containing a large number of correlated samples. These samples are selected in accordance with the probability distribution function, known from the partition function of equilibrium state. As the stochastic error of the simulation results is significant, it is desirable to understand the variance of the estimation by ensemble average, which depends on the sample size (i.e., the total number of samples in the set) and the sampling interval (i.e., cycle number between two consecutive samples). Although large sample sizes reduce the variance, they increase the computational cost of the simulation. For a given CPU time, the sample size can be reduced greatly by increasing the sampling interval, while having the corresponding increase in variance be negligible if the original sampling interval is very small. In this work, we report a few general rules that relate the variance with the sample size and the sampling interval. These results are observed and confirmed numerically. These variance rules are derived for theMCMCmethod but are also valid for the correlated samples obtained using other Monte Carlo methods. The main contribution of this work includes the theoretical proof of these numerical observations and the set of assumptions that lead to them. © 2014 Global-Science Press.

  20. A backward Monte Carlo method for efficient computation of runaway probabilities in runaway electron simulation

    Science.gov (United States)

    Zhang, Guannan; Del-Castillo-Negrete, Diego

    2017-10-01

    Kinetic descriptions of RE are usually based on the bounced-averaged Fokker-Planck model that determines the PDFs of RE. Despite of the simplification involved, the Fokker-Planck equation can rarely be solved analytically and direct numerical approaches (e.g., continuum and particle-based Monte Carlo (MC)) can be time consuming specially in the computation of asymptotic-type observable including the runaway probability, the slowing-down and runaway mean times, and the energy limit probability. Here we present a novel backward MC approach to these problems based on backward stochastic differential equations (BSDEs). The BSDE model can simultaneously describe the PDF of RE and the runaway probabilities by means of the well-known Feynman-Kac theory. The key ingredient of the backward MC algorithm is to place all the particles in a runaway state and simulate them backward from the terminal time to the initial time. As such, our approach can provide much faster convergence than the brute-force MC methods, which can significantly reduce the number of particles required to achieve a prescribed accuracy. Moreover, our algorithm can be parallelized as easy as the direct MC code, which paves the way for conducting large-scale RE simulation. This work is supported by DOE FES and ASCR under the Contract Numbers ERKJ320 and ERAT377.

  1. A Simple and Efficient Numerical Method for Computing the Dynamics of Rotating Bose--Einstein Condensates via Rotating Lagrangian Coordinates

    KAUST Repository

    Bao, Weizhu

    2013-01-01

    We propose a simple, efficient, and accurate numerical method for simulating the dynamics of rotating Bose-Einstein condensates (BECs) in a rotational frame with or without longrange dipole-dipole interaction (DDI). We begin with the three-dimensional (3D) Gross-Pitaevskii equation (GPE) with an angular momentum rotation term and/or long-range DDI, state the twodimensional (2D) GPE obtained from the 3D GPE via dimension reduction under anisotropic external potential, and review some dynamical laws related to the 2D and 3D GPEs. By introducing a rotating Lagrangian coordinate system, the original GPEs are reformulated to GPEs without the angular momentum rotation, which is replaced by a time-dependent potential in the new coordinate system. We then cast the conserved quantities and dynamical laws in the new rotating Lagrangian coordinates. Based on the new formulation of the GPE for rotating BECs in the rotating Lagrangian coordinates, a time-splitting spectral method is presented for computing the dynamics of rotating BECs. The new numerical method is explicit, simple to implement, unconditionally stable, and very efficient in computation. It is spectral-order accurate in space and second-order accurate in time and conserves the mass on the discrete level. We compare our method with some representative methods in the literature to demonstrate its efficiency and accuracy. In addition, the numerical method is applied to test the dynamical laws of rotating BECs such as the dynamics of condensate width, angular momentum expectation, and center of mass, and to investigate numerically the dynamics and interaction of quantized vortex lattices in rotating BECs without or with the long-range DDI.Copyright © by SIAM.

  2. An Energy Efficient Neuromorphic Computing System Using Real Time Sensing Method

    DEFF Research Database (Denmark)

    Farkhani, Hooman; Tohidi, Mohammad; Farkhani, Sadaf

    2017-01-01

    In spintronic-based neuromorphic computing systems (NCS), the switching of magnetic moment in a magnetic tunnel junction (MTJ) is used to mimic neuron firing. However, the stochastic switching behavior of the MTJ and process variations effect leads to extra stimulation time. This leads to extra...... energy consumption and delay of such NCSs. In this paper, a new real-time sensing (RTS) circuit is proposed to track the MTJ state and terminate stimulation phase immediately after MTJ switching. This leads to significant degradation in energy consumption and delay of NCS. The simulation results using...... a 65-nm CMOS technology and a 40-nm MTJ technology confirm that the energy consumption of a RTS-based NCS is improved by 50% in comparison with a typical NCS. Moreover, utilizing RTS circuit improves the overall speed of an NCS by 2.75x....

  3. Efficient Secure Multiparty Subset Computation

    Directory of Open Access Journals (Sweden)

    Sufang Zhou

    2017-01-01

    Full Text Available Secure subset problem is important in secure multiparty computation, which is a vital field in cryptography. Most of the existing protocols for this problem can only keep the elements of one set private, while leaking the elements of the other set. In other words, they cannot solve the secure subset problem perfectly. While a few studies have addressed actual secure subsets, these protocols were mainly based on the oblivious polynomial evaluations with inefficient computation. In this study, we first design an efficient secure subset protocol for sets whose elements are drawn from a known set based on a new encoding method and homomorphic encryption scheme. If the elements of the sets are taken from a large domain, the existing protocol is inefficient. Using the Bloom filter and homomorphic encryption scheme, we further present an efficient protocol with linear computational complexity in the cardinality of the large set, and this is considered to be practical for inputs consisting of a large number of data. However, the second protocol that we design may yield a false positive. This probability can be rapidly decreased by reexecuting the protocol with different hash functions. Furthermore, we present the experimental performance analyses of these protocols.

  4. DDR: Efficient computational method to predict drug–target interactions using graph mining and machine learning approaches

    KAUST Repository

    Olayan, Rawan S.

    2017-11-23

    Motivation Finding computationally drug-target interactions (DTIs) is a convenient strategy to identify new DTIs at low cost with reasonable accuracy. However, the current DTI prediction methods suffer the high false positive prediction rate. Results We developed DDR, a novel method that improves the DTI prediction accuracy. DDR is based on the use of a heterogeneous graph that contains known DTIs with multiple similarities between drugs and multiple similarities between target proteins. DDR applies non-linear similarity fusion method to combine different similarities. Before fusion, DDR performs a pre-processing step where a subset of similarities is selected in a heuristic process to obtain an optimized combination of similarities. Then, DDR applies a random forest model using different graph-based features extracted from the DTI heterogeneous graph. Using five repeats of 10-fold cross-validation, three testing setups, and the weighted average of area under the precision-recall curve (AUPR) scores, we show that DDR significantly reduces the AUPR score error relative to the next best start-of-the-art method for predicting DTIs by 34% when the drugs are new, by 23% when targets are new, and by 34% when the drugs and the targets are known but not all DTIs between them are not known. Using independent sources of evidence, we verify as correct 22 out of the top 25 DDR novel predictions. This suggests that DDR can be used as an efficient method to identify correct DTIs.

  5. Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

    Science.gov (United States)

    Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

    2015-06-09

    The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

  6. An efficient finite differences method for the computation of compressible, subsonic, unsteady flows past airfoils and panels

    Science.gov (United States)

    Colera, Manuel; Pérez-Saborid, Miguel

    2017-09-01

    A finite differences scheme is proposed in this work to compute in the time domain the compressible, subsonic, unsteady flow past an aerodynamic airfoil using the linearized potential theory. It improves and extends the original method proposed in this journal by Hariharan, Ping and Scott [1] by considering: (i) a non-uniform mesh, (ii) an implicit time integration algorithm, (iii) a vectorized implementation and (iv) the coupled airfoil dynamics and fluid dynamic loads. First, we have formulated the method for cases in which the airfoil motion is given. The scheme has been tested on well known problems in unsteady aerodynamics -such as the response to a sudden change of the angle of attack and to a harmonic motion of the airfoil- and has been proved to be more accurate and efficient than other finite differences and vortex-lattice methods found in the literature. Secondly, we have coupled our method to the equations governing the airfoil dynamics in order to numerically solve problems where the airfoil motion is unknown a priori as happens, for example, in the cases of the flutter and the divergence of a typical section of a wing or of a flexible panel. Apparently, this is the first self-consistent and easy-to-implement numerical analysis in the time domain of the compressible, linearized coupled dynamics of the (generally flexible) airfoil-fluid system carried out in the literature. The results for the particular case of a rigid airfoil show excellent agreement with those reported by other authors, whereas those obtained for the case of a cantilevered flexible airfoil in compressible flow seem to be original or, at least, not well-known.

  7. Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

    Science.gov (United States)

    DeGregorio, Nicole; Iyengar, Srinivasan S

    2018-01-09

    We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

  8. Clustering based gene expression feature selection method: A computational approach to enrich the classifier efficiency of differentially expressed genes

    KAUST Repository

    Abusamra, Heba; Bajic, Vladimir B.

    2016-01-01

    decrease the computational time and cost, but also improve the classification performance. Among different approaches of feature selection methods, however most of them suffer from several problems such as lack of robustness, validation issues etc. Here, we

  9. A Simple and Efficient Numerical Method for Computing the Dynamics of Rotating Bose--Einstein Condensates via Rotating Lagrangian Coordinates

    KAUST Repository

    Bao, Weizhu; Marahrens, Daniel; Tang, Qinglin; Zhang, Yanzhi

    2013-01-01

    We propose a simple, efficient, and accurate numerical method for simulating the dynamics of rotating Bose-Einstein condensates (BECs) in a rotational frame with or without longrange dipole-dipole interaction (DDI). We begin with the three

  10. A computationally efficient approach for template matching-based ...

    Indian Academy of Sciences (India)

    In this paper, a new computationally efficient image registration method is ...... the proposed method requires less computational time as compared to traditional methods. ... Zitová B and Flusser J 2003 Image registration methods: A survey.

  11. Efficient computation of Laguerre polynomials

    NARCIS (Netherlands)

    A. Gil (Amparo); J. Segura (Javier); N.M. Temme (Nico)

    2017-01-01

    textabstractAn efficient algorithm and a Fortran 90 module (LaguerrePol) for computing Laguerre polynomials . Ln(α)(z) are presented. The standard three-term recurrence relation satisfied by the polynomials and different types of asymptotic expansions valid for . n large and . α small, are used

  12. Unified treatment of microscopic boundary conditions and efficient algorithms for estimating tangent operators of the homogenized behavior in the computational homogenization method

    Science.gov (United States)

    Nguyen, Van-Dung; Wu, Ling; Noels, Ludovic

    2017-03-01

    This work provides a unified treatment of arbitrary kinds of microscopic boundary conditions usually considered in the multi-scale computational homogenization method for nonlinear multi-physics problems. An efficient procedure is developed to enforce the multi-point linear constraints arising from the microscopic boundary condition either by the direct constraint elimination or by the Lagrange multiplier elimination methods. The macroscopic tangent operators are computed in an efficient way from a multiple right hand sides linear system whose left hand side matrix is the stiffness matrix of the microscopic linearized system at the converged solution. The number of vectors at the right hand side is equal to the number of the macroscopic kinematic variables used to formulate the microscopic boundary condition. As the resolution of the microscopic linearized system often follows a direct factorization procedure, the computation of the macroscopic tangent operators is then performed using this factorized matrix at a reduced computational time.

  13. Offloading Method for Efficient Use of Local Computational Resources in Mobile Location-Based Services Using Clouds

    Directory of Open Access Journals (Sweden)

    Yunsik Son

    2017-01-01

    Full Text Available With the development of mobile computing, location-based services (LBSs have been developed to provide services based on location information through communication networks or the global positioning system. In recent years, LBSs have evolved into smart LBSs, which provide many services using only location information. These include basic services such as traffic, logistic, and entertainment services. However, a smart LBS may require relatively complicated operations, which may not be effectively performed by the mobile computing system. To overcome this problem, a computation offloading technique can be used to perform certain tasks on mobile devices in cloud and fog environments. Furthermore, mobile platforms exist that provide smart LBSs. The smart cross-platform is a solution based on a virtual machine (VM that enables compatibility of content in various mobile and smart device environments. However, owing to the nature of the VM-based execution method, the execution performance is degraded compared to that of the native execution method. In this paper, we introduce a computation offloading technique that utilizes fog computing to improve the performance of VMs running on mobile devices. We applied the proposed method to smart devices with a smart VM (SVM and HTML5 SVM to compare their performances.

  14. An Efficient Numerical Method for Computing Synthetic Seismograms for a Layered Half-space with Sources and Receivers at Close or Same Depths

    Science.gov (United States)

    Zhang, H.-m.; Chen, X.-f.; Chang, S.

    - It is difficult to compute synthetic seismograms for a layered half-space with sources and receivers at close to or the same depths using the generalized R/T coefficient method (Kennett, 1983; Luco and Apsel, 1983; Yao and Harkrider, 1983; Chen, 1993), because the wavenumber integration converges very slowly. A semi-analytic method for accelerating the convergence, in which part of the integration is implemented analytically, was adopted by some authors (Apsel and Luco, 1983; Hisada, 1994, 1995). In this study, based on the principle of the Repeated Averaging Method (Dahlquist and Björck, 1974; Chang, 1988), we propose an alternative, efficient, numerical method, the peak-trough averaging method (PTAM), to overcome the difficulty mentioned above. Compared with the semi-analytic method, PTAM is not only much simpler mathematically and easier to implement in practice, but also more efficient. Using numerical examples, we illustrate the validity, accuracy and efficiency of the new method.

  15. DDR: Efficient computational method to predict drug–target interactions using graph mining and machine learning approaches

    KAUST Repository

    Olayan, Rawan S.; Ashoor, Haitham; Bajic, Vladimir B.

    2017-01-01

    but not all DTIs between them are not known. Using independent sources of evidence, we verify as correct 22 out of the top 25 DDR novel predictions. This suggests that DDR can be used as an efficient method to identify correct DTIs.

  16. Essential numerical computer methods

    CERN Document Server

    Johnson, Michael L

    2010-01-01

    The use of computers and computational methods has become ubiquitous in biological and biomedical research. During the last 2 decades most basic algorithms have not changed, but what has is the huge increase in computer speed and ease of use, along with the corresponding orders of magnitude decrease in cost. A general perception exists that the only applications of computers and computer methods in biological and biomedical research are either basic statistical analysis or the searching of DNA sequence data bases. While these are important applications they only scratch the surface of the current and potential applications of computers and computer methods in biomedical research. The various chapters within this volume include a wide variety of applications that extend far beyond this limited perception. As part of the Reliable Lab Solutions series, Essential Numerical Computer Methods brings together chapters from volumes 210, 240, 321, 383, 384, 454, and 467 of Methods in Enzymology. These chapters provide ...

  17. Efficiency Analysis of the access method with the cascading Bloom filter to the data warehouse on the parallel computing platform

    Science.gov (United States)

    Grigoriev, Yu A.; Proletarskaya, V. A.; Ermakov, E. Yu; Ermakov, O. Yu

    2017-10-01

    A new method was developed with a cascading Bloom filter (CBF) for executing SQL queries in the Apache Spark parallel computing environment. It includes the representation of the original query in the form of several subqueries, the development of a connection graph and the transformation of subqueries, the definition of connections where it is necessary to use Bloom filters, the representation of the graph in terms of Spark. On the example of the query Q3 of the TPC-H test, full-scale experiments were carried out, which confirmed the effectiveness of the developed method.

  18. Evaluating the efficiency of divestiture policy in promoting competitiveness using an analytical method and agent-based computational economics

    Energy Technology Data Exchange (ETDEWEB)

    Rahimiyan, Morteza; Rajabi Mashhadi, Habib [Department of Electrical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad (Iran)

    2010-03-15

    Choosing a desired policy for divestiture of dominant firms' generation assets has been a challenging task and open question for regulatory authority. To deal with this problem, in this paper, an analytical method and agent-based computational economics (ACE) approach are used for ex-ante analysis of divestiture policy in reducing market power. The analytical method is applied to solve a designed concentration boundary problem, even for situations where the cost data of generators are unknown. The concentration boundary problem is the problem of minimizing or maximizing market concentration subject to operation constraints of the electricity market. It is proved here that the market concentration corresponding to operation condition is certainly viable in an interval calculated by the analytical method. For situations where the cost function of generators is available, the ACE is used to model the electricity market. In ACE, each power producer's profit-maximization problem is solved by the computational approach of Q-learning. The power producer using the Q-learning method learns from past experiences to implicitly identify the market power, and find desired response in competing with the rivals. Both methods are applied in a multi-area power system and effects of different divestiture policies on market behavior are analyzed. (author)

  19. Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods

    Science.gov (United States)

    Antoine, Xavier; Levitt, Antoine; Tang, Qinglin

    2017-08-01

    We propose a preconditioned nonlinear conjugate gradient method coupled with a spectral spatial discretization scheme for computing the ground states (GS) of rotating Bose-Einstein condensates (BEC), modeled by the Gross-Pitaevskii Equation (GPE). We first start by reviewing the classical gradient flow (also known as imaginary time (IMT)) method which considers the problem from the PDE standpoint, leading to numerically solve a dissipative equation. Based on this IMT equation, we analyze the forward Euler (FE), Crank-Nicolson (CN) and the classical backward Euler (BE) schemes for linear problems and recognize classical power iterations, allowing us to derive convergence rates. By considering the alternative point of view of minimization problems, we propose the preconditioned steepest descent (PSD) and conjugate gradient (PCG) methods for the GS computation of the GPE. We investigate the choice of the preconditioner, which plays a key role in the acceleration of the convergence process. The performance of the new algorithms is tested in 1D, 2D and 3D. We conclude that the PCG method outperforms all the previous methods, most particularly for 2D and 3D fast rotating BECs, while being simple to implement.

  20. Evaluating the efficiency of divestiture policy in promoting competitiveness using an analytical method and agent-based computational economics

    International Nuclear Information System (INIS)

    Rahimiyan, Morteza; Rajabi Mashhadi, Habib

    2010-01-01

    Choosing a desired policy for divestiture of dominant firms' generation assets has been a challenging task and open question for regulatory authority. To deal with this problem, in this paper, an analytical method and agent-based computational economics (ACE) approach are used for ex-ante analysis of divestiture policy in reducing market power. The analytical method is applied to solve a designed concentration boundary problem, even for situations where the cost data of generators are unknown. The concentration boundary problem is the problem of minimizing or maximizing market concentration subject to operation constraints of the electricity market. It is proved here that the market concentration corresponding to operation condition is certainly viable in an interval calculated by the analytical method. For situations where the cost function of generators is available, the ACE is used to model the electricity market. In ACE, each power producer's profit-maximization problem is solved by the computational approach of Q-learning. The power producer using the Q-learning method learns from past experiences to implicitly identify the market power, and find desired response in competing with the rivals. Both methods are applied in a multi-area power system and effects of different divestiture policies on market behavior are analyzed.

  1. Efficient sparse matrix-matrix multiplication for computing periodic responses by shooting method on Intel Xeon Phi

    Science.gov (United States)

    Stoykov, S.; Atanassov, E.; Margenov, S.

    2016-10-01

    Many of the scientific applications involve sparse or dense matrix operations, such as solving linear systems, matrix-matrix products, eigensolvers, etc. In what concerns structural nonlinear dynamics, the computations of periodic responses and the determination of stability of the solution are of primary interest. Shooting method iswidely used for obtaining periodic responses of nonlinear systems. The method involves simultaneously operations with sparse and dense matrices. One of the computationally expensive operations in the method is multiplication of sparse by dense matrices. In the current work, a new algorithm for sparse matrix by dense matrix products is presented. The algorithm takes into account the structure of the sparse matrix, which is obtained by space discretization of the nonlinear Mindlin's plate equation of motion by the finite element method. The algorithm is developed to use the vector engine of Intel Xeon Phi coprocessors. It is compared with the standard sparse matrix by dense matrix algorithm and the one developed by Intel MKL and it is shown that by considering the properties of the sparse matrix better algorithms can be developed.

  2. Computational Methods in Plasma Physics

    CERN Document Server

    Jardin, Stephen

    2010-01-01

    Assuming no prior knowledge of plasma physics or numerical methods, Computational Methods in Plasma Physics covers the computational mathematics and techniques needed to simulate magnetically confined plasmas in modern magnetic fusion experiments and future magnetic fusion reactors. Largely self-contained, the text presents the basic concepts necessary for the numerical solution of partial differential equations. Along with discussing numerical stability and accuracy, the author explores many of the algorithms used today in enough depth so that readers can analyze their stability, efficiency,

  3. Clustering based gene expression feature selection method: A computational approach to enrich the classifier efficiency of differentially expressed genes

    KAUST Repository

    Abusamra, Heba

    2016-07-20

    The native nature of high dimension low sample size of gene expression data make the classification task more challenging. Therefore, feature (gene) selection become an apparent need. Selecting a meaningful and relevant genes for classifier not only decrease the computational time and cost, but also improve the classification performance. Among different approaches of feature selection methods, however most of them suffer from several problems such as lack of robustness, validation issues etc. Here, we present a new feature selection technique that takes advantage of clustering both samples and genes. Materials and methods We used leukemia gene expression dataset [1]. The effectiveness of the selected features were evaluated by four different classification methods; support vector machines, k-nearest neighbor, random forest, and linear discriminate analysis. The method evaluate the importance and relevance of each gene cluster by summing the expression level for each gene belongs to this cluster. The gene cluster consider important, if it satisfies conditions depend on thresholds and percentage otherwise eliminated. Results Initial analysis identified 7120 differentially expressed genes of leukemia (Fig. 15a), after applying our feature selection methodology we end up with specific 1117 genes discriminating two classes of leukemia (Fig. 15b). Further applying the same method with more stringent higher positive and lower negative threshold condition, number reduced to 58 genes have be tested to evaluate the effectiveness of the method (Fig. 15c). The results of the four classification methods are summarized in Table 11. Conclusions The feature selection method gave good results with minimum classification error. Our heat-map result shows distinct pattern of refines genes discriminating between two classes of leukemia.

  4. Efficient computation of spaced seeds

    Directory of Open Access Journals (Sweden)

    Ilie Silvana

    2012-02-01

    Full Text Available Abstract Background The most frequently used tools in bioinformatics are those searching for similarities, or local alignments, between biological sequences. Since the exact dynamic programming algorithm is quadratic, linear-time heuristics such as BLAST are used. Spaced seeds are much more sensitive than the consecutive seed of BLAST and using several seeds represents the current state of the art in approximate search for biological sequences. The most important aspect is computing highly sensitive seeds. Since the problem seems hard, heuristic algorithms are used. The leading software in the common Bernoulli model is the SpEED program. Findings SpEED uses a hill climbing method based on the overlap complexity heuristic. We propose a new algorithm for this heuristic that improves its speed by over one order of magnitude. We use the new implementation to compute improved seeds for several software programs. We compute as well multiple seeds of the same weight as MegaBLAST, that greatly improve its sensitivity. Conclusion Multiple spaced seeds are being successfully used in bioinformatics software programs. Enabling researchers to compute very fast high quality seeds will help expanding the range of their applications.

  5. A computationally efficient P_1 radiation model for modern combustion systems utilizing pre-conditioned conjugate gradient methods

    International Nuclear Information System (INIS)

    Krishnamoorthy, Gautham

    2017-01-01

    Highlights: • The P_1 radiation model was interfaced with high performance linear solvers. • Pre-conditioned conjugate gradient (PC CG) method improved convergence by 50% • PC CG was more than 30 times faster than classical iterative methods. • The time to solution scaled linearly with increase in problem size employing PC CG. • Employing WSGGM with P_1 model compared reasonably well against benchmark data. - Abstract: The iterative convergence of the P_1 radiation model can be slow in optically thin scenarios when employing classical iterative methods. In order to remedy this shortcoming, an in-house P_1 radiation model was interfaced with high performance, scalable, linear solver libraries. Next, the accuracies of P_1 radiation model calculations was assessed by comparing its predictions against discrete ordinates (DO) model calculations for prototypical problems representative of modern combustion systems. Corresponding benchmark results were also included for comparison. Utilizing Pre-Conditioners (PC) to the Conjugate Gradients (CG) method, the convergence time of the P_1 radiation model reduced by a factor of 30 for modest problem sizes and a factor of 70 for larger sized problems when compared against classical Gauss Seidel sweeps. Further, PC provided 50% computational savings compared to employing CG in a standalone mode. The P_1 model calculation times were about 25–30% of the DO model calculation time. The time to solution also scaled linearly with an increase in problem size. The weighted sum of gray gases model employed in this study in conjunction with the P_1 model provided good agreement against benchmark data with L_2 error norms (defined relative to corresponding DO calculations) improving when isotropic intensities were prevalent.

  6. Improving the Efficiency of the Nodal Integral Method With the Portable, Extensible Tool-kit for Scientific Computation

    International Nuclear Information System (INIS)

    Toreja, Allen J.; Uddin, Rizwan

    2002-01-01

    An existing implementation of the nodal integral method for the time-dependent convection-diffusion equation is modified to incorporate various PETSc (Portable, Extensible Tool-kit for Scientific Computation) solver and pre-conditioner routines. In the modified implementation, the default iterative Gauss-Seidel solver is replaced with one of the following PETSc iterative linear solver routines: Generalized Minimal Residuals, Stabilized Bi-conjugate Gradients, or Transpose-Free Quasi-Minimal Residuals. For each solver, a Jacobi or a Successive Over-Relaxation pre-conditioner is used. Two sample problems, one with a low Peclet number and one with a high Peclet number, are solved using the new implementation. In all the cases tested, the new implementation with the PETSc solver routines outperforms the original Gauss-Seidel implementation. Moreover, the PETSc Stabilized Bi-conjugate Gradients routine performs the best on the two sample problems leading to CPU times that are less than half the CPU times of the original implementation. (authors)

  7. Computationally efficient dynamic modeling of robot manipulators with multiple flexible-links using acceleration-based discrete time transfer matrix method

    DEFF Research Database (Denmark)

    Zhang, Xuping; Sørensen, Rasmus; RahbekIversen, Mathias

    2018-01-01

    This paper presents a novel and computationally efficient modeling method for the dynamics of flexible-link robot manipulators. In this method, a robot manipulator is decomposed into components/elements. The component/element dynamics is established using Newton–Euler equations, and then is linea......This paper presents a novel and computationally efficient modeling method for the dynamics of flexible-link robot manipulators. In this method, a robot manipulator is decomposed into components/elements. The component/element dynamics is established using Newton–Euler equations......, and then is linearized based on the acceleration-based state vector. The transfer matrices for each type of components/elements are developed, and used to establish the system equations of a flexible robot manipulator by concatenating the state vector from the base to the end-effector. With this strategy, the size...... manipulators, and only involves calculating and transferring component/element dynamic equations that have small size. The numerical simulations and experimental testing of flexible-link manipulators are conducted to validate the proposed methodologies....

  8. Power-efficient computer architectures recent advances

    CERN Document Server

    Själander, Magnus; Kaxiras, Stefanos

    2014-01-01

    As Moore's Law and Dennard scaling trends have slowed, the challenges of building high-performance computer architectures while maintaining acceptable power efficiency levels have heightened. Over the past ten years, architecture techniques for power efficiency have shifted from primarily focusing on module-level efficiencies, toward more holistic design styles based on parallelism and heterogeneity. This work highlights and synthesizes recent techniques and trends in power-efficient computer architecture.Table of Contents: Introduction / Voltage and Frequency Management / Heterogeneity and Sp

  9. Energy efficient distributed computing systems

    CERN Document Server

    Lee, Young-Choon

    2012-01-01

    The energy consumption issue in distributed computing systems raises various monetary, environmental and system performance concerns. Electricity consumption in the US doubled from 2000 to 2005.  From a financial and environmental standpoint, reducing the consumption of electricity is important, yet these reforms must not lead to performance degradation of the computing systems.  These contradicting constraints create a suite of complex problems that need to be resolved in order to lead to 'greener' distributed computing systems.  This book brings together a group of outsta

  10. Computationally Efficient Prediction of Ionic Liquid Properties

    DEFF Research Database (Denmark)

    Chaban, V. V.; Prezhdo, O. V.

    2014-01-01

    Due to fundamental differences, room-temperature ionic liquids (RTIL) are significantly more viscous than conventional molecular liquids and require long simulation times. At the same time, RTILs remain in the liquid state over a much broader temperature range than the ordinary liquids. We exploit...... to ambient temperatures. We numerically prove the validity of the proposed concept for density and ionic diffusion of four different RTILs. This simple method enhances the computational efficiency of the existing simulation approaches as applied to RTILs by more than an order of magnitude....

  11. Computation of the efficiency distribution of a multichannel focusing collimator

    International Nuclear Information System (INIS)

    Balasubramanian, A.; Venkateswaran, T.V.

    1977-01-01

    This article describes two computer methods of calculating the point source efficiency distribution functions of a focusing collimator with round tapered holes. The first method which computes only the geometric efficiency distribution is adequate for low energy collimators while the second method which computes both geometric and penetration efficiencies can be made use of for medium and high energy collimators. The scatter contribution to the efficiency is not taken into account. In the first method the efficiency distribution of a single cone of the collimator is obtained and the data are used for computing the distribution of the whole collimator. For high energy collimator the entire detector region is imagined to be divided into elemental areas. Efficiency of the elemental area is computed after suitably weighting for the penetration within the collimator septa, which is determined by three dimensional geometric techniques. The method of computing the line source efficiency distribution from point source distribution is also explained. The formulations have been tested by computing the efficiency distribution of several commercial collimators and collimators fabricated by us. (Auth.)

  12. An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes

    Science.gov (United States)

    Gerber, Paul R.; Mark, Alan E.; van Gunsteren, Wilfred F.

    1993-06-01

    Derivatives of free energy differences have been calculated by molecular dynamics techniques. The systems under study were ternary complexes of Trimethoprim (TMP) with dihydrofolate reductases of E. coli and chicken liver, containing the cofactor NADPH. Derivatives are taken with respect to modification of TMP, with emphasis on altering the 3-, 4- and 5-substituents of the phenyl ring. A linear approximation allows the encompassing of a whole set of modifications in a single simulation, as opposed to a full perturbation calculation, which requires a separate simulation for each modification. In the case considered here, the proposed technique requires a factor of 1000 less computing effort than a full free energy perturbation calculation. For the linear approximation to yield a significant result, one has to find ways of choosing the perturbation evolution, such that the initial trend mirrors the full calculation. The generation of new atoms requires a careful treatment of the singular terms in the non-bonded interaction. The result can be represented by maps of the changed molecule, which indicate whether complex formation is favoured under movement of partial charges and change in atom polarizabilities. Comparison with experimental measurements of inhibition constants reveals fair agreement in the range of values covered. However, detailed comparison fails to show a significant correlation. Possible reasons for the most pronounced deviations are given.

  13. An efficient and novel computation method for simulating diffraction patterns from large-scale coded apertures on large-scale focal plane arrays

    Science.gov (United States)

    Shrekenhamer, Abraham; Gottesman, Stephen R.

    2012-10-01

    A novel and memory efficient method for computing diffraction patterns produced on large-scale focal planes by largescale Coded Apertures at wavelengths where diffraction effects are significant has been developed and tested. The scheme, readily implementable on portable computers, overcomes the memory limitations of present state-of-the-art simulation codes such as Zemax. The method consists of first calculating a set of reference complex field (amplitude and phase) patterns on the focal plane produced by a single (reference) central hole, extending to twice the focal plane array size, with one such pattern for each Line-of-Sight (LOS) direction and wavelength in the scene, and with the pattern amplitude corresponding to the square-root of the spectral irradiance from each such LOS direction in the scene at selected wavelengths. Next the set of reference patterns is transformed to generate pattern sets for other holes. The transformation consists of a translational pattern shift corresponding to each hole's position offset and an electrical phase shift corresponding to each hole's position offset and incoming radiance's direction and wavelength. The set of complex patterns for each direction and wavelength is then summed coherently and squared for each detector to yield a set of power patterns unique for each direction and wavelength. Finally the set of power patterns is summed to produce the full waveband diffraction pattern from the scene. With this tool researchers can now efficiently simulate diffraction patterns produced from scenes by large-scale Coded Apertures onto large-scale focal plane arrays to support the development and optimization of coded aperture masks and image reconstruction algorithms.

  14. Fast computation of the characteristics method on vector computers

    International Nuclear Information System (INIS)

    Kugo, Teruhiko

    2001-11-01

    Fast computation of the characteristics method to solve the neutron transport equation in a heterogeneous geometry has been studied. Two vector computation algorithms; an odd-even sweep (OES) method and an independent sequential sweep (ISS) method have been developed and their efficiency to a typical fuel assembly calculation has been investigated. For both methods, a vector computation is 15 times faster than a scalar computation. From a viewpoint of comparison between the OES and ISS methods, the followings are found: 1) there is a small difference in a computation speed, 2) the ISS method shows a faster convergence and 3) the ISS method saves about 80% of computer memory size compared with the OES method. It is, therefore, concluded that the ISS method is superior to the OES method as a vectorization method. In the vector computation, a table-look-up method to reduce computation time of an exponential function saves only 20% of a whole computation time. Both the coarse mesh rebalance method and the Aitken acceleration method are effective as acceleration methods for the characteristics method, a combination of them saves 70-80% of outer iterations compared with a free iteration. (author)

  15. Efficient Resource Management in Cloud Computing

    OpenAIRE

    Rushikesh Shingade; Amit Patil; Shivam Suryawanshi; M. Venkatesan

    2015-01-01

    Cloud computing, one of the widely used technology to provide cloud services for users who are charged for receiving services. In the aspect of a maximum number of resources, evaluating the performance of Cloud resource management policies are difficult to optimize efficiently. There are different simulation toolkits available for simulation and modelling the Cloud computing environment like GridSim CloudAnalyst, CloudSim, GreenCloud, CloudAuction etc. In proposed Efficient Resource Manage...

  16. TU-H-CAMPUS-IeP1-01: Bias and Computational Efficiency of Variance Reduction Methods for the Monte Carlo Simulation of Imaging Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, D; Badano, A [Division of Imaging, Diagnostics and Software Reliability, OSEL/CDRH, Food & Drug Administration, MD (United States); Sempau, J [Technical University of Catalonia, Barcelona (Spain)

    2016-06-15

    Purpose: Variance reduction techniques (VRTs) are employed in Monte Carlo simulations to obtain estimates with reduced statistical uncertainty for a given simulation time. In this work, we study the bias and efficiency of a VRT for estimating the response of imaging detectors. Methods: We implemented Directed Sampling (DS), preferentially directing a fraction of emitted optical photons directly towards the detector by altering the isotropic model. The weight of each optical photon is appropriately modified to maintain simulation estimates unbiased. We use a Monte Carlo tool called fastDETECT2 (part of the hybridMANTIS open-source package) for optical transport, modified for VRT. The weight of each photon is calculated as the ratio of original probability (no VRT) and the new probability for a particular direction. For our analysis of bias and efficiency, we use pulse height spectra, point response functions, and Swank factors. We obtain results for a variety of cases including analog (no VRT, isotropic distribution), and DS with 0.2 and 0.8 optical photons directed towards the sensor plane. We used 10,000, 25-keV primaries. Results: The Swank factor for all cases in our simplified model converged fast (within the first 100 primaries) to a stable value of 0.9. The root mean square error per pixel for DS VRT for the point response function between analog and VRT cases was approximately 5e-4. Conclusion: Our preliminary results suggest that DS VRT does not affect the estimate of the mean for the Swank factor. Our findings indicate that it may be possible to design VRTs for imaging detector simulations to increase computational efficiency without introducing bias.

  17. Efficient searching in meshfree methods

    Science.gov (United States)

    Olliff, James; Alford, Brad; Simkins, Daniel C.

    2018-04-01

    Meshfree methods such as the Reproducing Kernel Particle Method and the Element Free Galerkin method have proven to be excellent choices for problems involving complex geometry, evolving topology, and large deformation, owing to their ability to model the problem domain without the constraints imposed on the Finite Element Method (FEM) meshes. However, meshfree methods have an added computational cost over FEM that come from at least two sources: increased cost of shape function evaluation and the determination of adjacency or connectivity. The focus of this paper is to formally address the types of adjacency information that arises in various uses of meshfree methods; a discussion of available techniques for computing the various adjacency graphs; propose a new search algorithm and data structure; and finally compare the memory and run time performance of the methods.

  18. Technical note: optimization for improved tube-loading efficiency in the dual-energy computed tomography coupled with balanced filter method.

    Science.gov (United States)

    Saito, Masatoshi

    2010-08-01

    This article describes the spectral optimization of dual-energy computed tomography using balanced filters (bf-DECT) to reduce the tube loadings and dose by dedicating to the acquisition of electron density information, which is essential for treatment planning in radiotherapy. For the spectral optimization of bf-DECT, the author calculated the beam-hardening error and air kerma required to achieve a desired noise level in an electron density image of a 50-cm-diameter cylindrical water phantom. The calculation enables the selection of beam parameters such as tube voltage, balanced filter material, and its thickness. The optimal combination of tube voltages was 80 kV/140 kV in conjunction with Tb/Hf and Bi/Mo filter pairs; this combination agrees with that obtained in a previous study [M. Saito, "Spectral optimization for measuring electron density by the dual-energy computed tomography coupled with balanced filter method," Med. Phys. 36, 3631-3642 (2009)], although the thicknesses of the filters that yielded a minimum tube output were slightly different from those obtained in the previous study. The resultant tube loading of a low-energy scan of the present bf-DECT significantly decreased from 57.5 to 4.5 times that of a high-energy scan for conventional DECT. Furthermore, the air kerma of bf-DECT could be reduced to less than that of conventional DECT, while obtaining the same figure of merit for the measurement of electron density and effective atomic number. The tube-loading and dose efficiencies of bf-DECT were considerably improved by sacrificing the quality of the noise level in the images of effective atomic number.

  19. Efficient GPU-based skyline computation

    DEFF Research Database (Denmark)

    Bøgh, Kenneth Sejdenfaden; Assent, Ira; Magnani, Matteo

    2013-01-01

    The skyline operator for multi-criteria search returns the most interesting points of a data set with respect to any monotone preference function. Existing work has almost exclusively focused on efficiently computing skylines on one or more CPUs, ignoring the high parallelism possible in GPUs. In...

  20. Computing Nash equilibria through computational intelligence methods

    Science.gov (United States)

    Pavlidis, N. G.; Parsopoulos, K. E.; Vrahatis, M. N.

    2005-03-01

    Nash equilibrium constitutes a central solution concept in game theory. The task of detecting the Nash equilibria of a finite strategic game remains a challenging problem up-to-date. This paper investigates the effectiveness of three computational intelligence techniques, namely, covariance matrix adaptation evolution strategies, particle swarm optimization, as well as, differential evolution, to compute Nash equilibria of finite strategic games, as global minima of a real-valued, nonnegative function. An issue of particular interest is to detect more than one Nash equilibria of a game. The performance of the considered computational intelligence methods on this problem is investigated using multistart and deflection.

  1. Efficient quantum computing with weak measurements

    International Nuclear Information System (INIS)

    Lund, A P

    2011-01-01

    Projective measurements with high quantum efficiency are often assumed to be required for efficient circuit-based quantum computing. We argue that this is not the case and show that the fact that they are not required was actually known previously but was not deeply explored. We examine this issue by giving an example of how to perform the quantum-ordering-finding algorithm efficiently using non-local weak measurements considering that the measurements used are of bounded weakness and some fixed but arbitrary probability of success less than unity is required. We also show that it is possible to perform the same computation with only local weak measurements, but this must necessarily introduce an exponential overhead.

  2. Efficient Multi-Party Computation over Rings

    DEFF Research Database (Denmark)

    Cramer, Ronald; Fehr, Serge; Ishai, Yuval

    2003-01-01

    Secure multi-party computation (MPC) is an active research area, and a wide range of literature can be found nowadays suggesting improvements and generalizations of existing protocols in various directions. However, all current techniques for secure MPC apply to functions that are represented by ...... the usefulness of the above results by presenting a novel application of MPC over (non-field) rings to the round-efficient secure computation of the maximum function. Basic Research in Computer Science (www.brics.dk), funded by the Danish National Research Foundation.......Secure multi-party computation (MPC) is an active research area, and a wide range of literature can be found nowadays suggesting improvements and generalizations of existing protocols in various directions. However, all current techniques for secure MPC apply to functions that are represented...... by (boolean or arithmetic) circuits over finite fields. We are motivated by two limitations of these techniques: – Generality. Existing protocols do not apply to computation over more general algebraic structures (except via a brute-force simulation of computation in these structures). – Efficiency. The best...

  3. Efficient Methods for Fast Shading

    Directory of Open Access Journals (Sweden)

    ROMANYUK, A.

    2008-06-01

    Full Text Available On devices without battery consuming and specialized hardware for rendering, it is important to improve the speed and quality so that these methods are suitable for real-time rendering. Furthermore such algorithms are needed on the coming multicore architectures. We show how the methods by Gouraud and Phong, the commonly most used methods for shading, can be improved and made faster for both software rendering as well as simple low energy consuming hardware implementations. Moreover, this paper summarizes the authors' achievements in increasing shading speed and performance and a Bidirectional Reflectance Distribution Function is simplified for faster computing and hardware implementation.

  4. Numerical aspects for efficient welding computational mechanics

    Directory of Open Access Journals (Sweden)

    Aburuga Tarek Kh.S.

    2014-01-01

    Full Text Available The effect of the residual stresses and strains is one of the most important parameter in the structure integrity assessment. A finite element model is constructed in order to simulate the multi passes mismatched submerged arc welding SAW which used in the welded tensile test specimen. Sequentially coupled thermal mechanical analysis is done by using ABAQUS software for calculating the residual stresses and distortion due to welding. In this work, three main issues were studied in order to reduce the time consuming during welding simulation which is the major problem in the computational welding mechanics (CWM. The first issue is dimensionality of the problem. Both two- and three-dimensional models are constructed for the same analysis type, shell element for two dimension simulation shows good performance comparing with brick element. The conventional method to calculate residual stress is by using implicit scheme that because of the welding and cooling time is relatively high. In this work, the author shows that it could use the explicit scheme with the mass scaling technique, and time consuming during the analysis will be reduced very efficiently. By using this new technique, it will be possible to simulate relatively large three dimensional structures.

  5. Computer Architecture Techniques for Power-Efficiency

    CERN Document Server

    Kaxiras, Stefanos

    2008-01-01

    In the last few years, power dissipation has become an important design constraint, on par with performance, in the design of new computer systems. Whereas in the past, the primary job of the computer architect was to translate improvements in operating frequency and transistor count into performance, now power efficiency must be taken into account at every step of the design process. While for some time, architects have been successful in delivering 40% to 50% annual improvement in processor performance, costs that were previously brushed aside eventually caught up. The most critical of these

  6. Computer Architecture for Energy Efficient SFQ

    Science.gov (United States)

    2014-08-27

    IBM Corporation (T.J. Watson Research Laboratory) 1101 Kitchawan Road Yorktown Heights, NY 10598 -0000 2 ABSTRACT Number of Papers published in peer...accomplished during this ARO-sponsored project at IBM Research to identify and model an energy efficient SFQ-based computer architecture. The... IBM Windsor Blue (WB), illustrated schematically in Figure 2. The basic building block of WB is a "tile" comprised of a 64-bit arithmetic logic unit

  7. Energy-efficient cooking methods

    Energy Technology Data Exchange (ETDEWEB)

    De, Dilip K. [Department of Physics, University of Jos, P.M.B. 2084, Jos, Plateau State (Nigeria); Muwa Shawhatsu, N. [Department of Physics, Federal University of Technology, Yola, P.M.B. 2076, Yola, Adamawa State (Nigeria); De, N.N. [Department of Mechanical and Aerospace Engineering, The University of Texas at Arlington, Arlington, TX 76019 (United States); Ikechukwu Ajaeroh, M. [Department of Physics, University of Abuja, Abuja (Nigeria)

    2013-02-15

    Energy-efficient new cooking techniques have been developed in this research. Using a stove with 649{+-}20 W of power, the minimum heat, specific heat of transformation, and on-stove time required to completely cook 1 kg of dry beans (with water and other ingredients) and 1 kg of raw potato are found to be: 710 {+-}kJ, 613 {+-}kJ, and 1,144{+-}10 s, respectively, for beans and 287{+-}12 kJ, 200{+-}9 kJ, and 466{+-}10 s for Irish potato. Extensive researches show that these figures are, to date, the lowest amount of heat ever used to cook beans and potato and less than half the energy used in conventional cooking with a pressure cooker. The efficiency of the stove was estimated to be 52.5{+-}2 %. Discussion is made to further improve the efficiency in cooking with normal stove and solar cooker and to save food nutrients further. Our method of cooking when applied globally is expected to contribute to the clean development management (CDM) potential. The approximate values of the minimum and maximum CDM potentials are estimated to be 7.5 x 10{sup 11} and 2.2 x 10{sup 13} kg of carbon credit annually. The precise estimation CDM potential of our cooking method will be reported later.

  8. Method for computed tomography

    International Nuclear Information System (INIS)

    Wagner, W.

    1980-01-01

    In transversal computer tomography apparatus, in which the positioning zone in which the patient can be positioned is larger than the scanning zone in which a body slice can be scanned, reconstruction errors are liable to occur. These errors are caused by incomplete irradiation of the body during examination. They become manifest not only as an incorrect image of the area not irradiated, but also have an adverse effect on the image of the other, completely irradiated areas. The invention enables reduction of these errors

  9. Computational methods working group

    International Nuclear Information System (INIS)

    Gabriel, T.A.

    1997-09-01

    During the Cold Moderator Workshop several working groups were established including one to discuss calculational methods. The charge for this working group was to identify problems in theory, data, program execution, etc., and to suggest solutions considering both deterministic and stochastic methods including acceleration procedures.

  10. A computationally efficient fuzzy control s

    Directory of Open Access Journals (Sweden)

    Abdel Badie Sharkawy

    2013-12-01

    Full Text Available This paper develops a decentralized fuzzy control scheme for MIMO nonlinear second order systems with application to robot manipulators via a combination of genetic algorithms (GAs and fuzzy systems. The controller for each degree of freedom (DOF consists of a feedforward fuzzy torque computing system and a feedback fuzzy PD system. The feedforward fuzzy system is trained and optimized off-line using GAs, whereas not only the parameters but also the structure of the fuzzy system is optimized. The feedback fuzzy PD system, on the other hand, is used to keep the closed-loop stable. The rule base consists of only four rules per each DOF. Furthermore, the fuzzy feedback system is decentralized and simplified leading to a computationally efficient control scheme. The proposed control scheme has the following advantages: (1 it needs no exact dynamics of the system and the computation is time-saving because of the simple structure of the fuzzy systems and (2 the controller is robust against various parameters and payload uncertainties. The computational complexity of the proposed control scheme has been analyzed and compared with previous works. Computer simulations show that this controller is effective in achieving the control goals.

  11. Efficient methods of piping cleaning

    Directory of Open Access Journals (Sweden)

    Orlov Vladimir Aleksandrovich

    2014-01-01

    Full Text Available The article contains the analysis of the efficient methods of piping cleaning of water supply and sanitation systems. Special attention is paid to the ice cleaning method, in course of which biological foil and various mineral and organic deposits are removed due to the ice crust buildup on the inner surface of water supply and drainage pipes. These impurities are responsible for the deterioration of the organoleptic properties of the transported drinking water or narrowing cross-section of drainage pipes. The co-authors emphasize that the use of ice compared to other methods of pipe cleaning has a number of advantages due to the relative simplicity and cheapness of the process, economical efficiency and lack of environmental risk. The equipment for performing ice cleaning is presented, its technological options, terms of cleansing operations, as well as the volumes of disposed pollution per unit length of the water supply and drainage pipelines. It is noted that ice cleaning requires careful planning in the process of cooking ice and in the process of its supply in the pipe. There are specific requirements to its quality. In particular, when you clean drinking water system the ice applied should be hygienically clean and meet sanitary requirements.In pilot projects, in particular, quantitative and qualitative analysis of sediments adsorbed by ice is conducted, as well as temperature and the duration of the process. The degree of pollution of the pipeline was estimated by the volume of the remote sediment on 1 km of pipeline. Cleaning pipelines using ice can be considered one of the methods of trenchless technologies, being a significant alternative to traditional methods of cleaning the pipes. The method can be applied in urban pipeline systems of drinking water supply for the diameters of 100—600 mm, and also to diversion collectors. In the world today 450 km of pipelines are subject to ice cleaning method.Ice cleaning method is simple

  12. Efficient Computation of Casimir Interactions between Arbitrary 3D Objects

    International Nuclear Information System (INIS)

    Reid, M. T. Homer; Rodriguez, Alejandro W.; White, Jacob; Johnson, Steven G.

    2009-01-01

    We introduce an efficient technique for computing Casimir energies and forces between objects of arbitrarily complex 3D geometries. In contrast to other recently developed methods, our technique easily handles nonspheroidal, nonaxisymmetric objects, and objects with sharp corners. Using our new technique, we obtain the first predictions of Casimir interactions in a number of experimentally relevant geometries, including crossed cylinders and tetrahedral nanoparticles.

  13. Numerical Methods for Stochastic Computations A Spectral Method Approach

    CERN Document Server

    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

  14. Structured Parallel Programming Patterns for Efficient Computation

    CERN Document Server

    McCool, Michael; Robison, Arch

    2012-01-01

    Programming is now parallel programming. Much as structured programming revolutionized traditional serial programming decades ago, a new kind of structured programming, based on patterns, is relevant to parallel programming today. Parallel computing experts and industry insiders Michael McCool, Arch Robison, and James Reinders describe how to design and implement maintainable and efficient parallel algorithms using a pattern-based approach. They present both theory and practice, and give detailed concrete examples using multiple programming models. Examples are primarily given using two of th

  15. Computational Methods in Medicine

    Directory of Open Access Journals (Sweden)

    Angel Garrido

    2010-01-01

    Full Text Available Artificial Intelligence requires Logic. But its Classical version shows too many insufficiencies. So, it is absolutely necessary to introduce more sophisticated tools, such as Fuzzy Logic, Modal Logic, Non-Monotonic Logic, and so on [2]. Among the things that AI needs to represent are Categories, Objects, Properties, Relations between objects, Situations, States, Time, Events, Causes and effects, Knowledge about knowledge, and so on. The problems in AI can be classified in two general types
    [3, 4], Search Problems and Representation Problem. There exist different ways to reach this objective. So, we have [3] Logics, Rules, Frames, Associative Nets, Scripts and so on, that are often interconnected. Also, it will be very useful, in dealing with problems of uncertainty and causality, to introduce Bayesian Networks and particularly, a principal tool as the Essential Graph. We attempt here to show the scope of application of such versatile methods, currently fundamental in Medicine.

  16. An efficient Adaptive Mesh Refinement (AMR) algorithm for the Discontinuous Galerkin method: Applications for the computation of compressible two-phase flows

    Science.gov (United States)

    Papoutsakis, Andreas; Sazhin, Sergei S.; Begg, Steven; Danaila, Ionut; Luddens, Francky

    2018-06-01

    We present an Adaptive Mesh Refinement (AMR) method suitable for hybrid unstructured meshes that allows for local refinement and de-refinement of the computational grid during the evolution of the flow. The adaptive implementation of the Discontinuous Galerkin (DG) method introduced in this work (ForestDG) is based on a topological representation of the computational mesh by a hierarchical structure consisting of oct- quad- and binary trees. Adaptive mesh refinement (h-refinement) enables us to increase the spatial resolution of the computational mesh in the vicinity of the points of interest such as interfaces, geometrical features, or flow discontinuities. The local increase in the expansion order (p-refinement) at areas of high strain rates or vorticity magnitude results in an increase of the order of accuracy in the region of shear layers and vortices. A graph of unitarian-trees, representing hexahedral, prismatic and tetrahedral elements is used for the representation of the initial domain. The ancestral elements of the mesh can be split into self-similar elements allowing each tree to grow branches to an arbitrary level of refinement. The connectivity of the elements, their genealogy and their partitioning are described by linked lists of pointers. An explicit calculation of these relations, presented in this paper, facilitates the on-the-fly splitting, merging and repartitioning of the computational mesh by rearranging the links of each node of the tree with a minimal computational overhead. The modal basis used in the DG implementation facilitates the mapping of the fluxes across the non conformal faces. The AMR methodology is presented and assessed using a series of inviscid and viscous test cases. Also, the AMR methodology is used for the modelling of the interaction between droplets and the carrier phase in a two-phase flow. This approach is applied to the analysis of a spray injected into a chamber of quiescent air, using the Eulerian

  17. Dimensioning storage and computing clusters for efficient High Throughput Computing

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    Scientific experiments are producing huge amounts of data, and they continue increasing the size of their datasets and the total volume of data. These data are then processed by researchers belonging to large scientific collaborations, with the Large Hadron Collider being a good example. The focal point of Scientific Data Centres has shifted from coping efficiently with PetaByte scale storage to deliver quality data processing throughput. The dimensioning of the internal components in High Throughput Computing (HTC) data centers is of crucial importance to cope with all the activities demanded by the experiments, both the online (data acceptance) and the offline (data processing, simulation and user analysis). This requires a precise setup involving disk and tape storage services, a computing cluster and the internal networking to prevent bottlenecks, overloads and undesired slowness that lead to losses cpu cycles and batch jobs failures. In this paper we point out relevant features for running a successful s...

  18. Numerical methods in matrix computations

    CERN Document Server

    Björck, Åke

    2015-01-01

    Matrix algorithms are at the core of scientific computing and are indispensable tools in most applications in engineering. This book offers a comprehensive and up-to-date treatment of modern methods in matrix computation. It uses a unified approach to direct and iterative methods for linear systems, least squares and eigenvalue problems. A thorough analysis of the stability, accuracy, and complexity of the treated methods is given. Numerical Methods in Matrix Computations is suitable for use in courses on scientific computing and applied technical areas at advanced undergraduate and graduate level. A large bibliography is provided, which includes both historical and review papers as well as recent research papers. This makes the book useful also as a reference and guide to further study and research work. Åke Björck is a professor emeritus at the Department of Mathematics, Linköping University. He is a Fellow of the Society of Industrial and Applied Mathematics.

  19. Computationally Efficient Clustering of Audio-Visual Meeting Data

    Science.gov (United States)

    Hung, Hayley; Friedland, Gerald; Yeo, Chuohao

    This chapter presents novel computationally efficient algorithms to extract semantically meaningful acoustic and visual events related to each of the participants in a group discussion using the example of business meeting recordings. The recording setup involves relatively few audio-visual sensors, comprising a limited number of cameras and microphones. We first demonstrate computationally efficient algorithms that can identify who spoke and when, a problem in speech processing known as speaker diarization. We also extract visual activity features efficiently from MPEG4 video by taking advantage of the processing that was already done for video compression. Then, we present a method of associating the audio-visual data together so that the content of each participant can be managed individually. The methods presented in this article can be used as a principal component that enables many higher-level semantic analysis tasks needed in search, retrieval, and navigation.

  20. Numerical computer methods part D

    CERN Document Server

    Johnson, Michael L

    2004-01-01

    The aim of this volume is to brief researchers of the importance of data analysis in enzymology, and of the modern methods that have developed concomitantly with computer hardware. It is also to validate researchers' computer programs with real and synthetic data to ascertain that the results produced are what they expected. Selected Contents: Prediction of protein structure; modeling and studying proteins with molecular dynamics; statistical error in isothermal titration calorimetry; analysis of circular dichroism data; model comparison methods.

  1. Domain decomposition methods and parallel computing

    International Nuclear Information System (INIS)

    Meurant, G.

    1991-01-01

    In this paper, we show how to efficiently solve large linear systems on parallel computers. These linear systems arise from discretization of scientific computing problems described by systems of partial differential equations. We show how to get a discrete finite dimensional system from the continuous problem and the chosen conjugate gradient iterative algorithm is briefly described. Then, the different kinds of parallel architectures are reviewed and their advantages and deficiencies are emphasized. We sketch the problems found in programming the conjugate gradient method on parallel computers. For this algorithm to be efficient on parallel machines, domain decomposition techniques are introduced. We give results of numerical experiments showing that these techniques allow a good rate of convergence for the conjugate gradient algorithm as well as computational speeds in excess of a billion of floating point operations per second. (author). 5 refs., 11 figs., 2 tabs., 1 inset

  2. Energy Efficiency in Computing (1/2)

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    As manufacturers improve the silicon process, truly low energy computing is becoming a reality - both in servers and in the consumer space. This series of lectures covers a broad spectrum of aspects related to energy efficient computing - from circuits to datacentres. We will discuss common trade-offs and basic components, such as processors, memory and accelerators. We will also touch on the fundamentals of modern datacenter design and operation. Lecturer's short bio: Andrzej Nowak has 10 years of experience in computing technologies, primarily from CERN openlab and Intel. At CERN, he managed a research lab collaborating with Intel and was part of the openlab Chief Technology Office. Andrzej also worked closely and initiated projects with the private sector (e.g. HP and Google), as well as international research institutes, such as EPFL. Currently, Andrzej acts as a consultant on technology and innovation with TIK Services (http://tik.services), and runs a peer-to-peer lending start-up. NB! All Academic L...

  3. Comparative study of the efficiency of computed univariate and multivariate methods for the estimation of the binary mixture of clotrimazole and dexamethasone using two different spectral regions

    Science.gov (United States)

    Fayez, Yasmin Mohammed; Tawakkol, Shereen Mostafa; Fahmy, Nesma Mahmoud; Lotfy, Hayam Mahmoud; Shehata, Mostafa Abdel-Aty

    2018-04-01

    Three methods of analysis are conducted that need computational procedures by the Matlab® software. The first is the univariate mean centering method which eliminates the interfering signal of the one component at a selected wave length leaving the amplitude measured to represent the component of interest only. The other two multivariate methods named PLS and PCR depend on a large number of variables that lead to extraction of the maximum amount of information required to determine the component of interest in the presence of the other. Good accurate and precise results are obtained from the three methods for determining clotrimazole in the linearity range 1-12 μg/mL and 75-550 μg/mL with dexamethasone acetate 2-20 μg/mL in synthetic mixtures and pharmaceutical formulation using two different spectral regions 205-240 nm and 233-278 nm. The results obtained are compared statistically to each other and to the official methods.

  4. A primer on the energy efficiency of computing

    Energy Technology Data Exchange (ETDEWEB)

    Koomey, Jonathan G. [Research Fellow, Steyer-Taylor Center for Energy Policy and Finance, Stanford University (United States)

    2015-03-30

    The efficiency of computing at peak output has increased rapidly since the dawn of the computer age. This paper summarizes some of the key factors affecting the efficiency of computing in all usage modes. While there is still great potential for improving the efficiency of computing devices, we will need to alter how we do computing in the next few decades because we are finally approaching the limits of current technologies.

  5. Efficiency and stability of the DSBGK method

    KAUST Repository

    Li, Jun

    2012-07-09

    Recently, the DSBGK method (Note: the original name DS-BGK is changed to DSBGK for simplicity) was proposed to reduce the stochastic noise in simulating rarefied gas flows at low velocity. Its total computational time is almost independent of the magnitude of deviation from equilibrium state. It was verified by the DSMC method in different benchmark problems over a wide range of Kn number. Some simulation results of the closed lid-driven cavity flow, thermal transpiration flow and the open channel flow by the DSBGK method are given here to show its efficiency and numerical stability. In closed problems, the density distribution is subject to unphysical fluctuation due to the absence of density constraint at the boundary. Thus, many simulated molecules are employed by DSBGK simulations to improve the stability and reduce the magnitude of fluctuation. This increases the memory usage remarkably but has small influence to the efficiency of DSBGK simulations. In open problems, the DSBGK simulation remains stable when using about 10 simulated molecules per cell because the fixed number densities at open boundaries eliminate the unphysical fluctuation. Small modification to the CLL reflection model is introduced to further improve the efficiency slightly.

  6. Efficiency and stability of the DSBGK method

    KAUST Repository

    Li, Jun

    2012-01-01

    Recently, the DSBGK method (Note: the original name DS-BGK is changed to DSBGK for simplicity) was proposed to reduce the stochastic noise in simulating rarefied gas flows at low velocity. Its total computational time is almost independent of the magnitude of deviation from equilibrium state. It was verified by the DSMC method in different benchmark problems over a wide range of Kn number. Some simulation results of the closed lid-driven cavity flow, thermal transpiration flow and the open channel flow by the DSBGK method are given here to show its efficiency and numerical stability. In closed problems, the density distribution is subject to unphysical fluctuation due to the absence of density constraint at the boundary. Thus, many simulated molecules are employed by DSBGK simulations to improve the stability and reduce the magnitude of fluctuation. This increases the memory usage remarkably but has small influence to the efficiency of DSBGK simulations. In open problems, the DSBGK simulation remains stable when using about 10 simulated molecules per cell because the fixed number densities at open boundaries eliminate the unphysical fluctuation. Small modification to the CLL reflection model is introduced to further improve the efficiency slightly.

  7. Computational methods in earthquake engineering

    CERN Document Server

    Plevris, Vagelis; Lagaros, Nikos

    2017-01-01

    This is the third book in a series on Computational Methods in Earthquake Engineering. The purpose of this volume is to bring together the scientific communities of Computational Mechanics and Structural Dynamics, offering a wide coverage of timely issues on contemporary Earthquake Engineering. This volume will facilitate the exchange of ideas in topics of mutual interest and can serve as a platform for establishing links between research groups with complementary activities. The computational aspects are emphasized in order to address difficult engineering problems of great social and economic importance. .

  8. An Efficient Simulation Method for Rare Events

    KAUST Repository

    Rached, Nadhir B.

    2015-01-07

    Estimating the probability that a sum of random variables (RVs) exceeds a given threshold is a well-known challenging problem. Closed-form expressions for the sum distribution do not generally exist, which has led to an increasing interest in simulation approaches. A crude Monte Carlo (MC) simulation is the standard technique for the estimation of this type of probability. However, this approach is computationally expensive, especially when dealing with rare events. Variance reduction techniques are alternative approaches that can improve the computational efficiency of naive MC simulations. We propose an Importance Sampling (IS) simulation technique based on the well-known hazard rate twisting approach, that presents the advantage of being asymptotically optimal for any arbitrary RVs. The wide scope of applicability of the proposed method is mainly due to our particular way of selecting the twisting parameter. It is worth observing that this interesting feature is rarely satisfied by variance reduction algorithms whose performances were only proven under some restrictive assumptions. It comes along with a good efficiency, illustrated by some selected simulation results comparing the performance of our method with that of an algorithm based on a conditional MC technique.

  9. An Efficient Simulation Method for Rare Events

    KAUST Repository

    Rached, Nadhir B.; Benkhelifa, Fatma; Kammoun, Abla; Alouini, Mohamed-Slim; Tempone, Raul

    2015-01-01

    Estimating the probability that a sum of random variables (RVs) exceeds a given threshold is a well-known challenging problem. Closed-form expressions for the sum distribution do not generally exist, which has led to an increasing interest in simulation approaches. A crude Monte Carlo (MC) simulation is the standard technique for the estimation of this type of probability. However, this approach is computationally expensive, especially when dealing with rare events. Variance reduction techniques are alternative approaches that can improve the computational efficiency of naive MC simulations. We propose an Importance Sampling (IS) simulation technique based on the well-known hazard rate twisting approach, that presents the advantage of being asymptotically optimal for any arbitrary RVs. The wide scope of applicability of the proposed method is mainly due to our particular way of selecting the twisting parameter. It is worth observing that this interesting feature is rarely satisfied by variance reduction algorithms whose performances were only proven under some restrictive assumptions. It comes along with a good efficiency, illustrated by some selected simulation results comparing the performance of our method with that of an algorithm based on a conditional MC technique.

  10. Energy Efficiency in Computing (2/2)

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    We will start the second day of our energy efficient computing series with a brief discussion of software and the impact it has on energy consumption. A second major point of this lecture will be the current state of research and a few future technologies, ranging from mainstream (e.g. the Internet of Things) to exotic. Lecturer's short bio: Andrzej Nowak has 10 years of experience in computing technologies, primarily from CERN openlab and Intel. At CERN, he managed a research lab collaborating with Intel and was part of the openlab Chief Technology Office. Andrzej also worked closely and initiated projects with the private sector (e.g. HP and Google), as well as international research institutes, such as EPFL. Currently, Andrzej acts as a consultant on technology and innovation with TIK Services (http://tik.services), and runs a peer-to-peer lending start-up. NB! All Academic Lectures are recorded. No webcast! Because of a problem of the recording equipment, this lecture will be repeated for recording pu...

  11. Dimensioning storage and computing clusters for efficient high throughput computing

    International Nuclear Information System (INIS)

    Accion, E; Bria, A; Bernabeu, G; Caubet, M; Delfino, M; Espinal, X; Merino, G; Lopez, F; Martinez, F; Planas, E

    2012-01-01

    Scientific experiments are producing huge amounts of data, and the size of their datasets and total volume of data continues increasing. These data are then processed by researchers belonging to large scientific collaborations, with the Large Hadron Collider being a good example. The focal point of scientific data centers has shifted from efficiently coping with PetaByte scale storage to deliver quality data processing throughput. The dimensioning of the internal components in High Throughput Computing (HTC) data centers is of crucial importance to cope with all the activities demanded by the experiments, both the online (data acceptance) and the offline (data processing, simulation and user analysis). This requires a precise setup involving disk and tape storage services, a computing cluster and the internal networking to prevent bottlenecks, overloads and undesired slowness that lead to losses cpu cycles and batch jobs failures. In this paper we point out relevant features for running a successful data storage and processing service in an intensive HTC environment.

  12. Methods for computing color anaglyphs

    Science.gov (United States)

    McAllister, David F.; Zhou, Ya; Sullivan, Sophia

    2010-02-01

    A new computation technique is presented for calculating pixel colors in anaglyph images. The method depends upon knowing the RGB spectral distributions of the display device and the transmission functions of the filters in the viewing glasses. It requires the solution of a nonlinear least-squares program for each pixel in a stereo pair and is based on minimizing color distances in the CIEL*a*b* uniform color space. The method is compared with several techniques for computing anaglyphs including approximation in CIE space using the Euclidean and Uniform metrics, the Photoshop method and its variants, and a method proposed by Peter Wimmer. We also discuss the methods of desaturation and gamma correction for reducing retinal rivalry.

  13. Efficient computation of clipped Voronoi diagram for mesh generation

    KAUST Repository

    Yan, Dongming

    2013-04-01

    The Voronoi diagram is a fundamental geometric structure widely used in various fields, especially in computer graphics and geometry computing. For a set of points in a compact domain (i.e. a bounded and closed 2D region or a 3D volume), some Voronoi cells of their Voronoi diagram are infinite or partially outside of the domain, but in practice only the parts of the cells inside the domain are needed, as when computing the centroidal Voronoi tessellation. Such a Voronoi diagram confined to a compact domain is called a clipped Voronoi diagram. We present an efficient algorithm to compute the clipped Voronoi diagram for a set of sites with respect to a compact 2D region or a 3D volume. We also apply the proposed method to optimal mesh generation based on the centroidal Voronoi tessellation. Crown Copyright © 2011 Published by Elsevier Ltd. All rights reserved.

  14. Efficient computation of clipped Voronoi diagram for mesh generation

    KAUST Repository

    Yan, Dongming; Wang, Wen Ping; Lé vy, Bruno L.; Liu, Yang

    2013-01-01

    The Voronoi diagram is a fundamental geometric structure widely used in various fields, especially in computer graphics and geometry computing. For a set of points in a compact domain (i.e. a bounded and closed 2D region or a 3D volume), some Voronoi cells of their Voronoi diagram are infinite or partially outside of the domain, but in practice only the parts of the cells inside the domain are needed, as when computing the centroidal Voronoi tessellation. Such a Voronoi diagram confined to a compact domain is called a clipped Voronoi diagram. We present an efficient algorithm to compute the clipped Voronoi diagram for a set of sites with respect to a compact 2D region or a 3D volume. We also apply the proposed method to optimal mesh generation based on the centroidal Voronoi tessellation. Crown Copyright © 2011 Published by Elsevier Ltd. All rights reserved.

  15. Efficient Training Methods for Conditional Random Fields

    National Research Council Canada - National Science Library

    Sutton, Charles A

    2008-01-01

    .... In this thesis, I investigate efficient training methods for conditional random fields with complex graphical structure, focusing on local methods which avoid propagating information globally along the graph...

  16. Improving computational efficiency of Monte Carlo simulations with variance reduction

    International Nuclear Information System (INIS)

    Turner, A.; Davis, A.

    2013-01-01

    CCFE perform Monte-Carlo transport simulations on large and complex tokamak models such as ITER. Such simulations are challenging since streaming and deep penetration effects are equally important. In order to make such simulations tractable, both variance reduction (VR) techniques and parallel computing are used. It has been found that the application of VR techniques in such models significantly reduces the efficiency of parallel computation due to 'long histories'. VR in MCNP can be accomplished using energy-dependent weight windows. The weight window represents an 'average behaviour' of particles, and large deviations in the arriving weight of a particle give rise to extreme amounts of splitting being performed and a long history. When running on parallel clusters, a long history can have a detrimental effect on the parallel efficiency - if one process is computing the long history, the other CPUs complete their batch of histories and wait idle. Furthermore some long histories have been found to be effectively intractable. To combat this effect, CCFE has developed an adaptation of MCNP which dynamically adjusts the WW where a large weight deviation is encountered. The method effectively 'de-optimises' the WW, reducing the VR performance but this is offset by a significant increase in parallel efficiency. Testing with a simple geometry has shown the method does not bias the result. This 'long history method' has enabled CCFE to significantly improve the performance of MCNP calculations for ITER on parallel clusters, and will be beneficial for any geometry combining streaming and deep penetration effects. (authors)

  17. Computational methods in drug discovery

    Directory of Open Access Journals (Sweden)

    Sumudu P. Leelananda

    2016-12-01

    Full Text Available The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein–ligand docking, pharmacophore modeling and QSAR techniques are reviewed.

  18. Combinatorial methods with computer applications

    CERN Document Server

    Gross, Jonathan L

    2007-01-01

    Combinatorial Methods with Computer Applications provides in-depth coverage of recurrences, generating functions, partitions, and permutations, along with some of the most interesting graph and network topics, design constructions, and finite geometries. Requiring only a foundation in discrete mathematics, it can serve as the textbook in a combinatorial methods course or in a combined graph theory and combinatorics course.After an introduction to combinatorics, the book explores six systematic approaches within a comprehensive framework: sequences, solving recurrences, evaluating summation exp

  19. Investigating the Multi-memetic Mind Evolutionary Computation Algorithm Efficiency

    Directory of Open Access Journals (Sweden)

    M. K. Sakharov

    2017-01-01

    Full Text Available In solving practically significant problems of global optimization, the objective function is often of high dimensionality and computational complexity and of nontrivial landscape as well. Studies show that often one optimization method is not enough for solving such problems efficiently - hybridization of several optimization methods is necessary.One of the most promising contemporary trends in this field are memetic algorithms (MA, which can be viewed as a combination of the population-based search for a global optimum and the procedures for a local refinement of solutions (memes, provided by a synergy. Since there are relatively few theoretical studies concerning the MA configuration, which is advisable for use to solve the black-box optimization problems, many researchers tend just to adaptive algorithms, which for search select the most efficient methods of local optimization for the certain domains of the search space.The article proposes a multi-memetic modification of a simple SMEC algorithm, using random hyper-heuristics. Presents the software algorithm and memes used (Nelder-Mead method, method of random hyper-sphere surface search, Hooke-Jeeves method. Conducts a comparative study of the efficiency of the proposed algorithm depending on the set and the number of memes. The study has been carried out using Rastrigin, Rosenbrock, and Zakharov multidimensional test functions. Computational experiments have been carried out for all possible combinations of memes and for each meme individually.According to results of study, conducted by the multi-start method, the combinations of memes, comprising the Hooke-Jeeves method, were successful. These results prove a rapid convergence of the method to a local optimum in comparison with other memes, since all methods perform the fixed number of iterations at the most.The analysis of the average number of iterations shows that using the most efficient sets of memes allows us to find the optimal

  20. Quantitative Efficiency Evaluation Method for Transportation Networks

    Directory of Open Access Journals (Sweden)

    Jin Qin

    2014-11-01

    Full Text Available An effective evaluation of transportation network efficiency/performance is essential to the establishment of sustainable development in any transportation system. Based on a redefinition of transportation network efficiency, a quantitative efficiency evaluation method for transportation network is proposed, which could reflect the effects of network structure, traffic demands, travel choice, and travel costs on network efficiency. Furthermore, the efficiency-oriented importance measure for network components is presented, which can be used to help engineers identify the critical nodes and links in the network. The numerical examples show that, compared with existing efficiency evaluation methods, the network efficiency value calculated by the method proposed in this paper can portray the real operation situation of the transportation network as well as the effects of main factors on network efficiency. We also find that the network efficiency and the importance values of the network components both are functions of demands and network structure in the transportation network.

  1. Computational methods for fluid dynamics

    CERN Document Server

    Ferziger, Joel H

    2002-01-01

    In its 3rd revised and extended edition the book offers an overview of the techniques used to solve problems in fluid mechanics on computers and describes in detail those most often used in practice. Included are advanced methods in computational fluid dynamics, like direct and large-eddy simulation of turbulence, multigrid methods, parallel computing, moving grids, structured, block-structured and unstructured boundary-fitted grids, free surface flows. The 3rd edition contains a new section dealing with grid quality and an extended description of discretization methods. The book shows common roots and basic principles for many different methods. The book also contains a great deal of practical advice for code developers and users, it is designed to be equally useful to beginners and experts. The issues of numerical accuracy, estimation and reduction of numerical errors are dealt with in detail, with many examples. A full-feature user-friendly demo-version of a commercial CFD software has been added, which ca...

  2. Efficient computation of smoothing splines via adaptive basis sampling

    KAUST Repository

    Ma, Ping

    2015-06-24

    © 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n3). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.

  3. Efficient computation of smoothing splines via adaptive basis sampling

    KAUST Repository

    Ma, Ping; Huang, Jianhua Z.; Zhang, Nan

    2015-01-01

    © 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n3). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.

  4. Zonal methods and computational fluid dynamics

    International Nuclear Information System (INIS)

    Atta, E.H.

    1985-01-01

    Recent advances in developing numerical algorithms for solving fluid flow problems, and the continuing improvement in the speed and storage of large scale computers have made it feasible to compute the flow field about complex and realistic configurations. Current solution methods involve the use of a hierarchy of mathematical models ranging from the linearized potential equation to the Navier Stokes equations. Because of the increasing complexity of both the geometries and flowfields encountered in practical fluid flow simulation, there is a growing emphasis in computational fluid dynamics on the use of zonal methods. A zonal method is one that subdivides the total flow region into interconnected smaller regions or zones. The flow solutions in these zones are then patched together to establish the global flow field solution. Zonal methods are primarily used either to limit the complexity of the governing flow equations to a localized region or to alleviate the grid generation problems about geometrically complex and multicomponent configurations. This paper surveys the application of zonal methods for solving the flow field about two and three-dimensional configurations. Various factors affecting their accuracy and ease of implementation are also discussed. From the presented review it is concluded that zonal methods promise to be very effective for computing complex flowfields and configurations. Currently there are increasing efforts to improve their efficiency, versatility, and accuracy

  5. Quantum Computing and the Limits of the Efficiently Computable

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    I'll discuss how computational complexity---the study of what can and can't be feasibly computed---has been interacting with physics in interesting and unexpected ways. I'll first give a crash course about computer science's P vs. NP problem, as well as about the capabilities and limits of quantum computers. I'll then touch on speculative models of computation that would go even beyond quantum computers, using (for example) hypothetical nonlinearities in the Schrodinger equation. Finally, I'll discuss BosonSampling ---a proposal for a simple form of quantum computing, which nevertheless seems intractable to simulate using a classical computer---as well as the role of computational complexity in the black hole information puzzle.

  6. Efficiently outsourcing multiparty computation under multiple keys

    NARCIS (Netherlands)

    Peter, Andreas; Tews, Erik; Tews, Erik; Katzenbeisser, Stefan

    2013-01-01

    Secure multiparty computation enables a set of users to evaluate certain functionalities on their respective inputs while keeping these inputs encrypted throughout the computation. In many applications, however, outsourcing these computations to an untrusted server is desirable, so that the server

  7. 76 FR 21673 - Alternative Efficiency Determination Methods and Alternate Rating Methods

    Science.gov (United States)

    2011-04-18

    ... EERE-2011-BP-TP-00024] RIN 1904-AC46 Alternative Efficiency Determination Methods and Alternate Rating Methods AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of... and data related to the use of computer simulations, mathematical methods, and other alternative...

  8. Efficient quantum computing using coherent photon conversion.

    Science.gov (United States)

    Langford, N K; Ramelow, S; Prevedel, R; Munro, W J; Milburn, G J; Zeilinger, A

    2011-10-12

    Single photons are excellent quantum information carriers: they were used in the earliest demonstrations of entanglement and in the production of the highest-quality entanglement reported so far. However, current schemes for preparing, processing and measuring them are inefficient. For example, down-conversion provides heralded, but randomly timed, single photons, and linear optics gates are inherently probabilistic. Here we introduce a deterministic process--coherent photon conversion (CPC)--that provides a new way to generate and process complex, multiquanta states for photonic quantum information applications. The technique uses classically pumped nonlinearities to induce coherent oscillations between orthogonal states of multiple quantum excitations. One example of CPC, based on a pumped four-wave-mixing interaction, is shown to yield a single, versatile process that provides a full set of photonic quantum processing tools. This set satisfies the DiVincenzo criteria for a scalable quantum computing architecture, including deterministic multiqubit entanglement gates (based on a novel form of photon-photon interaction), high-quality heralded single- and multiphoton states free from higher-order imperfections, and robust, high-efficiency detection. It can also be used to produce heralded multiphoton entanglement, create optically switchable quantum circuits and implement an improved form of down-conversion with reduced higher-order effects. Such tools are valuable building blocks for many quantum-enabled technologies. Finally, using photonic crystal fibres we experimentally demonstrate quantum correlations arising from a four-colour nonlinear process suitable for CPC and use these measurements to study the feasibility of reaching the deterministic regime with current technology. Our scheme, which is based on interacting bosonic fields, is not restricted to optical systems but could also be implemented in optomechanical, electromechanical and superconducting

  9. Numerical computer methods part E

    CERN Document Server

    Johnson, Michael L

    2004-01-01

    The contributions in this volume emphasize analysis of experimental data and analytical biochemistry, with examples taken from biochemistry. They serve to inform biomedical researchers of the modern data analysis methods that have developed concomitantly with computer hardware. Selected Contents: A practical approach to interpretation of SVD results; modeling of oscillations in endocrine networks with feedback; quantifying asynchronous breathing; sample entropy; wavelet modeling and processing of nasal airflow traces.

  10. Computational methods for stellerator configurations

    International Nuclear Information System (INIS)

    Betancourt, O.

    1992-01-01

    This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings

  11. Efficient methods for overlapping group lasso.

    Science.gov (United States)

    Yuan, Lei; Liu, Jun; Ye, Jieping

    2013-09-01

    The group Lasso is an extension of the Lasso for feature selection on (predefined) nonoverlapping groups of features. The nonoverlapping group structure limits its applicability in practice. There have been several recent attempts to study a more general formulation where groups of features are given, potentially with overlaps between the groups. The resulting optimization is, however, much more challenging to solve due to the group overlaps. In this paper, we consider the efficient optimization of the overlapping group Lasso penalized problem. We reveal several key properties of the proximal operator associated with the overlapping group Lasso, and compute the proximal operator by solving the smooth and convex dual problem, which allows the use of the gradient descent type of algorithms for the optimization. Our methods and theoretical results are then generalized to tackle the general overlapping group Lasso formulation based on the l(q) norm. We further extend our algorithm to solve a nonconvex overlapping group Lasso formulation based on the capped norm regularization, which reduces the estimation bias introduced by the convex penalty. We have performed empirical evaluations using both a synthetic and the breast cancer gene expression dataset, which consists of 8,141 genes organized into (overlapping) gene sets. Experimental results show that the proposed algorithm is more efficient than existing state-of-the-art algorithms. Results also demonstrate the effectiveness of the nonconvex formulation for overlapping group Lasso.

  12. Computational methods for molecular imaging

    CERN Document Server

    Shi, Kuangyu; Li, Shuo

    2015-01-01

    This volume contains original submissions on the development and application of molecular imaging computing. The editors invited authors to submit high-quality contributions on a wide range of topics including, but not limited to: • Image Synthesis & Reconstruction of Emission Tomography (PET, SPECT) and other Molecular Imaging Modalities • Molecular Imaging Enhancement • Data Analysis of Clinical & Pre-clinical Molecular Imaging • Multi-Modal Image Processing (PET/CT, PET/MR, SPECT/CT, etc.) • Machine Learning and Data Mining in Molecular Imaging. Molecular imaging is an evolving clinical and research discipline enabling the visualization, characterization and quantification of biological processes taking place at the cellular and subcellular levels within intact living subjects. Computational methods play an important role in the development of molecular imaging, from image synthesis to data analysis and from clinical diagnosis to therapy individualization. This work will bring readers fro...

  13. New Efficient Fourth Order Method for Solving Nonlinear Equations

    Directory of Open Access Journals (Sweden)

    Farooq Ahmad

    2013-12-01

    Full Text Available In a paper [Appl. Math. Comput., 188 (2 (2007 1587--1591], authors have suggested and analyzed a method for solving nonlinear equations. In the present work, we modified this method by using the finite difference scheme, which has a quintic convergence. We have compared this modified Halley method with some other iterative of fifth-orders convergence methods, which shows that this new method having convergence of fourth order, is efficient.

  14. An assessment of the efficiency of methods for measurement of the computed tomography dose index (CTDI) for cone beam (CBCT) dosimetry by Monte Carlo simulation.

    Science.gov (United States)

    Abuhaimed, Abdullah; J Martin, Colin; Sankaralingam, Marimuthu; J Gentle, David; McJury, Mark

    2014-11-07

    The IEC has introduced a practical approach to overcome shortcomings of the CTDI100 for measurements on wide beams employed for cone beam (CBCT) scans. This study evaluated the efficiency of this approach (CTDIIEC) for different arrangements using Monte Carlo simulation techniques, and compared CTDIIEC to the efficiency of CTDI100 for CBCT. Monte Carlo EGSnrc/BEAMnrc and EGSnrc/DOSXYZnrc codes were used to simulate the kV imaging system mounted on a Varian TrueBeam linear accelerator. The Monte Carlo model was benchmarked against experimental measurements and good agreement shown. Standard PMMA head and body phantoms with lengths 150, 600, and 900 mm were simulated. Beam widths studied ranged from 20-300 mm, and four scanning protocols using two acquisition modes were utilized. The efficiency values were calculated at the centre (εc) and periphery (εp) of the phantoms and for the weighted CTDI (εw). The efficiency values for CTDI100 were approximately constant for beam widths 20-40 mm, where εc(CTDI100), εp(CTDI100), and εw(CTDI100) were 74.7  ±  0.6%, 84.6  ±  0.3%, and 80.9  ±  0.4%, for the head phantom and 59.7  ±  0.3%, 82.1  ±  0.3%, and 74.9  ±  0.3%, for the body phantom, respectively. When beam width increased beyond 40 mm, ε(CTDI100) values fell steadily reaching ~30% at a beam width of 300 mm. In contrast, the efficiency of the CTDIIEC was approximately constant over all beam widths, demonstrating its suitability for assessment of CBCT. εc(CTDIIEC), εp(CTDIIEC), and εw(CTDIIEC) were 76.1  ±  0.9%, 85.9  ±  1.0%, and 82.2  ±  0.9% for the head phantom and 60.6  ±  0.7%, 82.8  ±  0.8%, and 75.8  ±  0.7%, for the body phantom, respectively, within 2% of ε(CTDI100) values for narrower beam widths. CTDI100,w and CTDIIEC,w underestimate CTDI∞,w by ~55% and ~18% for the head phantom and by ~56% and ~24% for the body phantom, respectively, using a clinical beam width 198 mm. The

  15. Role of computational efficiency in process simulation

    Directory of Open Access Journals (Sweden)

    Kurt Strand

    1989-07-01

    Full Text Available It is demonstrated how efficient numerical algorithms may be combined to yield a powerful environment for analysing and simulating dynamic systems. The importance of using efficient numerical algorithms is emphasized and demonstrated through examples from the petrochemical industry.

  16. Computer methods in general relativity: algebraic computing

    CERN Document Server

    Araujo, M E; Skea, J E F; Koutras, A; Krasinski, A; Hobill, D; McLenaghan, R G; Christensen, S M

    1993-01-01

    Karlhede & MacCallum [1] gave a procedure for determining the Lie algebra of the isometry group of an arbitrary pseudo-Riemannian manifold, which they intended to im- plement using the symbolic manipulation package SHEEP but never did. We have recently finished making this procedure explicit by giving an algorithm suitable for implemen- tation on a computer [2]. Specifically, we have written an algorithm for determining the isometry group of a spacetime (in four dimensions), and partially implemented this algorithm using the symbolic manipulation package CLASSI, which is an extension of SHEEP.

  17. Heat transfer study on convective–radiative semi-spherical fins with temperature-dependent properties and heat generation using efficient computational methods

    International Nuclear Information System (INIS)

    Atouei, S.A.; Hosseinzadeh, Kh.; Hatami, M.; Ghasemi, Seiyed E.; Sahebi, S.A.R.; Ganji, D.D.

    2015-01-01

    In this study, heat transfer and temperature distribution equations for semi-spherical convective–radiative porous fins are presented. Temperature-dependent heat generation, convection and radiation effects are considered and after deriving the governing equation, Least Square Method (LSM), Collocation Method (CM) and fourth order Runge-Kutta method (NUM) are applied for predicting the temperature distribution in the described fins. Results reveal that LSM has excellent agreement with numerical method, so can be suitable analytical method for solving the problem. Also, the effect of some physical parameters which are appeared in the mathematical formulation on fin surface temperature is investigated to show the effect of radiation and heat generation in a solid fin temperature. - Highlights: • Thermal analysis of a semi-spherical fin is investigated. • Collocation and Least Square Methods are applied on the problem. • Convection, radiation and heat generation is considered. • Physical results are compared to numerical outcomes.

  18. Combining computational modelling with radioisotope technology for a more cost- effective and time-efficient method of solving industrial and medical diagnostic problems

    International Nuclear Information System (INIS)

    Tu, J.Y.; Easey, J.F.; Burch, W.M.

    1997-01-01

    In this paper, some work on computational modelling for industrial operations and processes will be presented, for example, the modelling of fly-ash flow and the associated prediction of erosion in power utility boilers. The introduction and use of new formulations of encapsulated radioisotopes, currently being research at ANSTO, will open up further possibilities for the utilisation of radiotracer applications for a wider range of validation work not only in industrial but also in medical investigations. Applications of developed models to solving industrial problems will also be discussed in the paper

  19. Efficient quantum algorithm for computing n-time correlation functions.

    Science.gov (United States)

    Pedernales, J S; Di Candia, R; Egusquiza, I L; Casanova, J; Solano, E

    2014-07-11

    We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for probe and control tasks. For spinorial and fermionic systems, the reconstruction of arbitrary n-time correlation functions requires the measurement of two ancilla observables, while for bosonic variables time derivatives of the same observables are needed. Finally, we provide examples applicable to different quantum platforms in the frame of the linear response theory.

  20. Efficient Use of Preisach Hysteresis Model in Computer Aided Design

    Directory of Open Access Journals (Sweden)

    IONITA, V.

    2013-05-01

    Full Text Available The paper presents a practical detailed analysis regarding the use of the classical Preisach hysteresis model, covering all the steps, from measuring the necessary data for the model identification to the implementation in a software code for Computer Aided Design (CAD in Electrical Engineering. An efficient numerical method is proposed and the hysteresis modeling accuracy is tested on magnetic recording materials. The procedure includes the correction of the experimental data, which are used for the hysteresis model identification, taking into account the demagnetizing effect for the sample that is measured in an open-circuit device (a vibrating sample magnetometer.

  1. An efficient method for evaluating RRAM crossbar array performance

    Science.gov (United States)

    Song, Lin; Zhang, Jinyu; Chen, An; Wu, Huaqiang; Qian, He; Yu, Zhiping

    2016-06-01

    An efficient method is proposed in this paper to mitigate computational burden in resistive random access memory (RRAM) array simulation. In the worst case scenario, a 4 Mb RRAM array with line resistance is greatly reduced using this method. For 1S1R-RRAM array structures, static and statistical parameters in both reading and writing processes are simulated. Error analysis is performed to prove the reliability of the algorithm when line resistance is extremely small compared with the junction resistance. Results show that high precision is maintained even if the size of RRAM array is reduced by one thousand times, which indicates significant improvements in both computational efficiency and memory requirements.

  2. Efficient decomposition and linearization methods for the stochastic transportation problem

    International Nuclear Information System (INIS)

    Holmberg, K.

    1993-01-01

    The stochastic transportation problem can be formulated as a convex transportation problem with nonlinear objective function and linear constraints. We compare several different methods based on decomposition techniques and linearization techniques for this problem, trying to find the most efficient method or combination of methods. We discuss and test a separable programming approach, the Frank-Wolfe method with and without modifications, the new technique of mean value cross decomposition and the more well known Lagrangian relaxation with subgradient optimization, as well as combinations of these approaches. Computational tests are presented, indicating that some new combination methods are quite efficient for large scale problems. (authors) (27 refs.)

  3. Statistically and Computationally Efficient Estimating Equations for Large Spatial Datasets

    KAUST Repository

    Sun, Ying

    2014-11-07

    For Gaussian process models, likelihood based methods are often difficult to use with large irregularly spaced spatial datasets, because exact calculations of the likelihood for n observations require O(n3) operations and O(n2) memory. Various approximation methods have been developed to address the computational difficulties. In this paper, we propose new unbiased estimating equations based on score equation approximations that are both computationally and statistically efficient. We replace the inverse covariance matrix that appears in the score equations by a sparse matrix to approximate the quadratic forms, then set the resulting quadratic forms equal to their expected values to obtain unbiased estimating equations. The sparse matrix is constructed by a sparse inverse Cholesky approach to approximate the inverse covariance matrix. The statistical efficiency of the resulting unbiased estimating equations are evaluated both in theory and by numerical studies. Our methods are applied to nearly 90,000 satellite-based measurements of water vapor levels over a region in the Southeast Pacific Ocean.

  4. Statistically and Computationally Efficient Estimating Equations for Large Spatial Datasets

    KAUST Repository

    Sun, Ying; Stein, Michael L.

    2014-01-01

    For Gaussian process models, likelihood based methods are often difficult to use with large irregularly spaced spatial datasets, because exact calculations of the likelihood for n observations require O(n3) operations and O(n2) memory. Various approximation methods have been developed to address the computational difficulties. In this paper, we propose new unbiased estimating equations based on score equation approximations that are both computationally and statistically efficient. We replace the inverse covariance matrix that appears in the score equations by a sparse matrix to approximate the quadratic forms, then set the resulting quadratic forms equal to their expected values to obtain unbiased estimating equations. The sparse matrix is constructed by a sparse inverse Cholesky approach to approximate the inverse covariance matrix. The statistical efficiency of the resulting unbiased estimating equations are evaluated both in theory and by numerical studies. Our methods are applied to nearly 90,000 satellite-based measurements of water vapor levels over a region in the Southeast Pacific Ocean.

  5. Efficient Skyline Computation in Structured Peer-to-Peer Systems

    DEFF Research Database (Denmark)

    Cui, Bin; Chen, Lijiang; Xu, Linhao

    2009-01-01

    An increasing number of large-scale applications exploit peer-to-peer network architecture to provide highly scalable and flexible services. Among these applications, data management in peer-to-peer systems is one of the interesting domains. In this paper, we investigate the multidimensional...... skyline computation problem on a structured peer-to-peer network. In order to achieve low communication cost and quick response time, we utilize the iMinMax(\\theta ) method to transform high-dimensional data to one-dimensional value and distribute the data in a structured peer-to-peer network called BATON....... Thereafter, we propose a progressive algorithm with adaptive filter technique for efficient skyline computation in this environment. We further discuss some optimization techniques for the algorithm, and summarize the key principles of our algorithm into a query routing protocol with detailed analysis...

  6. Efficient Parallel Engineering Computing on Linux Workstations

    Science.gov (United States)

    Lou, John Z.

    2010-01-01

    A C software module has been developed that creates lightweight processes (LWPs) dynamically to achieve parallel computing performance in a variety of engineering simulation and analysis applications to support NASA and DoD project tasks. The required interface between the module and the application it supports is simple, minimal and almost completely transparent to the user applications, and it can achieve nearly ideal computing speed-up on multi-CPU engineering workstations of all operating system platforms. The module can be integrated into an existing application (C, C++, Fortran and others) either as part of a compiled module or as a dynamically linked library (DLL).

  7. Computationally efficient prediction of area per lipid

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.

    2014-01-01

    dynamics increases exponentially with respect to temperature. APL dependence on temperature is linear over an entire temperature range. I provide numerical evidence that thermal expansion coefficient of a lipid bilayer can be computed at elevated temperatures and extrapolated to the temperature of interest...

  8. Efficient multigrid computation of steady hypersonic flows

    NARCIS (Netherlands)

    Koren, B.; Hemker, P.W.; Murthy, T.K.S.

    1991-01-01

    In steady hypersonic flow computations, Newton iteration as a local relaxation procedure and nonlinear multigrid iteration as an acceleration procedure may both easily fail. In the present chapter, same remedies are presented for overcoming these problems. The equations considered are the steady,

  9. Efficient Computations and Representations of Visible Surfaces.

    Science.gov (United States)

    1979-12-01

    position as stated. The smooth contour generator may lie along a sharp ridge, for instance. Richards & Stevens -28- 6m lace contout s ?S ,.......... ceoonec...From understanding computation to understanding neural circuitry. Neurosci. Res. Prog. Bull. 13. 470-488. Metelli, F. 1970 An algebraic development of

  10. Synthesis of Efficient Structures for Concurrent Computation.

    Science.gov (United States)

    1983-10-01

    formal presentation of these techniques, called virtualisation and aggregation, can be found n [King-83$. 113.2 Census Functions Trees perform broadcast... Functions .. .. .. .. ... .... ... ... .... ... ... ....... 6 4 User-Assisted Aggregation .. .. .. .. ... ... ... .... ... .. .......... 6 5 Parallel...6. Simple Parallel Structure for Broadcasting .. .. .. .. .. . ... .. . .. . .... 4 Figure 7. Internal Structure of a Prefix Computation Network

  11. Computational methods for industrial radiation measurement applications

    International Nuclear Information System (INIS)

    Gardner, R.P.; Guo, P.; Ao, Q.

    1996-01-01

    Computational methods have been used with considerable success to complement radiation measurements in solving a wide range of industrial problems. The almost exponential growth of computer capability and applications in the last few years leads to a open-quotes black boxclose quotes mentality for radiation measurement applications. If a black box is defined as any radiation measurement device that is capable of measuring the parameters of interest when a wide range of operating and sample conditions may occur, then the development of computational methods for industrial radiation measurement applications should now be focused on the black box approach and the deduction of properties of interest from the response with acceptable accuracy and reasonable efficiency. Nowadays, increasingly better understanding of radiation physical processes, more accurate and complete fundamental physical data, and more advanced modeling and software/hardware techniques have made it possible to make giant strides in that direction with new ideas implemented with computer software. The Center for Engineering Applications of Radioisotopes (CEAR) at North Carolina State University has been working on a variety of projects in the area of radiation analyzers and gauges for accomplishing this for quite some time, and they are discussed here with emphasis on current accomplishments

  12. Efficient Computer Implementations of Fast Fourier Transforms.

    Science.gov (United States)

    1980-12-01

    fit in computer? Yes, continue (9) Determine fastest algorithm between WFTA and PFA from Table 4.6. For N=420, WFTA PFA Mult 1296 2528 Add 11352 10956...real adds = 24tN/4 + 2(3tN/4) = 15tN/2 (G.8) 260 All odd prime C<ictors ciual to or (,rater than 5 iso the general transform section. Based on the

  13. The Efficient Use of Vector Computers with Emphasis on Computational Fluid Dynamics : a GAMM-Workshop

    CERN Document Server

    Gentzsch, Wolfgang

    1986-01-01

    The GAMM Committee for Numerical Methods in Fluid Mechanics organizes workshops which should bring together experts of a narrow field of computational fluid dynamics (CFD) to exchange ideas and experiences in order to speed-up the development in this field. In this sense it was suggested that a workshop should treat the solution of CFD problems on vector computers. Thus we organized a workshop with the title "The efficient use of vector computers with emphasis on computational fluid dynamics". The workshop took place at the Computing Centre of the University of Karlsruhe, March 13-15,1985. The participation had been restricted to 22 people of 7 countries. 18 papers have been presented. In the announcement of the workshop we wrote: "Fluid mechanics has actively stimulated the development of superfast vector computers like the CRAY's or CYBER 205. Now these computers on their turn stimulate the development of new algorithms which result in a high degree of vectorization (sca1ar/vectorized execution-time). But w...

  14. Efficient solution method for optimal control of nuclear systems

    International Nuclear Information System (INIS)

    Naser, J.A.; Chambre, P.L.

    1981-01-01

    To improve the utilization of existing fuel sources, the use of optimization techniques is becoming more important. A technique for solving systems of coupled ordinary differential equations with initial, boundary, and/or intermediate conditions is given. This method has a number of inherent advantages over existing techniques as well as being efficient in terms of computer time and space requirements. An example of computing the optimal control for a spatially dependent reactor model with and without temperature feedback is given. 10 refs

  15. ASSESSMENT OF THE EFFICIENCY OF DISINFECTION METHOD ...

    African Journals Online (AJOL)

    eobe

    ABSTRACT. The efficiencies of three disinfection methods namely boiling, water guard and pur purifier were assessed. ... Water is an indispensable resource for supporting life systems [2- ...... developing country context: improving decisions.

  16. Towards Cost-efficient Sampling Methods

    OpenAIRE

    Peng, Luo; Yongli, Li; Chong, Wu

    2014-01-01

    The sampling method has been paid much attention in the field of complex network in general and statistical physics in particular. This paper presents two new sampling methods based on the perspective that a small part of vertices with high node degree can possess the most structure information of a network. The two proposed sampling methods are efficient in sampling the nodes with high degree. The first new sampling method is improved on the basis of the stratified random sampling method and...

  17. Efficient forced vibration reanalysis method for rotating electric machines

    Science.gov (United States)

    Saito, Akira; Suzuki, Hiromitsu; Kuroishi, Masakatsu; Nakai, Hideo

    2015-01-01

    Rotating electric machines are subject to forced vibration by magnetic force excitation with wide-band frequency spectrum that are dependent on the operating conditions. Therefore, when designing the electric machines, it is inevitable to compute the vibration response of the machines at various operating conditions efficiently and accurately. This paper presents an efficient frequency-domain vibration analysis method for the electric machines. The method enables the efficient re-analysis of the vibration response of electric machines at various operating conditions without the necessity to re-compute the harmonic response by finite element analyses. Theoretical background of the proposed method is provided, which is based on the modal reduction of the magnetic force excitation by a set of amplitude-modulated standing-waves. The method is applied to the forced response vibration of the interior permanent magnet motor at a fixed operating condition. The results computed by the proposed method agree very well with those computed by the conventional harmonic response analysis by the FEA. The proposed method is then applied to the spin-up test condition to demonstrate its applicability to various operating conditions. It is observed that the proposed method can successfully be applied to the spin-up test conditions, and the measured dominant frequency peaks in the frequency response can be well captured by the proposed approach.

  18. Efficient numerical method for district heating system hydraulics

    International Nuclear Information System (INIS)

    Stevanovic, Vladimir D.; Prica, Sanja; Maslovaric, Blazenka; Zivkovic, Branislav; Nikodijevic, Srdjan

    2007-01-01

    An efficient method for numerical simulation and analyses of the steady state hydraulics of complex pipeline networks is presented. It is based on the loop model of the network and the method of square roots for solving the system of linear equations. The procedure is presented in the comprehensive mathematical form that could be straightforwardly programmed into a computer code. An application of the method to energy efficiency analyses of a real complex district heating system is demonstrated. The obtained results show a potential for electricity savings in pumps operation. It is shown that the method is considerably more effective than the standard Hardy Cross method still widely used in engineering practice. Because of the ease of implementation and high efficiency, the method presented in this paper is recommended for hydraulic steady state calculations of complex networks

  19. Delamination detection using methods of computational intelligence

    Science.gov (United States)

    Ihesiulor, Obinna K.; Shankar, Krishna; Zhang, Zhifang; Ray, Tapabrata

    2012-11-01

    Abstract Reliable delamination prediction scheme is indispensable in order to prevent potential risks of catastrophic failures in composite structures. The existence of delaminations changes the vibration characteristics of composite laminates and hence such indicators can be used to quantify the health characteristics of laminates. An approach for online health monitoring of in-service composite laminates is presented in this paper that relies on methods based on computational intelligence. Typical changes in the observed vibration characteristics (i.e. change in natural frequencies) are considered as inputs to identify the existence, location and magnitude of delaminations. The performance of the proposed approach is demonstrated using numerical models of composite laminates. Since this identification problem essentially involves the solution of an optimization problem, the use of finite element (FE) methods as the underlying tool for analysis turns out to be computationally expensive. A surrogate assisted optimization approach is hence introduced to contain the computational time within affordable limits. An artificial neural network (ANN) model with Bayesian regularization is used as the underlying approximation scheme while an improved rate of convergence is achieved using a memetic algorithm. However, building of ANN surrogate models usually requires large training datasets. K-means clustering is effectively employed to reduce the size of datasets. ANN is also used via inverse modeling to determine the position, size and location of delaminations using changes in measured natural frequencies. The results clearly highlight the efficiency and the robustness of the approach.

  20. Computational Methods and Function Theory

    CERN Document Server

    Saff, Edward; Salinas, Luis; Varga, Richard

    1990-01-01

    The volume is devoted to the interaction of modern scientific computation and classical function theory. Many problems in pure and more applied function theory can be tackled using modern computing facilities: numerically as well as in the sense of computer algebra. On the other hand, computer algorithms are often based on complex function theory, and dedicated research on their theoretical foundations can lead to great enhancements in performance. The contributions - original research articles, a survey and a collection of problems - cover a broad range of such problems.

  1. Efficiency Test Method for Electric Vehicle Chargers

    DEFF Research Database (Denmark)

    Kieldsen, Andreas; Thingvad, Andreas; Martinenas, Sergejus

    2016-01-01

    This paper investigates different methods for measuring the charger efficiency of mass produced electric vehicles (EVs), in order to compare the different models. The consumers have low attention to the loss in the charger though the impact on the driving cost is high. It is not a high priority...... different vehicles. A unified method for testing the efficiency of the charger in EVs, without direct access to the component, is presented. The method is validated through extensive tests of the models Renault Zoe, Nissan LEAF and Peugeot iOn. The results show a loss between 15 % and 40 %, which is far...

  2. Efficient Graph Computation for Node2Vec

    OpenAIRE

    Zhou, Dongyan; Niu, Songjie; Chen, Shimin

    2018-01-01

    Node2Vec is a state-of-the-art general-purpose feature learning method for network analysis. However, current solutions cannot run Node2Vec on large-scale graphs with billions of vertices and edges, which are common in real-world applications. The existing distributed Node2Vec on Spark incurs significant space and time overhead. It runs out of memory even for mid-sized graphs with millions of vertices. Moreover, it considers at most 30 edges for every vertex in generating random walks, causin...

  3. Energy efficiency of computer power supply units - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Aebischer, B. [cepe - Centre for Energy Policy and Economics, Swiss Federal Institute of Technology Zuerich, Zuerich (Switzerland); Huser, H. [Encontrol GmbH, Niederrohrdorf (Switzerland)

    2002-11-15

    This final report for the Swiss Federal Office of Energy (SFOE) takes a look at the efficiency of computer power supply units, which decreases rapidly during average computer use. The background and the purpose of the project are examined. The power supplies for personal computers are discussed and the testing arrangement used is described. Efficiency, power-factor and operating points of the units are examined. Potentials for improvement and measures to be taken are discussed. Also, action to be taken by those involved in the design and operation of such power units is proposed. Finally, recommendations for further work are made.

  4. Computational methods for reversed-field equilibrium

    International Nuclear Information System (INIS)

    Boyd, J.K.; Auerbach, S.P.; Willmann, P.A.; Berk, H.L.; McNamara, B.

    1980-01-01

    Investigating the temporal evolution of reversed-field equilibrium caused by transport processes requires the solution of the Grad-Shafranov equation and computation of field-line-averaged quantities. The technique for field-line averaging and the computation of the Grad-Shafranov equation are presented. Application of Green's function to specify the Grad-Shafranov equation boundary condition is discussed. Hill's vortex formulas used to verify certain computations are detailed. Use of computer software to implement computational methods is described

  5. Computing with memory for energy-efficient robust systems

    CERN Document Server

    Paul, Somnath

    2013-01-01

    This book analyzes energy and reliability as major challenges faced by designers of computing frameworks in the nanometer technology regime.  The authors describe the existing solutions to address these challenges and then reveal a new reconfigurable computing platform, which leverages high-density nanoscale memory for both data storage and computation to maximize the energy-efficiency and reliability. The energy and reliability benefits of this new paradigm are illustrated and the design challenges are discussed. Various hardware and software aspects of this exciting computing paradigm are de

  6. Toward cost-efficient sampling methods

    Science.gov (United States)

    Luo, Peng; Li, Yongli; Wu, Chong; Zhang, Guijie

    2015-09-01

    The sampling method has been paid much attention in the field of complex network in general and statistical physics in particular. This paper proposes two new sampling methods based on the idea that a small part of vertices with high node degree could possess the most structure information of a complex network. The two proposed sampling methods are efficient in sampling high degree nodes so that they would be useful even if the sampling rate is low, which means cost-efficient. The first new sampling method is developed on the basis of the widely used stratified random sampling (SRS) method and the second one improves the famous snowball sampling (SBS) method. In order to demonstrate the validity and accuracy of two new sampling methods, we compare them with the existing sampling methods in three commonly used simulation networks that are scale-free network, random network, small-world network, and also in two real networks. The experimental results illustrate that the two proposed sampling methods perform much better than the existing sampling methods in terms of achieving the true network structure characteristics reflected by clustering coefficient, Bonacich centrality and average path length, especially when the sampling rate is low.

  7. Computer Anti-forensics Methods and their Impact on Computer Forensic Investigation

    OpenAIRE

    Pajek, Przemyslaw; Pimenidis, Elias

    2009-01-01

    Electronic crime is very difficult to investigate and prosecute, mainly\\ud due to the fact that investigators have to build their cases based on artefacts left\\ud on computer systems. Nowadays, computer criminals are aware of computer forensics\\ud methods and techniques and try to use countermeasure techniques to efficiently\\ud impede the investigation processes. In many cases investigation with\\ud such countermeasure techniques in place appears to be too expensive, or too\\ud time consuming t...

  8. Efficient Methods of Estimating Switchgrass Biomass Supplies

    Science.gov (United States)

    Switchgrass (Panicum virgatum L.) is being developed as a biofuel feedstock for the United States. Efficient and accurate methods to estimate switchgrass biomass feedstock supply within a production area will be required by biorefineries. Our main objective was to determine the effectiveness of in...

  9. An efficient unstructured WENO method for supersonic reactive flows

    Science.gov (United States)

    Zhao, Wen-Geng; Zheng, Hong-Wei; Liu, Feng-Jun; Shi, Xiao-Tian; Gao, Jun; Hu, Ning; Lv, Meng; Chen, Si-Cong; Zhao, Hong-Da

    2018-03-01

    An efficient high-order numerical method for supersonic reactive flows is proposed in this article. The reactive source term and convection term are solved separately by splitting scheme. In the reaction step, an adaptive time-step method is presented, which can improve the efficiency greatly. In the convection step, a third-order accurate weighted essentially non-oscillatory (WENO) method is adopted to reconstruct the solution in the unstructured grids. Numerical results show that our new method can capture the correct propagation speed of the detonation wave exactly even in coarse grids, while high order accuracy can be achieved in the smooth region. In addition, the proposed adaptive splitting method can reduce the computational cost greatly compared with the traditional splitting method.

  10. The peak efficiency calibration of volume source using 152Eu point source in computer

    International Nuclear Information System (INIS)

    Shen Tingyun; Qian Jianfu; Nan Qinliang; Zhou Yanguo

    1997-01-01

    The author describes the method of the peak efficiency calibration of volume source by means of 152 Eu point source for HPGe γ spectrometer. The peak efficiency can be computed by Monte Carlo simulation, after inputting parameter of detector. The computation results are in agreement with the experimental results with an error of +-3.8%, with an exception one is about +-7.4%

  11. Novel methods in computational finance

    CERN Document Server

    Günther, Michael; Maten, E

    2017-01-01

    This book discusses the state-of-the-art and open problems in computational finance. It presents a collection of research outcomes and reviews of the work from the STRIKE project, an FP7 Marie Curie Initial Training Network (ITN) project in which academic partners trained early-stage researchers in close cooperation with a broader range of associated partners, including from the private sector. The aim of the project was to arrive at a deeper understanding of complex (mostly nonlinear) financial models and to develop effective and robust numerical schemes for solving linear and nonlinear problems arising from the mathematical theory of pricing financial derivatives and related financial products. This was accomplished by means of financial modelling, mathematical analysis and numerical simulations, optimal control techniques and validation of models. In recent years the computational complexity of mathematical models employed in financial mathematics has witnessed tremendous growth. Advanced numerical techni...

  12. COMPUTER METHODS OF GENETIC ANALYSIS.

    Directory of Open Access Journals (Sweden)

    A. L. Osipov

    2017-02-01

    Full Text Available The basic statistical methods used in conducting the genetic analysis of human traits. We studied by segregation analysis, linkage analysis and allelic associations. Developed software for the implementation of these methods support.

  13. A computational method for sharp interface advection

    Science.gov (United States)

    Bredmose, Henrik; Jasak, Hrvoje

    2016-01-01

    We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face–interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM® extension and is published as open source. PMID:28018619

  14. A computational method for sharp interface advection.

    Science.gov (United States)

    Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

    2016-11-01

    We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face-interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM ® extension and is published as open source.

  15. Computational methods in drug discovery

    OpenAIRE

    Sumudu P. Leelananda; Steffen Lindert

    2016-01-01

    The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery project...

  16. Positive Wigner functions render classical simulation of quantum computation efficient.

    Science.gov (United States)

    Mari, A; Eisert, J

    2012-12-07

    We show that quantum circuits where the initial state and all the following quantum operations can be represented by positive Wigner functions can be classically efficiently simulated. This is true both for continuous-variable as well as discrete variable systems in odd prime dimensions, two cases which will be treated on entirely the same footing. Noting the fact that Clifford and Gaussian operations preserve the positivity of the Wigner function, our result generalizes the Gottesman-Knill theorem. Our algorithm provides a way of sampling from the output distribution of a computation or a simulation, including the efficient sampling from an approximate output distribution in the case of sampling imperfections for initial states, gates, or measurements. In this sense, this work highlights the role of the positive Wigner function as separating classically efficiently simulable systems from those that are potentially universal for quantum computing and simulation, and it emphasizes the role of negativity of the Wigner function as a computational resource.

  17. Hybrid Monte Carlo methods in computational finance

    NARCIS (Netherlands)

    Leitao Rodriguez, A.

    2017-01-01

    Monte Carlo methods are highly appreciated and intensively employed in computational finance in the context of financial derivatives valuation or risk management. The method offers valuable advantages like flexibility, easy interpretation and straightforward implementation. Furthermore, the

  18. Efficiently computing exact geodesic loops within finite steps.

    Science.gov (United States)

    Xin, Shi-Qing; He, Ying; Fu, Chi-Wing

    2012-06-01

    Closed geodesics, or geodesic loops, are crucial to the study of differential topology and differential geometry. Although the existence and properties of closed geodesics on smooth surfaces have been widely studied in mathematics community, relatively little progress has been made on how to compute them on polygonal surfaces. Most existing algorithms simply consider the mesh as a graph and so the resultant loops are restricted only on mesh edges, which are far from the actual geodesics. This paper is the first to prove the existence and uniqueness of geodesic loop restricted on a closed face sequence; it contributes also with an efficient algorithm to iteratively evolve an initial closed path on a given mesh into an exact geodesic loop within finite steps. Our proposed algorithm takes only an O(k) space complexity and an O(mk) time complexity (experimentally), where m is the number of vertices in the region bounded by the initial loop and the resultant geodesic loop, and k is the average number of edges in the edge sequences that the evolving loop passes through. In contrast to the existing geodesic curvature flow methods which compute an approximate geodesic loop within a predefined threshold, our method is exact and can apply directly to triangular meshes without needing to solve any differential equation with a numerical solver; it can run at interactive speed, e.g., in the order of milliseconds, for a mesh with around 50K vertices, and hence, significantly outperforms existing algorithms. Actually, our algorithm could run at interactive speed even for larger meshes. Besides the complexity of the input mesh, the geometric shape could also affect the number of evolving steps, i.e., the performance. We motivate our algorithm with an interactive shape segmentation example shown later in the paper.

  19. Advanced computational electromagnetic methods and applications

    CERN Document Server

    Li, Wenxing; Elsherbeni, Atef; Rahmat-Samii, Yahya

    2015-01-01

    This new resource covers the latest developments in computational electromagnetic methods, with emphasis on cutting-edge applications. This book is designed to extend existing literature to the latest development in computational electromagnetic methods, which are of interest to readers in both academic and industrial areas. The topics include advanced techniques in MoM, FEM and FDTD, spectral domain method, GPU and Phi hardware acceleration, metamaterials, frequency and time domain integral equations, and statistics methods in bio-electromagnetics.

  20. Discrete linear canonical transform computation by adaptive method.

    Science.gov (United States)

    Zhang, Feng; Tao, Ran; Wang, Yue

    2013-07-29

    The linear canonical transform (LCT) describes the effect of quadratic phase systems on a wavefield and generalizes many optical transforms. In this paper, the computation method for the discrete LCT using the adaptive least-mean-square (LMS) algorithm is presented. The computation approaches of the block-based discrete LCT and the stream-based discrete LCT using the LMS algorithm are derived, and the implementation structures of these approaches by the adaptive filter system are considered. The proposed computation approaches have the inherent parallel structures which make them suitable for efficient VLSI implementations, and are robust to the propagation of possible errors in the computation process.

  1. Computational Methods for Biomolecular Electrostatics

    Science.gov (United States)

    Dong, Feng; Olsen, Brett; Baker, Nathan A.

    2008-01-01

    An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions. PMID:17964951

  2. Computational predictive methods for fracture and fatigue

    Science.gov (United States)

    Cordes, J.; Chang, A. T.; Nelson, N.; Kim, Y.

    1994-09-01

    The damage-tolerant design philosophy as used by aircraft industries enables aircraft components and aircraft structures to operate safely with minor damage, small cracks, and flaws. Maintenance and inspection procedures insure that damages developed during service remain below design values. When damage is found, repairs or design modifications are implemented and flight is resumed. Design and redesign guidelines, such as military specifications MIL-A-83444, have successfully reduced the incidence of damage and cracks. However, fatigue cracks continue to appear in aircraft well before the design life has expired. The F16 airplane, for instance, developed small cracks in the engine mount, wing support, bulk heads, the fuselage upper skin, the fuel shelf joints, and along the upper wings. Some cracks were found after 600 hours of the 8000 hour design service life and design modifications were required. Tests on the F16 plane showed that the design loading conditions were close to the predicted loading conditions. Improvements to analytic methods for predicting fatigue crack growth adjacent to holes, when multiple damage sites are present, and in corrosive environments would result in more cost-effective designs, fewer repairs, and fewer redesigns. The overall objective of the research described in this paper is to develop, verify, and extend the computational efficiency of analysis procedures necessary for damage tolerant design. This paper describes an elastic/plastic fracture method and an associated fatigue analysis method for damage tolerant design. Both methods are unique in that material parameters such as fracture toughness, R-curve data, and fatigue constants are not required. The methods are implemented with a general-purpose finite element package. Several proof-of-concept examples are given. With further development, the methods could be extended for analysis of multi-site damage, creep-fatigue, and corrosion fatigue problems.

  3. On the efficient parallel computation of Legendre transforms

    NARCIS (Netherlands)

    Inda, M.A.; Bisseling, R.H.; Maslen, D.K.

    2001-01-01

    In this article, we discuss a parallel implementation of efficient algorithms for computation of Legendre polynomial transforms and other orthogonal polynomial transforms. We develop an approach to the Driscoll-Healy algorithm using polynomial arithmetic and present experimental results on the

  4. On the efficient parallel computation of Legendre transforms

    NARCIS (Netherlands)

    Inda, M.A.; Bisseling, R.H.; Maslen, D.K.

    1999-01-01

    In this article we discuss a parallel implementation of efficient algorithms for computation of Legendre polynomial transforms and other orthogonal polynomial transforms. We develop an approach to the Driscoll-Healy algorithm using polynomial arithmetic and present experimental results on the

  5. Computationally efficient clustering of audio-visual meeting data

    NARCIS (Netherlands)

    Hung, H.; Friedland, G.; Yeo, C.; Shao, L.; Shan, C.; Luo, J.; Etoh, M.

    2010-01-01

    This chapter presents novel computationally efficient algorithms to extract semantically meaningful acoustic and visual events related to each of the participants in a group discussion using the example of business meeting recordings. The recording setup involves relatively few audio-visual sensors,

  6. Octopus: embracing the energy efficiency of handheld multimedia computers

    NARCIS (Netherlands)

    Havinga, Paul J.M.; Smit, Gerardus Johannes Maria

    1999-01-01

    In the MOBY DICK project we develop and define the architecture of a new generation of mobile hand-held computers called Mobile Digital Companions. The Companions must meet several major requirements: high performance, energy efficient, a notion of Quality of Service (QoS), small size, and low

  7. DASPfind: new efficient method to predict drug–target interactions

    KAUST Repository

    Ba Alawi, Wail

    2016-03-16

    Background Identification of novel drug–target interactions (DTIs) is important for drug discovery. Experimental determination of such DTIs is costly and time consuming, hence it necessitates the development of efficient computational methods for the accurate prediction of potential DTIs. To-date, many computational methods have been proposed for this purpose, but they suffer the drawback of a high rate of false positive predictions. Results Here, we developed a novel computational DTI prediction method, DASPfind. DASPfind uses simple paths of particular lengths inferred from a graph that describes DTIs, similarities between drugs, and similarities between the protein targets of drugs. We show that on average, over the four gold standard DTI datasets, DASPfind significantly outperforms other existing methods when the single top-ranked predictions are considered, resulting in 46.17 % of these predictions being correct, and it achieves 49.22 % correct single top ranked predictions when the set of all DTIs for a single drug is tested. Furthermore, we demonstrate that our method is best suited for predicting DTIs in cases of drugs with no known targets or with few known targets. We also show the practical use of DASPfind by generating novel predictions for the Ion Channel dataset and validating them manually. Conclusions DASPfind is a computational method for finding reliable new interactions between drugs and proteins. We show over six different DTI datasets that DASPfind outperforms other state-of-the-art methods when the single top-ranked predictions are considered, or when a drug with no known targets or with few known targets is considered. We illustrate the usefulness and practicality of DASPfind by predicting novel DTIs for the Ion Channel dataset. The validated predictions suggest that DASPfind can be used as an efficient method to identify correct DTIs, thus reducing the cost of necessary experimental verifications in the process of drug discovery. DASPfind

  8. On efficiently computing multigroup multi-layer neutron reflection and transmission conditions

    International Nuclear Information System (INIS)

    Abreu, Marcos P. de

    2007-01-01

    In this article, we present an algorithm for efficient computation of multigroup discrete ordinates neutron reflection and transmission conditions, which replace a multi-layered boundary region in neutron multiplication eigenvalue computations with no spatial truncation error. In contrast to the independent layer-by-layer algorithm considered thus far in our computations, the algorithm here is based on an inductive approach developed by the present author for deriving neutron reflection and transmission conditions for a nonactive boundary region with an arbitrary number of arbitrarily thick layers. With this new algorithm, we were able to increase significantly the computational efficiency of our spectral diamond-spectral Green's function method for solving multigroup neutron multiplication eigenvalue problems with multi-layered boundary regions. We provide comparative results for a two-group reactor core model to illustrate the increased efficiency of our spectral method, and we conclude this article with a number of general remarks. (author)

  9. An Efficient Vital Area Identification Method

    International Nuclear Information System (INIS)

    Jung, Woo Sik

    2017-01-01

    A new Vital Area Identification (VAI) method was developed in this study for minimizing the burden of VAI procedure. It was accomplished by performing simplification of sabotage event trees or Probabilistic Safety Assessment (PSA) event trees at the very first stage of VAI procedure. Target sets and prevention sets are calculated from the sabotage fault tree. The rooms in the shortest (most economical) prevention set are selected and protected as vital areas. All physical protection is emphasized to protect these vital areas. All rooms in the protected area, the sabotage of which could lead to core damage, should be incorporated into sabotage fault tree. So, sabotage fault tree development is a very difficult task that requires high engineering costs. IAEA published INFCIRC/225/Rev.5 in 2011 which includes principal international guidelines for the physical protection of nuclear material and nuclear installations. A new efficient VAI method was developed and demonstrated in this study. Since this method drastically reduces VAI problem size, it provides very quick and economical VAI procedure. A consistent and integrated VAI procedure had been developed by taking advantage of PSA results, and more efficient VAI method was further developed in this study by inserting PSA event tree simplification at the initial stage of VAI procedure.

  10. Computational methods in power system analysis

    CERN Document Server

    Idema, Reijer

    2014-01-01

    This book treats state-of-the-art computational methods for power flow studies and contingency analysis. In the first part the authors present the relevant computational methods and mathematical concepts. In the second part, power flow and contingency analysis are treated. Furthermore, traditional methods to solve such problems are compared to modern solvers, developed using the knowledge of the first part of the book. Finally, these solvers are analyzed both theoretically and experimentally, clearly showing the benefits of the modern approach.

  11. Computational methods for data evaluation and assimilation

    CERN Document Server

    Cacuci, Dan Gabriel

    2013-01-01

    Data evaluation and data combination require the use of a wide range of probability theory concepts and tools, from deductive statistics mainly concerning frequencies and sample tallies to inductive inference for assimilating non-frequency data and a priori knowledge. Computational Methods for Data Evaluation and Assimilation presents interdisciplinary methods for integrating experimental and computational information. This self-contained book shows how the methods can be applied in many scientific and engineering areas. After presenting the fundamentals underlying the evaluation of experiment

  12. Class of reconstructed discontinuous Galerkin methods in computational fluid dynamics

    International Nuclear Information System (INIS)

    Luo, Hong; Xia, Yidong; Nourgaliev, Robert

    2011-01-01

    A class of reconstructed discontinuous Galerkin (DG) methods is presented to solve compressible flow problems on arbitrary grids. The idea is to combine the efficiency of the reconstruction methods in finite volume methods and the accuracy of the DG methods to obtain a better numerical algorithm in computational fluid dynamics. The beauty of the resulting reconstructed discontinuous Galerkin (RDG) methods is that they provide a unified formulation for both finite volume and DG methods, and contain both classical finite volume and standard DG methods as two special cases of the RDG methods, and thus allow for a direct efficiency comparison. Both Green-Gauss and least-squares reconstruction methods and a least-squares recovery method are presented to obtain a quadratic polynomial representation of the underlying linear discontinuous Galerkin solution on each cell via a so-called in-cell reconstruction process. The devised in-cell reconstruction is aimed to augment the accuracy of the discontinuous Galerkin method by increasing the order of the underlying polynomial solution. These three reconstructed discontinuous Galerkin methods are used to compute a variety of compressible flow problems on arbitrary meshes to assess their accuracy. The numerical experiments demonstrate that all three reconstructed discontinuous Galerkin methods can significantly improve the accuracy of the underlying second-order DG method, although the least-squares reconstructed DG method provides the best performance in terms of both accuracy, efficiency, and robustness. (author)

  13. Efficient Pruning Method for Ensemble Self-Generating Neural Networks

    Directory of Open Access Journals (Sweden)

    Hirotaka Inoue

    2003-12-01

    Full Text Available Recently, multiple classifier systems (MCS have been used for practical applications to improve classification accuracy. Self-generating neural networks (SGNN are one of the suitable base-classifiers for MCS because of their simple setting and fast learning. However, the computation cost of the MCS increases in proportion to the number of SGNN. In this paper, we propose an efficient pruning method for the structure of the SGNN in the MCS. We compare the pruned MCS with two sampling methods. Experiments have been conducted to compare the pruned MCS with an unpruned MCS, the MCS based on C4.5, and k-nearest neighbor method. The results show that the pruned MCS can improve its classification accuracy as well as reducing the computation cost.

  14. Computationally Efficient Nonlinear Bell Inequalities for Quantum Networks

    Science.gov (United States)

    Luo, Ming-Xing

    2018-04-01

    The correlations in quantum networks have attracted strong interest with new types of violations of the locality. The standard Bell inequalities cannot characterize the multipartite correlations that are generated by multiple sources. The main problem is that no computationally efficient method is available for constructing useful Bell inequalities for general quantum networks. In this work, we show a significant improvement by presenting new, explicit Bell-type inequalities for general networks including cyclic networks. These nonlinear inequalities are related to the matching problem of an equivalent unweighted bipartite graph that allows constructing a polynomial-time algorithm. For the quantum resources consisting of bipartite entangled pure states and generalized Greenberger-Horne-Zeilinger (GHZ) states, we prove the generic nonmultilocality of quantum networks with multiple independent observers using new Bell inequalities. The violations are maximal with respect to the presented Tsirelson's bound for Einstein-Podolsky-Rosen states and GHZ states. Moreover, these violations hold for Werner states or some general noisy states. Our results suggest that the presented Bell inequalities can be used to characterize experimental quantum networks.

  15. Defect correction and multigrid for an efficient and accurate computation of airfoil flows

    NARCIS (Netherlands)

    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

  16. A stochastic method for computing hadronic matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Alexandrou, Constantia [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus). Computational-based Science and Technology Research Center; Dinter, Simon; Drach, Vincent [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Jansen, Karl [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Hadjiyiannakou, Kyriakos [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Renner, Dru B. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Collaboration: European Twisted Mass Collaboration

    2013-02-15

    We present a stochastic method for the calculation of baryon three-point functions that is more versatile compared to the typically used sequential method. We analyze the scaling of the error of the stochastically evaluated three-point function with the lattice volume and find a favorable signal-to-noise ratio suggesting that our stochastic method can be used efficiently at large volumes to compute hadronic matrix elements.

  17. An Efficient Approach for Identifying Stable Lobes with Discretization Method

    Directory of Open Access Journals (Sweden)

    Baohai Wu

    2013-01-01

    Full Text Available This paper presents a new approach for quick identification of chatter stability lobes with discretization method. Firstly, three different kinds of stability regions are defined: absolute stable region, valid region, and invalid region. Secondly, while identifying the chatter stability lobes, three different regions within the chatter stability lobes are identified with relatively large time intervals. Thirdly, stability boundary within the valid regions is finely calculated to get exact chatter stability lobes. The proposed method only needs to test a small portion of spindle speed and cutting depth set; about 89% computation time is savedcompared with full discretization method. It spends only about10 minutes to get exact chatter stability lobes. Since, based on discretization method, the proposed method can be used for different immersion cutting including low immersion cutting process, the proposed method can be directly implemented in the workshop to promote machining parameters selection efficiency.

  18. Efficient Load Scheduling Method For Power Management

    Directory of Open Access Journals (Sweden)

    Vijo M Joy

    2015-08-01

    Full Text Available An efficient load scheduling method to meet varying power supply needs is presented in this paper. At peak load times the power generation system fails due to its instability. Traditionally we use load shedding process. In load shedding process disconnect the unnecessary and extra loads. The proposed method overcomes this problem by scheduling the load based on the requirement. Artificial neural networks are used for this optimal load scheduling process. For generate economic scheduling artificial neural network has been used because generation of power from each source is economically different. In this the total load required is the inputs of this network and the power generation from each source and power losses at the time of transmission are the output of the neural network. Training and programming of the artificial neural networks are done using MATLAB.

  19. Efficient protein structure search using indexing methods.

    Science.gov (United States)

    Kim, Sungchul; Sael, Lee; Yu, Hwanjo

    2013-01-01

    Understanding functions of proteins is one of the most important challenges in many studies of biological processes. The function of a protein can be predicted by analyzing the functions of structurally similar proteins, thus finding structurally similar proteins accurately and efficiently from a large set of proteins is crucial. A protein structure can be represented as a vector by 3D-Zernike Descriptor (3DZD) which compactly represents the surface shape of the protein tertiary structure. This simplified representation accelerates the searching process. However, computing the similarity of two protein structures is still computationally expensive, thus it is hard to efficiently process many simultaneous requests of structurally similar protein search. This paper proposes indexing techniques which substantially reduce the search time to find structurally similar proteins. In particular, we first exploit two indexing techniques, i.e., iDistance and iKernel, on the 3DZDs. After that, we extend the techniques to further improve the search speed for protein structures. The extended indexing techniques build and utilize an reduced index constructed from the first few attributes of 3DZDs of protein structures. To retrieve top-k similar structures, top-10 × k similar structures are first found using the reduced index, and top-k structures are selected among them. We also modify the indexing techniques to support θ-based nearest neighbor search, which returns data points less than θ to the query point. The results show that both iDistance and iKernel significantly enhance the searching speed. In top-k nearest neighbor search, the searching time is reduced 69.6%, 77%, 77.4% and 87.9%, respectively using iDistance, iKernel, the extended iDistance, and the extended iKernel. In θ-based nearest neighbor serach, the searching time is reduced 80%, 81%, 95.6% and 95.6% using iDistance, iKernel, the extended iDistance, and the extended iKernel, respectively.

  20. Efficient quantum circuits for one-way quantum computing.

    Science.gov (United States)

    Tanamoto, Tetsufumi; Liu, Yu-Xi; Hu, Xuedong; Nori, Franco

    2009-03-13

    While Ising-type interactions are ideal for implementing controlled phase flip gates in one-way quantum computing, natural interactions between solid-state qubits are most often described by either the XY or the Heisenberg models. We show an efficient way of generating cluster states directly using either the imaginary SWAP (iSWAP) gate for the XY model, or the sqrt[SWAP] gate for the Heisenberg model. Our approach thus makes one-way quantum computing more feasible for solid-state devices.

  1. Electromagnetic field computation by network methods

    CERN Document Server

    Felsen, Leopold B; Russer, Peter

    2009-01-01

    This monograph proposes a systematic and rigorous treatment of electromagnetic field representations in complex structures. The book presents new strong models by combining important computational methods. This is the last book of the late Leopold Felsen.

  2. A Distributed Snapshot Protocol for Efficient Artificial Intelligence Computation in Cloud Computing Environments

    Directory of Open Access Journals (Sweden)

    JongBeom Lim

    2018-01-01

    Full Text Available Many artificial intelligence applications often require a huge amount of computing resources. As a result, cloud computing adoption rates are increasing in the artificial intelligence field. To support the demand for artificial intelligence applications and guarantee the service level agreement, cloud computing should provide not only computing resources but also fundamental mechanisms for efficient computing. In this regard, a snapshot protocol has been used to create a consistent snapshot of the global state in cloud computing environments. However, the existing snapshot protocols are not optimized in the context of artificial intelligence applications, where large-scale iterative computation is the norm. In this paper, we present a distributed snapshot protocol for efficient artificial intelligence computation in cloud computing environments. The proposed snapshot protocol is based on a distributed algorithm to run interconnected multiple nodes in a scalable fashion. Our snapshot protocol is able to deal with artificial intelligence applications, in which a large number of computing nodes are running. We reveal that our distributed snapshot protocol guarantees the correctness, safety, and liveness conditions.

  3. Energy-efficient computing and networking. Revised selected papers

    Energy Technology Data Exchange (ETDEWEB)

    Hatziargyriou, Nikos; Dimeas, Aris [Ethnikon Metsovion Polytechneion, Athens (Greece); Weidlich, Anke (eds.) [SAP Research Center, Karlsruhe (Germany); Tomtsi, Thomai

    2011-07-01

    This book constitutes the postproceedings of the First International Conference on Energy-Efficient Computing and Networking, E-Energy, held in Passau, Germany in April 2010. The 23 revised papers presented were carefully reviewed and selected for inclusion in the post-proceedings. The papers are organized in topical sections on energy market and algorithms, ICT technology for the energy market, implementation of smart grid and smart home technology, microgrids and energy management, and energy efficiency through distributed energy management and buildings. (orig.)

  4. Methods in computed angiotomography of the brain

    International Nuclear Information System (INIS)

    Yamamoto, Yuji; Asari, Shoji; Sadamoto, Kazuhiko.

    1985-01-01

    Authors introduce the methods in computed angiotomography of the brain. Setting of the scan planes and levels and the minimum dose bolus (MinDB) injection of contrast medium are described in detail. These methods are easily and safely employed with the use of already propagated CT scanners. Computed angiotomography is expected for clinical applications in many institutions because of its diagnostic value in screening of cerebrovascular lesions and in demonstrating the relationship between pathological lesions and cerebral vessels. (author)

  5. Methods and experimental techniques in computer engineering

    CERN Document Server

    Schiaffonati, Viola

    2014-01-01

    Computing and science reveal a synergic relationship. On the one hand, it is widely evident that computing plays an important role in the scientific endeavor. On the other hand, the role of scientific method in computing is getting increasingly important, especially in providing ways to experimentally evaluate the properties of complex computing systems. This book critically presents these issues from a unitary conceptual and methodological perspective by addressing specific case studies at the intersection between computing and science. The book originates from, and collects the experience of, a course for PhD students in Information Engineering held at the Politecnico di Milano. Following the structure of the course, the book features contributions from some researchers who are working at the intersection between computing and science.

  6. Secure Computation, I/O-Efficient Algorithms and Distributed Signatures

    DEFF Research Database (Denmark)

    Damgård, Ivan Bjerre; Kölker, Jonas; Toft, Tomas

    2012-01-01

    values of form r, gr for random secret-shared r ∈ ℤq and gr in a group of order q. This costs a constant number of exponentiation per player per value generated, even if less than n/3 players are malicious. This can be used for efficient distributed computing of Schnorr signatures. We further develop...... the technique so we can sign secret data in a distributed fashion at essentially the same cost....

  7. Multigrid methods for the computation of propagators in gauge fields

    International Nuclear Information System (INIS)

    Kalkreuter, T.

    1992-11-01

    In the present work generalizations of multigrid methods for propagators in gauge fields are investigated. We discuss proper averaging operations for bosons and for staggered fermions. An efficient algorithm for computing C numerically is presented. The averaging kernels C can be used not only in deterministic multigrid computations, but also in multigrid Monte Carlo simulations, and for the definition of block spins and blocked gauge fields in Monte Carlo renormalization group studies of gauge theories. Actual numerical computations of kernels and propagators are performed in compact four-dimensional SU(2) gauge fields. (orig./HSI)

  8. Computational techniques of the simplex method

    CERN Document Server

    Maros, István

    2003-01-01

    Computational Techniques of the Simplex Method is a systematic treatment focused on the computational issues of the simplex method. It provides a comprehensive coverage of the most important and successful algorithmic and implementation techniques of the simplex method. It is a unique source of essential, never discussed details of algorithmic elements and their implementation. On the basis of the book the reader will be able to create a highly advanced implementation of the simplex method which, in turn, can be used directly or as a building block in other solution algorithms.

  9. Efficient and robust implementation of the TLISMNI method

    Science.gov (United States)

    Aboubakr, Ahmed K.; Shabana, Ahmed A.

    2015-09-01

    The dynamics of large scale and complex multibody systems (MBS) that include flexible bodies and contact/impact pairs is governed by stiff equations. Because explicit integration methods can be inefficient and often fail in the case of stiff problems, the use of implicit numerical integration methods is recommended in this case. This paper presents a new and efficient implementation of the two-loop implicit sparse matrix numerical integration (TLISMNI) method proposed for the solution of constrained rigid and flexible MBS differential and algebraic equations. The TLISMNI method has desirable features that include avoiding numerical differentiation of the forces, allowing for an efficient sparse matrix implementation, and ensuring that the kinematic constraint equations are satisfied at the position, velocity and acceleration levels. In this method, a sparse Lagrangian augmented form of the equations of motion that ensures that the constraints are satisfied at the acceleration level is used to solve for all the accelerations and Lagrange multipliers. The generalized coordinate partitioning or recursive methods can be used to satisfy the constraint equations at the position and velocity levels. In order to improve the efficiency and robustness of the TLISMNI method, the simple iteration and the Jacobian-Free Newton-Krylov approaches are used in this investigation. The new implementation is tested using several low order formulas that include Hilber-Hughes-Taylor (HHT), L-stable Park, A-stable Trapezoidal, and A-stable BDF methods. The HHT method allows for including numerical damping. Discussion on which method is more appropriate to use for a certain application is provided. The paper also discusses TLISMNI implementation issues including the step size selection, the convergence criteria, the error control, and the effect of the numerical damping. The use of the computer algorithm described in this paper is demonstrated by solving complex rigid and flexible tracked

  10. Convolutional networks for fast, energy-efficient neuromorphic computing.

    Science.gov (United States)

    Esser, Steven K; Merolla, Paul A; Arthur, John V; Cassidy, Andrew S; Appuswamy, Rathinakumar; Andreopoulos, Alexander; Berg, David J; McKinstry, Jeffrey L; Melano, Timothy; Barch, Davis R; di Nolfo, Carmelo; Datta, Pallab; Amir, Arnon; Taba, Brian; Flickner, Myron D; Modha, Dharmendra S

    2016-10-11

    Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on spiking neurons, low precision synapses, and a scalable communication network. Here, we demonstrate that neuromorphic computing, despite its novel architectural primitives, can implement deep convolution networks that (i) approach state-of-the-art classification accuracy across eight standard datasets encompassing vision and speech, (ii) perform inference while preserving the hardware's underlying energy-efficiency and high throughput, running on the aforementioned datasets at between 1,200 and 2,600 frames/s and using between 25 and 275 mW (effectively >6,000 frames/s per Watt), and (iii) can be specified and trained using backpropagation with the same ease-of-use as contemporary deep learning. This approach allows the algorithmic power of deep learning to be merged with the efficiency of neuromorphic processors, bringing the promise of embedded, intelligent, brain-inspired computing one step closer.

  11. Efficient MATLAB computations with sparse and factored tensors.

    Energy Technology Data Exchange (ETDEWEB)

    Bader, Brett William; Kolda, Tamara Gibson (Sandia National Lab, Livermore, CA)

    2006-12-01

    In this paper, the term tensor refers simply to a multidimensional or N-way array, and we consider how specially structured tensors allow for efficient storage and computation. First, we study sparse tensors, which have the property that the vast majority of the elements are zero. We propose storing sparse tensors using coordinate format and describe the computational efficiency of this scheme for various mathematical operations, including those typical to tensor decomposition algorithms. Second, we study factored tensors, which have the property that they can be assembled from more basic components. We consider two specific types: a Tucker tensor can be expressed as the product of a core tensor (which itself may be dense, sparse, or factored) and a matrix along each mode, and a Kruskal tensor can be expressed as the sum of rank-1 tensors. We are interested in the case where the storage of the components is less than the storage of the full tensor, and we demonstrate that many elementary operations can be computed using only the components. All of the efficiencies described in this paper are implemented in the Tensor Toolbox for MATLAB.

  12. Convolutional networks for fast, energy-efficient neuromorphic computing

    Science.gov (United States)

    Esser, Steven K.; Merolla, Paul A.; Arthur, John V.; Cassidy, Andrew S.; Appuswamy, Rathinakumar; Andreopoulos, Alexander; Berg, David J.; McKinstry, Jeffrey L.; Melano, Timothy; Barch, Davis R.; di Nolfo, Carmelo; Datta, Pallab; Amir, Arnon; Taba, Brian; Flickner, Myron D.; Modha, Dharmendra S.

    2016-01-01

    Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on spiking neurons, low precision synapses, and a scalable communication network. Here, we demonstrate that neuromorphic computing, despite its novel architectural primitives, can implement deep convolution networks that (i) approach state-of-the-art classification accuracy across eight standard datasets encompassing vision and speech, (ii) perform inference while preserving the hardware’s underlying energy-efficiency and high throughput, running on the aforementioned datasets at between 1,200 and 2,600 frames/s and using between 25 and 275 mW (effectively >6,000 frames/s per Watt), and (iii) can be specified and trained using backpropagation with the same ease-of-use as contemporary deep learning. This approach allows the algorithmic power of deep learning to be merged with the efficiency of neuromorphic processors, bringing the promise of embedded, intelligent, brain-inspired computing one step closer. PMID:27651489

  13. Computational and mathematical methods in brain atlasing.

    Science.gov (United States)

    Nowinski, Wieslaw L

    2017-12-01

    Brain atlases have a wide range of use from education to research to clinical applications. Mathematical methods as well as computational methods and tools play a major role in the process of brain atlas building and developing atlas-based applications. Computational methods and tools cover three areas: dedicated editors for brain model creation, brain navigators supporting multiple platforms, and atlas-assisted specific applications. Mathematical methods in atlas building and developing atlas-aided applications deal with problems in image segmentation, geometric body modelling, physical modelling, atlas-to-scan registration, visualisation, interaction and virtual reality. Here I overview computational and mathematical methods in atlas building and developing atlas-assisted applications, and share my contribution to and experience in this field.

  14. An energy-efficient failure detector for vehicular cloud computing.

    Science.gov (United States)

    Liu, Jiaxi; Wu, Zhibo; Dong, Jian; Wu, Jin; Wen, Dongxin

    2018-01-01

    Failure detectors are one of the fundamental components for maintaining the high availability of vehicular cloud computing. In vehicular cloud computing, lots of RSUs are deployed along the road to improve the connectivity. Many of them are equipped with solar battery due to the unavailability or excess expense of wired electrical power. So it is important to reduce the battery consumption of RSU. However, the existing failure detection algorithms are not designed to save battery consumption RSU. To solve this problem, a new energy-efficient failure detector 2E-FD has been proposed specifically for vehicular cloud computing. 2E-FD does not only provide acceptable failure detection service, but also saves the battery consumption of RSU. Through the comparative experiments, the results show that our failure detector has better performance in terms of speed, accuracy and battery consumption.

  15. Power-Efficient Computing: Experiences from the COSA Project

    Directory of Open Access Journals (Sweden)

    Daniele Cesini

    2017-01-01

    Full Text Available Energy consumption is today one of the most relevant issues in operating HPC systems for scientific applications. The use of unconventional computing systems is therefore of great interest for several scientific communities looking for a better tradeoff between time-to-solution and energy-to-solution. In this context, the performance assessment of processors with a high ratio of performance per watt is necessary to understand how to realize energy-efficient computing systems for scientific applications, using this class of processors. Computing On SOC Architecture (COSA is a three-year project (2015–2017 funded by the Scientific Commission V of the Italian Institute for Nuclear Physics (INFN, which aims to investigate the performance and the total cost of ownership offered by computing systems based on commodity low-power Systems on Chip (SoCs and high energy-efficient systems based on GP-GPUs. In this work, we present the results of the project analyzing the performance of several scientific applications on several GPU- and SoC-based systems. We also describe the methodology we have used to measure energy performance and the tools we have implemented to monitor the power drained by applications while running.

  16. A synthetic visual plane algorithm for visibility computation in consideration of accuracy and efficiency

    Science.gov (United States)

    Yu, Jieqing; Wu, Lixin; Hu, Qingsong; Yan, Zhigang; Zhang, Shaoliang

    2017-12-01

    Visibility computation is of great interest to location optimization, environmental planning, ecology, and tourism. Many algorithms have been developed for visibility computation. In this paper, we propose a novel method of visibility computation, called synthetic visual plane (SVP), to achieve better performance with respect to efficiency, accuracy, or both. The method uses a global horizon, which is a synthesis of line-of-sight information of all nearer points, to determine the visibility of a point, which makes it an accurate visibility method. We used discretization of horizon to gain a good performance in efficiency. After discretization, the accuracy and efficiency of SVP depends on the scale of discretization (i.e., zone width). The method is more accurate at smaller zone widths, but this requires a longer operating time. Users must strike a balance between accuracy and efficiency at their discretion. According to our experiments, SVP is less accurate but more efficient than R2 if the zone width is set to one grid. However, SVP becomes more accurate than R2 when the zone width is set to 1/24 grid, while it continues to perform as fast or faster than R2. Although SVP performs worse than reference plane and depth map with respect to efficiency, it is superior in accuracy to these other two algorithms.

  17. Efficient parallel implicit methods for rotary-wing aerodynamics calculations

    Science.gov (United States)

    Wissink, Andrew M.

    Euler/Navier-Stokes Computational Fluid Dynamics (CFD) methods are commonly used for prediction of the aerodynamics and aeroacoustics of modern rotary-wing aircraft. However, their widespread application to large complex problems is limited lack of adequate computing power. Parallel processing offers the potential for dramatic increases in computing power, but most conventional implicit solution methods are inefficient in parallel and new techniques must be adopted to realize its potential. This work proposes alternative implicit schemes for Euler/Navier-Stokes rotary-wing calculations which are robust and efficient in parallel. The first part of this work proposes an efficient parallelizable modification of the Lower Upper-Symmetric Gauss Seidel (LU-SGS) implicit operator used in the well-known Transonic Unsteady Rotor Navier Stokes (TURNS) code. The new hybrid LU-SGS scheme couples a point-relaxation approach of the Data Parallel-Lower Upper Relaxation (DP-LUR) algorithm for inter-processor communication with the Symmetric Gauss Seidel algorithm of LU-SGS for on-processor computations. With the modified operator, TURNS is implemented in parallel using Message Passing Interface (MPI) for communication. Numerical performance and parallel efficiency are evaluated on the IBM SP2 and Thinking Machines CM-5 multi-processors for a variety of steady-state and unsteady test cases. The hybrid LU-SGS scheme maintains the numerical performance of the original LU-SGS algorithm in all cases and shows a good degree of parallel efficiency. It experiences a higher degree of robustness than DP-LUR for third-order upwind solutions. The second part of this work examines use of Krylov subspace iterative solvers for the nonlinear CFD solutions. The hybrid LU-SGS scheme is used as a parallelizable preconditioner. Two iterative methods are tested, Generalized Minimum Residual (GMRES) and Orthogonal s-Step Generalized Conjugate Residual (OSGCR). The Newton method demonstrates good

  18. Memory Efficient PCA Methods for Large Group ICA.

    Science.gov (United States)

    Rachakonda, Srinivas; Silva, Rogers F; Liu, Jingyu; Calhoun, Vince D

    2016-01-01

    Principal component analysis (PCA) is widely used for data reduction in group independent component analysis (ICA) of fMRI data. Commonly, group-level PCA of temporally concatenated datasets is computed prior to ICA of the group principal components. This work focuses on reducing very high dimensional temporally concatenated datasets into its group PCA space. Existing randomized PCA methods can determine the PCA subspace with minimal memory requirements and, thus, are ideal for solving large PCA problems. Since the number of dataloads is not typically optimized, we extend one of these methods to compute PCA of very large datasets with a minimal number of dataloads. This method is coined multi power iteration (MPOWIT). The key idea behind MPOWIT is to estimate a subspace larger than the desired one, while checking for convergence of only the smaller subset of interest. The number of iterations is reduced considerably (as well as the number of dataloads), accelerating convergence without loss of accuracy. More importantly, in the proposed implementation of MPOWIT, the memory required for successful recovery of the group principal components becomes independent of the number of subjects analyzed. Highly efficient subsampled eigenvalue decomposition techniques are also introduced, furnishing excellent PCA subspace approximations that can be used for intelligent initialization of randomized methods such as MPOWIT. Together, these developments enable efficient estimation of accurate principal components, as we illustrate by solving a 1600-subject group-level PCA of fMRI with standard acquisition parameters, on a regular desktop computer with only 4 GB RAM, in just a few hours. MPOWIT is also highly scalable and could realistically solve group-level PCA of fMRI on thousands of subjects, or more, using standard hardware, limited only by time, not memory. Also, the MPOWIT algorithm is highly parallelizable, which would enable fast, distributed implementations ideal for big

  19. Memory efficient PCA methods for large group ICA

    Directory of Open Access Journals (Sweden)

    Srinivas eRachakonda

    2016-02-01

    Full Text Available Principal component analysis (PCA is widely used for data reduction in group independent component analysis (ICA of fMRI data. Commonly, group-level PCA of temporally concatenated datasets is computed prior to ICA of the group principal components. This work focuses on reducing very high dimensional temporally concatenated datasets into its group PCA space. Existing randomized PCA methods can determine the PCA subspace with minimal memory requirements and, thus, are ideal for solving large PCA problems. Since the number of dataloads is not typically optimized, we extend one of these methods to compute PCA of very large datasets with a minimal number of dataloads. This method is coined multi power iteration (MPOWIT. The key idea behind MPOWIT is to estimate a subspace larger than the desired one, while checking for convergence of only the smaller subset of interest. The number of iterations is reduced considerably (as well as the number of dataloads, accelerating convergence without loss of accuracy. More importantly, in the proposed implementation of MPOWIT, the memory required for successful recovery of the group principal components becomes independent of the number of subjects analyzed. Highly efficient subsampled eigenvalue decomposition techniques are also introduced, furnishing excellent PCA subspace approximations that can be used for intelligent initialization of randomized methods such as MPOWIT. Together, these developments enable efficient estimation of accurate principal components, as we illustrate by solving a 1600-subject group-level PCA of fMRI with standard acquisition parameters, on a regular desktop computer with only 4GB RAM, in just a few hours. MPOWIT is also highly scalable and could realistically solve group-level PCA of fMRI on thousands of subjects, or more, using standard hardware, limited only by time, not memory. Also, the MPOWIT algorithm is highly parallelizable, which would enable fast, distributed implementations

  20. Efficient technique for computational design of thermoelectric materials

    Science.gov (United States)

    Núñez-Valdez, Maribel; Allahyari, Zahed; Fan, Tao; Oganov, Artem R.

    2018-01-01

    Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in multicomponent systems, efficient thermoelectric compounds. The method combines a robust evolutionary algorithm, a Pareto multiobjective optimization, density functional theory and a Boltzmann semi-classical calculation of thermoelectric efficiency. To test the performance and reliability of our overall framework, we use the well-known system Bi2Te3-Sb2Te3.

  1. Empirical evaluation methods in computer vision

    CERN Document Server

    Christensen, Henrik I

    2002-01-01

    This book provides comprehensive coverage of methods for the empirical evaluation of computer vision techniques. The practical use of computer vision requires empirical evaluation to ensure that the overall system has a guaranteed performance. The book contains articles that cover the design of experiments for evaluation, range image segmentation, the evaluation of face recognition and diffusion methods, image matching using correlation methods, and the performance of medical image processing algorithms. Sample Chapter(s). Foreword (228 KB). Chapter 1: Introduction (505 KB). Contents: Automate

  2. Computationally efficient models of neuromuscular recruitment and mechanics.

    Science.gov (United States)

    Song, D; Raphael, G; Lan, N; Loeb, G E

    2008-06-01

    We have improved the stability and computational efficiency of a physiologically realistic, virtual muscle (VM 3.*) model (Cheng et al 2000 J. Neurosci. Methods 101 117-30) by a simpler structure of lumped fiber types and a novel recruitment algorithm. In the new version (VM 4.0), the mathematical equations are reformulated into state-space representation and structured into a CMEX S-function in SIMULINK. A continuous recruitment scheme approximates the discrete recruitment of slow and fast motor units under physiological conditions. This makes it possible to predict force output during smooth recruitment and derecruitment without having to simulate explicitly a large number of independently recruited units. We removed the intermediate state variable, effective length (Leff), which had been introduced to model the delayed length dependency of the activation-frequency relationship, but which had little effect and could introduce instability under physiological conditions of use. Both of these changes greatly reduce the number of state variables with little loss of accuracy compared to the original VM. The performance of VM 4.0 was validated by comparison with VM 3.1.5 for both single-muscle force production and a multi-joint task. The improved VM 4.0 model is more suitable for the analysis of neural control of movements and for design of prosthetic systems to restore lost or impaired motor functions. VM 4.0 is available via the internet and includes options to use the original VM model, which remains useful for detailed simulations of single motor unit behavior.

  3. Computationally efficient models of neuromuscular recruitment and mechanics

    Science.gov (United States)

    Song, D.; Raphael, G.; Lan, N.; Loeb, G. E.

    2008-06-01

    We have improved the stability and computational efficiency of a physiologically realistic, virtual muscle (VM 3.*) model (Cheng et al 2000 J. Neurosci. Methods 101 117-30) by a simpler structure of lumped fiber types and a novel recruitment algorithm. In the new version (VM 4.0), the mathematical equations are reformulated into state-space representation and structured into a CMEX S-function in SIMULINK. A continuous recruitment scheme approximates the discrete recruitment of slow and fast motor units under physiological conditions. This makes it possible to predict force output during smooth recruitment and derecruitment without having to simulate explicitly a large number of independently recruited units. We removed the intermediate state variable, effective length (Leff), which had been introduced to model the delayed length dependency of the activation-frequency relationship, but which had little effect and could introduce instability under physiological conditions of use. Both of these changes greatly reduce the number of state variables with little loss of accuracy compared to the original VM. The performance of VM 4.0 was validated by comparison with VM 3.1.5 for both single-muscle force production and a multi-joint task. The improved VM 4.0 model is more suitable for the analysis of neural control of movements and for design of prosthetic systems to restore lost or impaired motor functions. VM 4.0 is available via the internet and includes options to use the original VM model, which remains useful for detailed simulations of single motor unit behavior.

  4. A computational method for sharp interface advection

    DEFF Research Database (Denmark)

    Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

    2016-01-01

    We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volu...

  5. Advanced Computational Methods in Bio-Mechanics.

    Science.gov (United States)

    Al Qahtani, Waleed M S; El-Anwar, Mohamed I

    2018-04-15

    A novel partnership between surgeons and machines, made possible by advances in computing and engineering technology, could overcome many of the limitations of traditional surgery. By extending surgeons' ability to plan and carry out surgical interventions more accurately and with fewer traumas, computer-integrated surgery (CIS) systems could help to improve clinical outcomes and the efficiency of healthcare delivery. CIS systems could have a similar impact on surgery to that long since realised in computer-integrated manufacturing. Mathematical modelling and computer simulation have proved tremendously successful in engineering. Computational mechanics has enabled technological developments in virtually every area of our lives. One of the greatest challenges for mechanists is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. Biomechanics has significant potential for applications in orthopaedic industry, and the performance arts since skills needed for these activities are visibly related to the human musculoskeletal and nervous systems. Although biomechanics is widely used nowadays in the orthopaedic industry to design orthopaedic implants for human joints, dental parts, external fixations and other medical purposes, numerous researches funded by billions of dollars are still running to build a new future for sports and human healthcare in what is called biomechanics era.

  6. Efficient Numeric and Geometric Computations using Heterogeneous Shared Memory Architectures

    Science.gov (United States)

    2017-10-04

    to the memory architectures of CPUs and GPUs to obtain good performance and result in good memory performance using cache management. These methods ...Accomplishments: The PI and students has developed new methods for path and ray tracing and their Report Date: 14-Oct-2017 INVESTIGATOR(S): Phone...The efficiency of our method makes it a good candidate for forming hybrid schemes with wave-based models. One possibility is to couple the ray curve

  7. Computing discharge using the index velocity method

    Science.gov (United States)

    Levesque, Victor A.; Oberg, Kevin A.

    2012-01-01

    Application of the index velocity method for computing continuous records of discharge has become increasingly common, especially since the introduction of low-cost acoustic Doppler velocity meters (ADVMs) in 1997. Presently (2011), the index velocity method is being used to compute discharge records for approximately 470 gaging stations operated and maintained by the U.S. Geological Survey. The purpose of this report is to document and describe techniques for computing discharge records using the index velocity method. Computing discharge using the index velocity method differs from the traditional stage-discharge method by separating velocity and area into two ratings—the index velocity rating and the stage-area rating. The outputs from each of these ratings, mean channel velocity (V) and cross-sectional area (A), are then multiplied together to compute a discharge. For the index velocity method, V is a function of such parameters as streamwise velocity, stage, cross-stream velocity, and velocity head, and A is a function of stage and cross-section shape. The index velocity method can be used at locations where stage-discharge methods are used, but it is especially appropriate when more than one specific discharge can be measured for a specific stage. After the ADVM is selected, installed, and configured, the stage-area rating and the index velocity rating must be developed. A standard cross section is identified and surveyed in order to develop the stage-area rating. The standard cross section should be surveyed every year for the first 3 years of operation and thereafter at a lesser frequency, depending on the susceptibility of the cross section to change. Periodic measurements of discharge are used to calibrate and validate the index rating for the range of conditions experienced at the gaging station. Data from discharge measurements, ADVMs, and stage sensors are compiled for index-rating analysis. Index ratings are developed by means of regression

  8. An Efficient Evolutionary Based Method For Image Segmentation

    OpenAIRE

    Aslanzadeh, Roohollah; Qazanfari, Kazem; Rahmati, Mohammad

    2017-01-01

    The goal of this paper is to present a new efficient image segmentation method based on evolutionary computation which is a model inspired from human behavior. Based on this model, a four layer process for image segmentation is proposed using the split/merge approach. In the first layer, an image is split into numerous regions using the watershed algorithm. In the second layer, a co-evolutionary process is applied to form centers of finals segments by merging similar primary regions. In the t...

  9. Computational methods in molecular imaging technologies

    CERN Document Server

    Gunjan, Vinit Kumar; Venkatesh, C; Amarnath, M

    2017-01-01

    This book highlights the experimental investigations that have been carried out on magnetic resonance imaging and computed tomography (MRI & CT) images using state-of-the-art Computational Image processing techniques, and tabulates the statistical values wherever necessary. In a very simple and straightforward way, it explains how image processing methods are used to improve the quality of medical images and facilitate analysis. It offers a valuable resource for researchers, engineers, medical doctors and bioinformatics experts alike.

  10. Energy efficient hybrid computing systems using spin devices

    Science.gov (United States)

    Sharad, Mrigank

    Emerging spin-devices like magnetic tunnel junctions (MTJ's), spin-valves and domain wall magnets (DWM) have opened new avenues for spin-based logic design. This work explored potential computing applications which can exploit such devices for higher energy-efficiency and performance. The proposed applications involve hybrid design schemes, where charge-based devices supplement the spin-devices, to gain large benefits at the system level. As an example, lateral spin valves (LSV) involve switching of nanomagnets using spin-polarized current injection through a metallic channel such as Cu. Such spin-torque based devices possess several interesting properties that can be exploited for ultra-low power computation. Analog characteristic of spin current facilitate non-Boolean computation like majority evaluation that can be used to model a neuron. The magneto-metallic neurons can operate at ultra-low terminal voltage of ˜20mV, thereby resulting in small computation power. Moreover, since nano-magnets inherently act as memory elements, these devices can facilitate integration of logic and memory in interesting ways. The spin based neurons can be integrated with CMOS and other emerging devices leading to different classes of neuromorphic/non-Von-Neumann architectures. The spin-based designs involve `mixed-mode' processing and hence can provide very compact and ultra-low energy solutions for complex computation blocks, both digital as well as analog. Such low-power, hybrid designs can be suitable for various data processing applications like cognitive computing, associative memory, and currentmode on-chip global interconnects. Simulation results for these applications based on device-circuit co-simulation framework predict more than ˜100x improvement in computation energy as compared to state of the art CMOS design, for optimal spin-device parameters.

  11. Method for Determining Volumetric Efficiency and Its Experimental Validation

    Directory of Open Access Journals (Sweden)

    Ambrozik Andrzej

    2017-12-01

    Full Text Available Modern means of transport are basically powered by piston internal combustion engines. Increasingly rigorous demands are placed on IC engines in order to minimise the detrimental impact they have on the natural environment. That stimulates the development of research on piston internal combustion engines. The research involves experimental and theoretical investigations carried out using computer technologies. While being filled, the cylinder is considered to be an open thermodynamic system, in which non-stationary processes occur. To make calculations of thermodynamic parameters of the engine operating cycle, based on the comparison of cycles, it is necessary to know the mean constant value of cylinder pressure throughout this process. Because of the character of in-cylinder pressure pattern and difficulties in pressure experimental determination, in the present paper, a novel method for the determination of this quantity was presented. In the new approach, the iteration method was used. In the method developed for determining the volumetric efficiency, the following equations were employed: the law of conservation of the amount of substance, the first law of thermodynamics for open system, dependences for changes in the cylinder volume vs. the crankshaft rotation angle, and the state equation. The results of calculations performed with this method were validated by means of experimental investigations carried out for a selected engine at the engine test bench. A satisfactory congruence of computational and experimental results as regards determining the volumetric efficiency was obtained. The method for determining the volumetric efficiency presented in the paper can be used to investigate the processes taking place in the cylinder of an IC engine.

  12. Computational methods for structural load and resistance modeling

    Science.gov (United States)

    Thacker, B. H.; Millwater, H. R.; Harren, S. V.

    1991-01-01

    An automated capability for computing structural reliability considering uncertainties in both load and resistance variables is presented. The computations are carried out using an automated Advanced Mean Value iteration algorithm (AMV +) with performance functions involving load and resistance variables obtained by both explicit and implicit methods. A complete description of the procedures used is given as well as several illustrative examples, verified by Monte Carlo Analysis. In particular, the computational methods described in the paper are shown to be quite accurate and efficient for a material nonlinear structure considering material damage as a function of several primitive random variables. The results show clearly the effectiveness of the algorithms for computing the reliability of large-scale structural systems with a maximum number of resolutions.

  13. A computationally efficient OMP-based compressed sensing reconstruction for dynamic MRI

    International Nuclear Information System (INIS)

    Usman, M; Prieto, C; Schaeffter, T; Batchelor, P G; Odille, F; Atkinson, D

    2011-01-01

    Compressed sensing (CS) methods in MRI are computationally intensive. Thus, designing novel CS algorithms that can perform faster reconstructions is crucial for everyday applications. We propose a computationally efficient orthogonal matching pursuit (OMP)-based reconstruction, specifically suited to cardiac MR data. According to the energy distribution of a y-f space obtained from a sliding window reconstruction, we label the y-f space as static or dynamic. For static y-f space images, a computationally efficient masked OMP reconstruction is performed, whereas for dynamic y-f space images, standard OMP reconstruction is used. The proposed method was tested on a dynamic numerical phantom and two cardiac MR datasets. Depending on the field of view composition of the imaging data, compared to the standard OMP method, reconstruction speedup factors ranging from 1.5 to 2.5 are achieved. (note)

  14. Improving robustness and computational efficiency using modern C++

    International Nuclear Information System (INIS)

    Paterno, M; Kowalkowski, J; Green, C

    2014-01-01

    For nearly two decades, the C++ programming language has been the dominant programming language for experimental HEP. The publication of ISO/IEC 14882:2011, the current version of the international standard for the C++ programming language, makes available a variety of language and library facilities for improving the robustness, expressiveness, and computational efficiency of C++ code. However, much of the C++ written by the experimental HEP community does not take advantage of the features of the language to obtain these benefits, either due to lack of familiarity with these features or concern that these features must somehow be computationally inefficient. In this paper, we address some of the features of modern C+-+, and show how they can be used to make programs that are both robust and computationally efficient. We compare and contrast simple yet realistic examples of some common implementation patterns in C, currently-typical C++, and modern C++, and show (when necessary, down to the level of generated assembly language code) the quality of the executable code produced by recent C++ compilers, with the aim of allowing the HEP community to make informed decisions on the costs and benefits of the use of modern C++.

  15. Perspective: Memcomputing: Leveraging memory and physics to compute efficiently

    Science.gov (United States)

    Di Ventra, Massimiliano; Traversa, Fabio L.

    2018-05-01

    It is well known that physical phenomena may be of great help in computing some difficult problems efficiently. A typical example is prime factorization that may be solved in polynomial time by exploiting quantum entanglement on a quantum computer. There are, however, other types of (non-quantum) physical properties that one may leverage to compute efficiently a wide range of hard problems. In this perspective, we discuss how to employ one such property, memory (time non-locality), in a novel physics-based approach to computation: Memcomputing. In particular, we focus on digital memcomputing machines (DMMs) that are scalable. DMMs can be realized with non-linear dynamical systems with memory. The latter property allows the realization of a new type of Boolean logic, one that is self-organizing. Self-organizing logic gates are "terminal-agnostic," namely, they do not distinguish between the input and output terminals. When appropriately assembled to represent a given combinatorial/optimization problem, the corresponding self-organizing circuit converges to the equilibrium points that express the solutions of the problem at hand. In doing so, DMMs take advantage of the long-range order that develops during the transient dynamics. This collective dynamical behavior, reminiscent of a phase transition, or even the "edge of chaos," is mediated by families of classical trajectories (instantons) that connect critical points of increasing stability in the system's phase space. The topological character of the solution search renders DMMs robust against noise and structural disorder. Since DMMs are non-quantum systems described by ordinary differential equations, not only can they be built in hardware with the available technology, they can also be simulated efficiently on modern classical computers. As an example, we will show the polynomial-time solution of the subset-sum problem for the worst cases, and point to other types of hard problems where simulations of DMMs

  16. Digital image processing mathematical and computational methods

    CERN Document Server

    Blackledge, J M

    2005-01-01

    This authoritative text (the second part of a complete MSc course) provides mathematical methods required to describe images, image formation and different imaging systems, coupled with the principle techniques used for processing digital images. It is based on a course for postgraduates reading physics, electronic engineering, telecommunications engineering, information technology and computer science. This book relates the methods of processing and interpreting digital images to the 'physics' of imaging systems. Case studies reinforce the methods discussed, with examples of current research

  17. Study on Parallel Processing for Efficient Flexible Multibody Analysis based on Subsystem Synthesis Method

    Energy Technology Data Exchange (ETDEWEB)

    Han, Jong-Boo; Song, Hajun; Kim, Sung-Soo [Chungnam Nat’l Univ., Daejeon (Korea, Republic of)

    2017-06-15

    Flexible multibody simulations are widely used in the industry to design mechanical systems. In flexible multibody dynamics, deformation coordinates are described either relatively in the body reference frame that is floating in the space or in the inertial reference frame. Moreover, these deformation coordinates are generated based on the discretization of the body according to the finite element approach. Therefore, the formulation of the flexible multibody system always deals with a huge number of degrees of freedom and the numerical solution methods require a substantial amount of computational time. Parallel computational methods are a solution for efficient computation. However, most of the parallel computational methods are focused on the efficient solution of large-sized linear equations. For multibody analysis, we need to develop an efficient formulation that could be suitable for parallel computation. In this paper, we developed a subsystem synthesis method for a flexible multibody system and proposed efficient parallel computational schemes based on the OpenMP API in order to achieve efficient computation. Simulations of a rotating blade system, which consists of three identical blades, were carried out with two different parallel computational schemes. Actual CPU times were measured to investigate the efficiency of the proposed parallel schemes.

  18. Computing and physical methods to calculate Pu

    International Nuclear Information System (INIS)

    Mohamed, Ashraf Elsayed Mohamed

    2013-01-01

    Main limitations due to the enhancement of the plutonium content are related to the coolant void effect as the spectrum becomes faster, the neutron flux in the thermal region tends towards zero and is concentrated in the region from 10 Ke to 1 MeV. Thus, all captures by 240 Pu and 242 Pu in the thermal and epithermal resonance disappear and the 240 Pu and 242 Pu contributions to the void effect became positive. The higher the Pu content and the poorer the Pu quality, the larger the void effect. The core control in nominal or transient conditions Pu enrichment leads to a decrease in (B eff.), the efficiency of soluble boron and control rods. Also, the Doppler effect tends to decrease when Pu replaces U, so, that in case of transients the core could diverge again if the control is not effective enough. As for the voiding effect, the plutonium degradation and the 240 Pu and 242 Pu accumulation after multiple recycling lead to spectrum hardening and to a decrease in control. One solution would be to use enriched boron in soluble boron and shutdown rods. In this paper, I discuss and show the advanced computing and physical methods to calculate Pu inside the nuclear reactors and glovebox and the different solutions to be used to overcome the difficulties that effect, on safety parameters and on reactor performance, and analysis the consequences of plutonium management on the whole fuel cycle like Raw materials savings, fraction of nuclear electric power involved in the Pu management. All through two types of scenario, one involving a low fraction of the nuclear park dedicated to plutonium management, the other involving a dilution of the plutonium in all the nuclear park. (author)

  19. High-efficiency photorealistic computer-generated holograms based on the backward ray-tracing technique

    Science.gov (United States)

    Wang, Yuan; Chen, Zhidong; Sang, Xinzhu; Li, Hui; Zhao, Linmin

    2018-03-01

    Holographic displays can provide the complete optical wave field of a three-dimensional (3D) scene, including the depth perception. However, it often takes a long computation time to produce traditional computer-generated holograms (CGHs) without more complex and photorealistic rendering. The backward ray-tracing technique is able to render photorealistic high-quality images, which noticeably reduce the computation time achieved from the high-degree parallelism. Here, a high-efficiency photorealistic computer-generated hologram method is presented based on the ray-tracing technique. Rays are parallelly launched and traced under different illuminations and circumstances. Experimental results demonstrate the effectiveness of the proposed method. Compared with the traditional point cloud CGH, the computation time is decreased to 24 s to reconstruct a 3D object of 100 ×100 rays with continuous depth change.

  20. Unwrapping ADMM: Efficient Distributed Computing via Transpose Reduction

    Science.gov (United States)

    2016-05-11

    applications of the Split Bregman method: Segmen- tation and surface reconstruction. J. Sci. Comput., 45:272– 293, October 2010. [17] Stephen Boyd and...Garcia, Gretchen Greene, Fabrizia Guglielmetti, Christopher Hanley, George Hawkins , et al. The second-generation guide star cata- log: description

  1. Some computational challenges of developing efficient parallel algorithms for data-dependent computations in thermal-hydraulics supercomputer applications

    International Nuclear Information System (INIS)

    Woodruff, S.B.

    1994-01-01

    The Transient Reactor Analysis Code (TRAC), which features a two-fluid treatment of thermal-hydraulics, is designed to model transients in water reactors and related facilities. One of the major computational costs associated with TRAC and similar codes is calculating constitutive coefficients. Although the formulations for these coefficients are local, the costs are flow-regime- or data-dependent; i.e., the computations needed for a given spatial node often vary widely as a function of time. Consequently, a fixed, uniform assignment of nodes to prallel processors will result in degraded computational efficiency due to the poor load balancing. A standard method for treating data-dependent models on vector architectures has been to use gather operations (or indirect adressing) to sort the nodes into subsets that (temporarily) share a common computational model. However, this method is not effective on distributed memory data parallel architectures, where indirect adressing involves expensive communication overhead. Another serious problem with this method involves software engineering challenges in the areas of maintainability and extensibility. For example, an implementation that was hand-tuned to achieve good computational efficiency would have to be rewritten whenever the decision tree governing the sorting was modified. Using an example based on the calculation of the wall-to-liquid and wall-to-vapor heat-transfer coefficients for three nonboiling flow regimes, we describe how the use of the Fortran 90 WHERE construct and automatic inlining of functions can be used to ameliorate this problem while improving both efficiency and software engineering. Unfortunately, a general automatic solution to the load-balancing problem associated with data-dependent computations is not yet available for massively parallel architectures. We discuss why developers should either wait for such solutions or consider alternative numerical algorithms, such as a neural network

  2. Efficiency of High Order Spectral Element Methods on Petascale Architectures

    KAUST Repository

    Hutchinson, Maxwell; Heinecke, Alexander; Pabst, Hans; Henry, Greg; Parsani, Matteo; Keyes, David E.

    2016-01-01

    High order methods for the solution of PDEs expose a tradeoff between computational cost and accuracy on a per degree of freedom basis. In many cases, the cost increases due to higher arithmetic intensity while affecting data movement minimally. As architectures tend towards wider vector instructions and expect higher arithmetic intensities, the best order for a particular simulation may change. This study highlights preferred orders by identifying the high order efficiency frontier of the spectral element method implemented in Nek5000 and NekBox: the set of orders and meshes that minimize computational cost at fixed accuracy. First, we extract Nek’s order-dependent computational kernels and demonstrate exceptional hardware utilization by hardware-aware implementations. Then, we perform productionscale calculations of the nonlinear single mode Rayleigh-Taylor instability on BlueGene/Q and Cray XC40-based supercomputers to highlight the influence of the architecture. Accuracy is defined with respect to physical observables, and computational costs are measured by the corehour charge of the entire application. The total number of grid points needed to achieve a given accuracy is reduced by increasing the polynomial order. On the XC40 and BlueGene/Q, polynomial orders as high as 31 and 15 come at no marginal cost per timestep, respectively. Taken together, these observations lead to a strong preference for high order discretizations that use fewer degrees of freedom. From a performance point of view, we demonstrate up to 60% full application bandwidth utilization at scale and achieve ≈1PFlop/s of compute performance in Nek’s most flop-intense methods.

  3. Efficiency of High Order Spectral Element Methods on Petascale Architectures

    KAUST Repository

    Hutchinson, Maxwell

    2016-06-14

    High order methods for the solution of PDEs expose a tradeoff between computational cost and accuracy on a per degree of freedom basis. In many cases, the cost increases due to higher arithmetic intensity while affecting data movement minimally. As architectures tend towards wider vector instructions and expect higher arithmetic intensities, the best order for a particular simulation may change. This study highlights preferred orders by identifying the high order efficiency frontier of the spectral element method implemented in Nek5000 and NekBox: the set of orders and meshes that minimize computational cost at fixed accuracy. First, we extract Nek’s order-dependent computational kernels and demonstrate exceptional hardware utilization by hardware-aware implementations. Then, we perform productionscale calculations of the nonlinear single mode Rayleigh-Taylor instability on BlueGene/Q and Cray XC40-based supercomputers to highlight the influence of the architecture. Accuracy is defined with respect to physical observables, and computational costs are measured by the corehour charge of the entire application. The total number of grid points needed to achieve a given accuracy is reduced by increasing the polynomial order. On the XC40 and BlueGene/Q, polynomial orders as high as 31 and 15 come at no marginal cost per timestep, respectively. Taken together, these observations lead to a strong preference for high order discretizations that use fewer degrees of freedom. From a performance point of view, we demonstrate up to 60% full application bandwidth utilization at scale and achieve ≈1PFlop/s of compute performance in Nek’s most flop-intense methods.

  4. Adding computationally efficient realism to Monte Carlo turbulence simulation

    Science.gov (United States)

    Campbell, C. W.

    1985-01-01

    Frequently in aerospace vehicle flight simulation, random turbulence is generated using the assumption that the craft is small compared to the length scales of turbulence. The turbulence is presumed to vary only along the flight path of the vehicle but not across the vehicle span. The addition of the realism of three-dimensionality is a worthy goal, but any such attempt will not gain acceptance in the simulator community unless it is computationally efficient. A concept for adding three-dimensional realism with a minimum of computational complexity is presented. The concept involves the use of close rational approximations to irrational spectra and cross-spectra so that systems of stable, explicit difference equations can be used to generate the turbulence.

  5. Graphics processor efficiency for realization of rapid tabular computations

    International Nuclear Information System (INIS)

    Dudnik, V.A.; Kudryavtsev, V.I.; Us, S.A.; Shestakov, M.V.

    2016-01-01

    Capabilities of graphics processing units (GPU) and central processing units (CPU) have been investigated for realization of fast-calculation algorithms with the use of tabulated functions. The realization of tabulated functions is exemplified by the GPU/CPU architecture-based processors. Comparison is made between the operating efficiencies of GPU and CPU, employed for tabular calculations at different conditions of use. Recommendations are formulated for the use of graphical and central processors to speed up scientific and engineering computations through the use of tabulated functions

  6. Computationally Efficient and Noise Robust DOA and Pitch Estimation

    DEFF Research Database (Denmark)

    Karimian-Azari, Sam; Jensen, Jesper Rindom; Christensen, Mads Græsbøll

    2016-01-01

    Many natural signals, such as voiced speech and some musical instruments, are approximately periodic over short intervals. These signals are often described in mathematics by the sum of sinusoids (harmonics) with frequencies that are proportional to the fundamental frequency, or pitch. In sensor...... a joint DOA and pitch estimator. In white Gaussian noise, we derive even more computationally efficient solutions which are designed using the narrowband power spectrum of the harmonics. Numerical results reveal the performance of the estimators in colored noise compared with the Cram\\'{e}r-Rao lower...

  7. DASPfind: new efficient method to predict drug–target interactions

    KAUST Repository

    Ba Alawi, Wail; Soufan, Othman; Essack, Magbubah; Kalnis, Panos; Bajic, Vladimir B.

    2016-01-01

    DASPfind is a computational method for finding reliable new interactions between drugs and proteins. We show over six different DTI datasets that DASPfind outperforms other state-of-the-art methods when the single top-ranked predictions are considered, or when a drug with no known targets or with few known targets is considered. We illustrate the usefulness and practicality of DASPfind by predicting novel DTIs for the Ion Channel dataset. The validated predictions suggest that DASPfind can be used as an efficient method to identify correct DTIs, thus reducing the cost of necessary experimental verifications in the process of drug discovery. DASPfind can be accessed online at: http://​www.​cbrc.​kaust.​edu.​sa/​daspfind.

  8. IMPROVING TACONITE PROCESSING PLANT EFFICIENCY BY COMPUTER SIMULATION, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    William M. Bond; Salih Ersayin

    2007-03-30

    This project involved industrial scale testing of a mineral processing simulator to improve the efficiency of a taconite processing plant, namely the Minorca mine. The Concentrator Modeling Center at the Coleraine Minerals Research Laboratory, University of Minnesota Duluth, enhanced the capabilities of available software, Usim Pac, by developing mathematical models needed for accurate simulation of taconite plants. This project provided funding for this technology to prove itself in the industrial environment. As the first step, data representing existing plant conditions were collected by sampling and sample analysis. Data were then balanced and provided a basis for assessing the efficiency of individual devices and the plant, and also for performing simulations aimed at improving plant efficiency. Performance evaluation served as a guide in developing alternative process strategies for more efficient production. A large number of computer simulations were then performed to quantify the benefits and effects of implementing these alternative schemes. Modification of makeup ball size was selected as the most feasible option for the target performance improvement. This was combined with replacement of existing hydrocyclones with more efficient ones. After plant implementation of these modifications, plant sampling surveys were carried out to validate findings of the simulation-based study. Plant data showed very good agreement with the simulated data, confirming results of simulation. After the implementation of modifications in the plant, several upstream bottlenecks became visible. Despite these bottlenecks limiting full capacity, concentrator energy improvement of 7% was obtained. Further improvements in energy efficiency are expected in the near future. The success of this project demonstrated the feasibility of a simulation-based approach. Currently, the Center provides simulation-based service to all the iron ore mining companies operating in northern

  9. Efficient Parallel Kernel Solvers for Computational Fluid Dynamics Applications

    Science.gov (United States)

    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

  10. Integrating computational methods to retrofit enzymes to synthetic pathways.

    Science.gov (United States)

    Brunk, Elizabeth; Neri, Marilisa; Tavernelli, Ivano; Hatzimanikatis, Vassily; Rothlisberger, Ursula

    2012-02-01

    Microbial production of desired compounds provides an efficient framework for the development of renewable energy resources. To be competitive to traditional chemistry, one requirement is to utilize the full capacity of the microorganism to produce target compounds with high yields and turnover rates. We use integrated computational methods to generate and quantify the performance of novel biosynthetic routes that contain highly optimized catalysts. Engineering a novel reaction pathway entails addressing feasibility on multiple levels, which involves handling the complexity of large-scale biochemical networks while respecting the critical chemical phenomena at the atomistic scale. To pursue this multi-layer challenge, our strategy merges knowledge-based metabolic engineering methods with computational chemistry methods. By bridging multiple disciplines, we provide an integral computational framework that could accelerate the discovery and implementation of novel biosynthetic production routes. Using this approach, we have identified and optimized a novel biosynthetic route for the production of 3HP from pyruvate. Copyright © 2011 Wiley Periodicals, Inc.

  11. 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.

  12. Computational and instrumental methods in EPR

    CERN Document Server

    Bender, Christopher J

    2006-01-01

    Computational and Instrumental Methods in EPR Prof. Bender, Fordham University Prof. Lawrence J. Berliner, University of Denver Electron magnetic resonance has been greatly facilitated by the introduction of advances in instrumentation and better computational tools, such as the increasingly widespread use of the density matrix formalism. This volume is devoted to both instrumentation and computation aspects of EPR, while addressing applications such as spin relaxation time measurements, the measurement of hyperfine interaction parameters, and the recovery of Mn(II) spin Hamiltonian parameters via spectral simulation. Key features: Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T1) and Spin-Spin (T2) Relaxation Times Improvement in the Measurement of Spin-Lattice Relaxation Time in Electron Paramagnetic Resonance Quantitative Measurement of Magnetic Hyperfine Parameters and the Physical Organic Chemistry of Supramolecular Systems New Methods of Simulation of Mn(II) EPR Spectra: Single Cryst...

  13. Proceedings of computational methods in materials science

    International Nuclear Information System (INIS)

    Mark, J.E. Glicksman, M.E.; Marsh, S.P.

    1992-01-01

    The Symposium on which this volume is based was conceived as a timely expression of some of the fast-paced developments occurring throughout materials science and engineering. It focuses particularly on those involving modern computational methods applied to model and predict the response of materials under a diverse range of physico-chemical conditions. The current easy access of many materials scientists in industry, government laboratories, and academe to high-performance computers has opened many new vistas for predicting the behavior of complex materials under realistic conditions. Some have even argued that modern computational methods in materials science and engineering are literally redefining the bounds of our knowledge from which we predict structure-property relationships, perhaps forever changing the historically descriptive character of the science and much of the engineering

  14. Computational botany methods for automated species identification

    CERN Document Server

    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...

  15. Computer-Aided Modelling Methods and Tools

    DEFF Research Database (Denmark)

    Cameron, Ian; Gani, Rafiqul

    2011-01-01

    The development of models for a range of applications requires methods and tools. In many cases a reference model is required that allows the generation of application specific models that are fit for purpose. There are a range of computer aided modelling tools available that help to define the m...

  16. Applying Human Computation Methods to Information Science

    Science.gov (United States)

    Harris, Christopher Glenn

    2013-01-01

    Human Computation methods such as crowdsourcing and games with a purpose (GWAP) have each recently drawn considerable attention for their ability to synergize the strengths of people and technology to accomplish tasks that are challenging for either to do well alone. Despite this increased attention, much of this transformation has been focused on…

  17. The asymptotic expansion method via symbolic computation

    OpenAIRE

    Navarro, Juan F.

    2012-01-01

    This paper describes an algorithm for implementing a perturbation method based on an asymptotic expansion of the solution to a second-order differential equation. We also introduce a new symbolic computation system which works with the so-called modified quasipolynomials, as well as an implementation of the algorithm on it.

  18. The Asymptotic Expansion Method via Symbolic Computation

    Directory of Open Access Journals (Sweden)

    Juan F. Navarro

    2012-01-01

    Full Text Available This paper describes an algorithm for implementing a perturbation method based on an asymptotic expansion of the solution to a second-order differential equation. We also introduce a new symbolic computation system which works with the so-called modified quasipolynomials, as well as an implementation of the algorithm on it.

  19. On the Computation of the Efficient Frontier of the Portfolio Selection Problem

    Directory of Open Access Journals (Sweden)

    Clara Calvo

    2012-01-01

    Full Text Available An easy-to-use procedure is presented for improving the ε-constraint method for computing the efficient frontier of the portfolio selection problem endowed with additional cardinality and semicontinuous variable constraints. The proposed method provides not only a numerical plotting of the frontier but also an analytical description of it, including the explicit equations of the arcs of parabola it comprises and the change points between them. This information is useful for performing a sensitivity analysis as well as for providing additional criteria to the investor in order to select an efficient portfolio. Computational results are provided to test the efficiency of the algorithm and to illustrate its applications. The procedure has been implemented in Mathematica.

  20. Developing a computationally efficient dynamic multilevel hybrid optimization scheme using multifidelity model interactions.

    Energy Technology Data Exchange (ETDEWEB)

    Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Castro, Joseph Pete Jr. (; .); Giunta, Anthony Andrew

    2006-01-01

    Many engineering application problems use optimization algorithms in conjunction with numerical simulators to search for solutions. The formulation of relevant objective functions and constraints dictate possible optimization algorithms. Often, a gradient based approach is not possible since objective functions and constraints can be nonlinear, nonconvex, non-differentiable, or even discontinuous and the simulations involved can be computationally expensive. Moreover, computational efficiency and accuracy are desirable and also influence the choice of solution method. With the advent and increasing availability of massively parallel computers, computational speed has increased tremendously. Unfortunately, the numerical and model complexities of many problems still demand significant computational resources. Moreover, in optimization, these expenses can be a limiting factor since obtaining solutions often requires the completion of numerous computationally intensive simulations. Therefore, we propose a multifidelity optimization algorithm (MFO) designed to improve the computational efficiency of an optimization method for a wide range of applications. In developing the MFO algorithm, we take advantage of the interactions between multi fidelity models to develop a dynamic and computational time saving optimization algorithm. First, a direct search method is applied to the high fidelity model over a reduced design space. In conjunction with this search, a specialized oracle is employed to map the design space of this high fidelity model to that of a computationally cheaper low fidelity model using space mapping techniques. Then, in the low fidelity space, an optimum is obtained using gradient or non-gradient based optimization, and it is mapped back to the high fidelity space. In this paper, we describe the theory and implementation details of our MFO algorithm. We also demonstrate our MFO method on some example problems and on two applications: earth penetrators and

  1. Computationally efficient implementation of combustion chemistry in parallel PDF calculations

    International Nuclear Information System (INIS)

    Lu Liuyan; Lantz, Steven R.; Ren Zhuyin; Pope, Stephen B.

    2009-01-01

    In parallel calculations of combustion processes with realistic chemistry, the serial in situ adaptive tabulation (ISAT) algorithm [S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combustion Theory and Modelling, 1 (1997) 41-63; L. Lu, S.B. Pope, An improved algorithm for in situ adaptive tabulation, Journal of Computational Physics 228 (2009) 361-386] substantially speeds up the chemistry calculations on each processor. To improve the parallel efficiency of large ensembles of such calculations in parallel computations, in this work, the ISAT algorithm is extended to the multi-processor environment, with the aim of minimizing the wall clock time required for the whole ensemble. Parallel ISAT strategies are developed by combining the existing serial ISAT algorithm with different distribution strategies, namely purely local processing (PLP), uniformly random distribution (URAN), and preferential distribution (PREF). The distribution strategies enable the queued load redistribution of chemistry calculations among processors using message passing. They are implemented in the software x2f m pi, which is a Fortran 95 library for facilitating many parallel evaluations of a general vector function. The relative performance of the parallel ISAT strategies is investigated in different computational regimes via the PDF calculations of multiple partially stirred reactors burning methane/air mixtures. The results show that the performance of ISAT with a fixed distribution strategy strongly depends on certain computational regimes, based on how much memory is available and how much overlap exists between tabulated information on different processors. No one fixed strategy consistently achieves good performance in all the regimes. Therefore, an adaptive distribution strategy, which blends PLP, URAN and PREF, is devised and implemented. It yields consistently good performance in all regimes. In the adaptive parallel

  2. A Computational Framework for Efficient Low Temperature Plasma Simulations

    Science.gov (United States)

    Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

    2016-10-01

    Over the past years, scientific computing has emerged as an essential tool for the investigation and prediction of low temperature plasmas (LTP) applications which includes electronics, nanomaterial synthesis, metamaterials etc. To further explore the LTP behavior with greater fidelity, we present a computational toolbox developed to perform LTP simulations. This framework will allow us to enhance our understanding of multiscale plasma phenomenon using high performance computing tools mainly based on OpenFOAM FVM distribution. Although aimed at microplasma simulations, the modular framework is able to perform multiscale, multiphysics simulations of physical systems comprises of LTP. Some salient introductory features are capability to perform parallel, 3D simulations of LTP applications on unstructured meshes. Performance of the solver is tested based on numerical results assessing accuracy and efficiency of benchmarks for problems in microdischarge devices. Numerical simulation of microplasma reactor at atmospheric pressure with hemispherical dielectric coated electrodes will be discussed and hence, provide an overview of applicability and future scope of this framework.

  3. Travel Efficiency Assessment Method: Three Case Studies

    Science.gov (United States)

    This slide presentation summarizes three case studies EPA conducted in partnership with Boston, Kansas City, and Tucson, to assess the potential benefits of employing travel efficiency strategies in these areas.

  4. Advances of evolutionary computation methods and operators

    CERN Document Server

    Cuevas, Erik; Oliva Navarro, Diego Alberto

    2016-01-01

    The goal of this book is to present advances that discuss alternative Evolutionary Computation (EC) developments and non-conventional operators which have proved to be effective in the solution of several complex problems. The book has been structured so that each chapter can be read independently from the others. The book contains nine chapters with the following themes: 1) Introduction, 2) the Social Spider Optimization (SSO), 3) the States of Matter Search (SMS), 4) the collective animal behavior (CAB) algorithm, 5) the Allostatic Optimization (AO) method, 6) the Locust Search (LS) algorithm, 7) the Adaptive Population with Reduced Evaluations (APRE) method, 8) the multimodal CAB, 9) the constrained SSO method.

  5. Computational Methods in Stochastic Dynamics Volume 2

    CERN Document Server

    Stefanou, George; Papadopoulos, Vissarion

    2013-01-01

    The considerable influence of inherent uncertainties on structural behavior has led the engineering community to recognize the importance of a stochastic approach to structural problems. Issues related to uncertainty quantification and its influence on the reliability of the computational models are continuously gaining in significance. In particular, the problems of dynamic response analysis and reliability assessment of structures with uncertain system and excitation parameters have been the subject of continuous research over the last two decades as a result of the increasing availability of powerful computing resources and technology.   This book is a follow up of a previous book with the same subject (ISBN 978-90-481-9986-0) and focuses on advanced computational methods and software tools which can highly assist in tackling complex problems in stochastic dynamic/seismic analysis and design of structures. The selected chapters are authored by some of the most active scholars in their respective areas and...

  6. Efficient universal computing architectures for decoding neural activity.

    Directory of Open Access Journals (Sweden)

    Benjamin I Rapoport

    Full Text Available The ability to decode neural activity into meaningful control signals for prosthetic devices is critical to the development of clinically useful brain- machine interfaces (BMIs. Such systems require input from tens to hundreds of brain-implanted recording electrodes in order to deliver robust and accurate performance; in serving that primary function they should also minimize power dissipation in order to avoid damaging neural tissue; and they should transmit data wirelessly in order to minimize the risk of infection associated with chronic, transcutaneous implants. Electronic architectures for brain- machine interfaces must therefore minimize size and power consumption, while maximizing the ability to compress data to be transmitted over limited-bandwidth wireless channels. Here we present a system of extremely low computational complexity, designed for real-time decoding of neural signals, and suited for highly scalable implantable systems. Our programmable architecture is an explicit implementation of a universal computing machine emulating the dynamics of a network of integrate-and-fire neurons; it requires no arithmetic operations except for counting, and decodes neural signals using only computationally inexpensive logic operations. The simplicity of this architecture does not compromise its ability to compress raw neural data by factors greater than [Formula: see text]. We describe a set of decoding algorithms based on this computational architecture, one designed to operate within an implanted system, minimizing its power consumption and data transmission bandwidth; and a complementary set of algorithms for learning, programming the decoder, and postprocessing the decoded output, designed to operate in an external, nonimplanted unit. The implementation of the implantable portion is estimated to require fewer than 5000 operations per second. A proof-of-concept, 32-channel field-programmable gate array (FPGA implementation of this portion

  7. Simplified method for calculating SNCR system efficiency

    Directory of Open Access Journals (Sweden)

    Pronobis Marek

    2017-01-01

    Full Text Available SNCR (Selective Non-Catalytic Reduction technology is aimed at reducing NOx emissions. SNCR efficiency is appropriately high only for the reaction temperature range called ‘the SNCR temperature window’. It is a narrow temperature range defined in various ways in the literature, which makes it difficult to evaluate the DeNOx system’s efficiency. Therefore, this study attempts to approximate the relationship between SNCR system efficiency and the flue gas temperature. The approximation was performed on the basis of literature data and verified using data from an experiment. Measurements were performed in a Polish boiler with a maximum continuous rating of 230 t/h. The verified, evaluated function could be used to forecast efficiency of SNCR systems in existing units that use urea or ammonia as a reagent. The approximation results are polynomial functions that depend on flue gas temperature, which fit the literature data with the coefficient of determination R2 = 0.83-0.86. Therefore, these equations could be used by the designer or operator of the boiler for preliminary determination of current SNCR system efficiency.

  8. BLUES function method in computational physics

    Science.gov (United States)

    Indekeu, Joseph O.; Müller-Nedebock, Kristian K.

    2018-04-01

    We introduce a computational method in physics that goes ‘beyond linear use of equation superposition’ (BLUES). A BLUES function is defined as a solution of a nonlinear differential equation (DE) with a delta source that is at the same time a Green’s function for a related linear DE. For an arbitrary source, the BLUES function can be used to construct an exact solution to the nonlinear DE with a different, but related source. Alternatively, the BLUES function can be used to construct an approximate piecewise analytical solution to the nonlinear DE with an arbitrary source. For this alternative use the related linear DE need not be known. The method is illustrated in a few examples using analytical calculations and numerical computations. Areas for further applications are suggested.

  9. Spatial analysis statistics, visualization, and computational methods

    CERN Document Server

    Oyana, Tonny J

    2015-01-01

    An introductory text for the next generation of geospatial analysts and data scientists, Spatial Analysis: Statistics, Visualization, and Computational Methods focuses on the fundamentals of spatial analysis using traditional, contemporary, and computational methods. Outlining both non-spatial and spatial statistical concepts, the authors present practical applications of geospatial data tools, techniques, and strategies in geographic studies. They offer a problem-based learning (PBL) approach to spatial analysis-containing hands-on problem-sets that can be worked out in MS Excel or ArcGIS-as well as detailed illustrations and numerous case studies. The book enables readers to: Identify types and characterize non-spatial and spatial data Demonstrate their competence to explore, visualize, summarize, analyze, optimize, and clearly present statistical data and results Construct testable hypotheses that require inferential statistical analysis Process spatial data, extract explanatory variables, conduct statisti...

  10. Computer Animation Based on Particle Methods

    Directory of Open Access Journals (Sweden)

    Rafal Wcislo

    1999-01-01

    Full Text Available The paper presents the main issues of a computer animation of a set of elastic macroscopic objects based on the particle method. The main assumption of the generated animations is to achieve very realistic movements in a scene observed on the computer display. The objects (solid bodies interact mechanically with each other, The movements and deformations of solids are calculated using the particle method. Phenomena connected with the behaviour of solids in the gravitational field, their defomtations caused by collisions and interactions with the optional liquid medium are simulated. The simulation ofthe liquid is performed using the cellular automata method. The paper presents both simulation schemes (particle method and cellular automata rules an the method of combining them in the single animation program. ln order to speed up the execution of the program the parallel version based on the network of workstation was developed. The paper describes the methods of the parallelization and it considers problems of load-balancing, collision detection, process synchronization and distributed control of the animation.

  11. New methods in efficient coal transportation

    Energy Technology Data Exchange (ETDEWEB)

    Monroe, C.O.; Wolach, D.G.; Alexander, A.B. [Savage Industries Inc., Salt Lake City, UT (United States)

    1998-10-01

    With the increasing trend towards railroad mergers in the USA, there is a growing awareness of competition and of the need for railroads to ensure a better value service. This paper discusses the concept of business process outsourcing and its potential to provide an efficient and integrated transport system for coal handling. Examples at US coal distribution facilities are given. 6 photos., 1 fig.

  12. Computational methods of electron/photon transport

    International Nuclear Information System (INIS)

    Mack, J.M.

    1983-01-01

    A review of computational methods simulating the non-plasma transport of electrons and their attendant cascades is presented. Remarks are mainly restricted to linearized formalisms at electron energies above 1 keV. The effectiveness of various metods is discussed including moments, point-kernel, invariant imbedding, discrete-ordinates, and Monte Carlo. Future research directions and the potential impact on various aspects of science and engineering are indicated

  13. Development of a computationally efficient algorithm for attitude estimation of a remote sensing satellite

    Science.gov (United States)

    Labibian, Amir; Bahrami, Amir Hossein; Haghshenas, Javad

    2017-09-01

    This paper presents a computationally efficient algorithm for attitude estimation of remote a sensing satellite. In this study, gyro, magnetometer, sun sensor and star tracker are used in Extended Kalman Filter (EKF) structure for the purpose of Attitude Determination (AD). However, utilizing all of the measurement data simultaneously in EKF structure increases computational burden. Specifically, assuming n observation vectors, an inverse of a 3n×3n matrix is required for gain calculation. In order to solve this problem, an efficient version of EKF, namely Murrell's version, is employed. This method utilizes measurements separately at each sampling time for gain computation. Therefore, an inverse of a 3n×3n matrix is replaced by an inverse of a 3×3 matrix for each measurement vector. Moreover, gyro drifts during the time can reduce the pointing accuracy. Therefore, a calibration algorithm is utilized for estimation of the main gyro parameters.

  14. Unified commutation-pruning technique for efficient computation of composite DFTs

    Science.gov (United States)

    Castro-Palazuelos, David E.; Medina-Melendrez, Modesto Gpe.; Torres-Roman, Deni L.; Shkvarko, Yuriy V.

    2015-12-01

    An efficient computation of a composite length discrete Fourier transform (DFT), as well as a fast Fourier transform (FFT) of both time and space data sequences in uncertain (non-sparse or sparse) computational scenarios, requires specific processing algorithms. Traditional algorithms typically employ some pruning methods without any commutations, which prevents them from attaining the potential computational efficiency. In this paper, we propose an alternative unified approach with automatic commutations between three computational modalities aimed at efficient computations of the pruned DFTs adapted for variable composite lengths of the non-sparse input-output data. The first modality is an implementation of the direct computation of a composite length DFT, the second one employs the second-order recursive filtering method, and the third one performs the new pruned decomposed transform. The pruned decomposed transform algorithm performs the decimation in time or space (DIT) data acquisition domain and, then, decimation in frequency (DIF). The unified combination of these three algorithms is addressed as the DFTCOMM technique. Based on the treatment of the combinational-type hypotheses testing optimization problem of preferable allocations between all feasible commuting-pruning modalities, we have found the global optimal solution to the pruning problem that always requires a fewer or, at most, the same number of arithmetic operations than other feasible modalities. The DFTCOMM method outperforms the existing competing pruning techniques in the sense of attainable savings in the number of required arithmetic operations. It requires fewer or at most the same number of arithmetic operations for its execution than any other of the competing pruning methods reported in the literature. Finally, we provide the comparison of the DFTCOMM with the recently developed sparse fast Fourier transform (SFFT) algorithmic family. We feature that, in the sensing scenarios with

  15. Automated Development of Accurate Algorithms and Efficient Codes for Computational Aeroacoustics

    Science.gov (United States)

    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

  16. Efficient O(N) recursive computation of the operational space inertial matrix

    International Nuclear Information System (INIS)

    Lilly, K.W.; Orin, D.E.

    1993-01-01

    The operational space inertia matrix Λ reflects the dynamic properties of a robot manipulator to its tip. In the control domain, it may be used to decouple force and/or motion control about the manipulator workspace axes. The matrix Λ also plays an important role in the development of efficient algorithms for the dynamic simulation of closed-chain robotic mechanisms, including simple closed-chain mechanisms such as multiple manipulator systems and walking machines. The traditional approach used to compute Λ has a computational complexity of O(N 3 ) for an N degree-of-freedom manipulator. This paper presents the development of a recursive algorithm for computing the operational space inertia matrix (OSIM) that reduces the computational complexity to O(N). This algorithm, the inertia propagation method, is based on a single recursion that begins at the base of the manipulator and progresses out to the last link. Also applicable to redundant systems and mechanisms with multiple-degree-of-freedom joints, the inertia propagation method is the most efficient method known for computing Λ for N ≥ 6. The numerical accuracy of the algorithm is discussed for a PUMA 560 robot with a fixed base

  17. Mathematical optics classical, quantum, and computational methods

    CERN Document Server

    Lakshminarayanan, Vasudevan

    2012-01-01

    Going beyond standard introductory texts, Mathematical Optics: Classical, Quantum, and Computational Methods brings together many new mathematical techniques from optical science and engineering research. Profusely illustrated, the book makes the material accessible to students and newcomers to the field. Divided into six parts, the text presents state-of-the-art mathematical methods and applications in classical optics, quantum optics, and image processing. Part I describes the use of phase space concepts to characterize optical beams and the application of dynamic programming in optical wave

  18. Computational electrodynamics the finite-difference time-domain method

    CERN Document Server

    Taflove, Allen

    2005-01-01

    This extensively revised and expanded third edition of the Artech House bestseller, Computational Electrodynamics: The Finite-Difference Time-Domain Method, offers engineers the most up-to-date and definitive resource on this critical method for solving Maxwell's equations. The method helps practitioners design antennas, wireless communications devices, high-speed digital and microwave circuits, and integrated optical devices with unsurpassed efficiency. There has been considerable advancement in FDTD computational technology over the past few years, and the third edition brings professionals the very latest details with entirely new chapters on important techniques, major updates on key topics, and new discussions on emerging areas such as nanophotonics. What's more, to supplement the third edition, the authors have created a Web site with solutions to problems, downloadable graphics and videos, and updates, making this new edition the ideal textbook on the subject as well.

  19. Methods for optimizing over the efficient and weakly efficient sets of an affine fractional vector optimization program

    DEFF Research Database (Denmark)

    Le, T.H.A.; Pham, D. T.; Canh, Nam Nguyen

    2010-01-01

    Both the efficient and weakly efficient sets of an affine fractional vector optimization problem, in general, are neither convex nor given explicitly. Optimization problems over one of these sets are thus nonconvex. We propose two methods for optimizing a real-valued function over the efficient...... and weakly efficient sets of an affine fractional vector optimization problem. The first method is a local one. By using a regularization function, we reformulate the problem into a standard smooth mathematical programming problem that allows applying available methods for smooth programming. In case...... the objective function is linear, we have investigated a global algorithm based upon a branch-and-bound procedure. The algorithm uses Lagrangian bound coupling with a simplicial bisection in the criteria space. Preliminary computational results show that the global algorithm is promising....

  20. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. I show how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems

  1. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    A variational method is developed for systematic numerical computation of physical quantities-bound state energies and scattering amplitudes-in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. An algorithm is presented for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. It is shown how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. It is shown how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. The author discusses the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, the author does not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. The method is applied to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. The author describes a computer implementation of the method and present numerical results for simple quantum mechanical systems

  2. EPA’s Travel Efficiency Method (TEAM) AMPO Presentation

    Science.gov (United States)

    Presentation describes EPA’s Travel Efficiency Assessment Method (TEAM) assessing potential travel efficiency strategies for reducing travel activity and emissions, includes reduction estimates in Vehicle Miles Traveled in four different geographic areas.

  3. Smoothing the payoff for efficient computation of Basket option prices

    KAUST Repository

    Bayer, Christian

    2017-07-22

    We consider the problem of pricing basket options in a multivariate Black–Scholes or Variance-Gamma model. From a numerical point of view, pricing such options corresponds to moderate and high-dimensional numerical integration problems with non-smooth integrands. Due to this lack of regularity, higher order numerical integration techniques may not be directly available, requiring the use of methods like Monte Carlo specifically designed to work for non-regular problems. We propose to use the inherent smoothing property of the density of the underlying in the above models to mollify the payoff function by means of an exact conditional expectation. The resulting conditional expectation is unbiased and yields a smooth integrand, which is amenable to the efficient use of adaptive sparse-grid cubature. Numerical examples indicate that the high-order method may perform orders of magnitude faster than Monte Carlo or Quasi Monte Carlo methods in dimensions up to 35.

  4. The differential method for grating efficiencies implemented in mathematica

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, V.; McKinney, W. [Lawrence Berkeley Lab., CA (United States); Palmer, C. [Milton Co., Rochester, NY (United States). Roy Analytical Products Div.

    1993-08-01

    In order to facilitate the accurate calculation of diffraction grating efficiencies in the soft x-ray region, we have implemented the differential method of Neviere and Vincent in Mathematica [1]. This simplifies the programming to maximize the transparency of the theory for the user. We alleviate some of the overhead burden of the Mathematica program by coding the time-consuming numerical integration in C subprograms. We recall the differential method directly from Maxwell`s equations. The pseudo-periodicity of the grating profile and the electromagnetic fields allows us to use their Fourier series expansions to formulate an infinite set of coupled differential equations. A finite subset of the equations are then numerically integrated using the Numerov method for the transverse electric (TE) case and a fourth-order Runge-Kutta algorithm for the transverse magnetic (TM) case. We have tested our program by comparisons with the scalar theory and with published theoretical results for the blazed, sinusoidal and square wave profiles. The Reciprocity Theorem has also been used as a means to verify the method. We have found it to be verified for several cases to within the computational accuracy of the method.

  5. Computationally Efficient 2D DOA Estimation with Uniform Rectangular Array in Low-Grazing Angle

    Directory of Open Access Journals (Sweden)

    Junpeng Shi

    2017-02-01

    Full Text Available In this paper, we propose a computationally efficient spatial differencing matrix set (SDMS method for two-dimensional direction of arrival (2D DOA estimation with uniform rectangular arrays (URAs in a low-grazing angle (LGA condition. By rearranging the auto-correlation and cross-correlation matrices in turn among different subarrays, the SDMS method can estimate the two parameters independently with one-dimensional (1D subspace-based estimation techniques, where we only perform difference for auto-correlation matrices and the cross-correlation matrices are kept completely. Then, the pair-matching of two parameters is achieved by extracting the diagonal elements of URA. Thus, the proposed method can decrease the computational complexity, suppress the effect of additive noise and also have little information loss. Simulation results show that, in LGA, compared to other methods, the proposed methods can achieve performance improvement in the white or colored noise conditions.

  6. Efficient scatter model for simulation of ultrasound images from computed tomography data

    Science.gov (United States)

    D'Amato, J. P.; Lo Vercio, L.; Rubi, P.; Fernandez Vera, E.; Barbuzza, R.; Del Fresno, M.; Larrabide, I.

    2015-12-01

    Background and motivation: Real-time ultrasound simulation refers to the process of computationally creating fully synthetic ultrasound images instantly. Due to the high value of specialized low cost training for healthcare professionals, there is a growing interest in the use of this technology and the development of high fidelity systems that simulate the acquisitions of echographic images. The objective is to create an efficient and reproducible simulator that can run either on notebooks or desktops using low cost devices. Materials and methods: We present an interactive ultrasound simulator based on CT data. This simulator is based on ray-casting and provides real-time interaction capabilities. The simulation of scattering that is coherent with the transducer position in real time is also introduced. Such noise is produced using a simplified model of multiplicative noise and convolution with point spread functions (PSF) tailored for this purpose. Results: The computational efficiency of scattering maps generation was revised with an improved performance. This allowed a more efficient simulation of coherent scattering in the synthetic echographic images while providing highly realistic result. We describe some quality and performance metrics to validate these results, where a performance of up to 55fps was achieved. Conclusion: The proposed technique for real-time scattering modeling provides realistic yet computationally efficient scatter distributions. The error between the original image and the simulated scattering image was compared for the proposed method and the state-of-the-art, showing negligible differences in its distribution.

  7. Method of generating a computer readable model

    DEFF Research Database (Denmark)

    2008-01-01

    A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element. The met......A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element....... The method comprises encoding a first and a second one of the construction elements as corresponding data structures, each representing the connection elements of the corresponding construction element, and each of the connection elements having associated with it a predetermined connection type. The method...... further comprises determining a first connection element of the first construction element and a second connection element of the second construction element located in a predetermined proximity of each other; and retrieving connectivity information of the corresponding connection types of the first...

  8. Computational method for free surface hydrodynamics

    International Nuclear Information System (INIS)

    Hirt, C.W.; Nichols, B.D.

    1980-01-01

    There are numerous flow phenomena in pressure vessel and piping systems that involve the dynamics of free fluid surfaces. For example, fluid interfaces must be considered during the draining or filling of tanks, in the formation and collapse of vapor bubbles, and in seismically shaken vessels that are partially filled. To aid in the analysis of these types of flow phenomena, a new technique has been developed for the computation of complicated free-surface motions. This technique is based on the concept of a local average volume of fluid (VOF) and is embodied in a computer program for two-dimensional, transient fluid flow called SOLA-VOF. The basic approach used in the VOF technique is briefly described, and compared to other free-surface methods. Specific capabilities of the SOLA-VOF program are illustrated by generic examples of bubble growth and collapse, flows of immiscible fluid mixtures, and the confinement of spilled liquids

  9. Soft Computing Methods for Disulfide Connectivity Prediction.

    Science.gov (United States)

    Márquez-Chamorro, Alfonso E; Aguilar-Ruiz, Jesús S

    2015-01-01

    The problem of protein structure prediction (PSP) is one of the main challenges in structural bioinformatics. To tackle this problem, PSP can be divided into several subproblems. One of these subproblems is the prediction of disulfide bonds. The disulfide connectivity prediction problem consists in identifying which nonadjacent cysteines would be cross-linked from all possible candidates. Determining the disulfide bond connectivity between the cysteines of a protein is desirable as a previous step of the 3D PSP, as the protein conformational search space is highly reduced. The most representative soft computing approaches for the disulfide bonds connectivity prediction problem of the last decade are summarized in this paper. Certain aspects, such as the different methodologies based on soft computing approaches (artificial neural network or support vector machine) or features of the algorithms, are used for the classification of these methods.

  10. An Efficient Computational Technique for Fractal Vehicular Traffic Flow

    Directory of Open Access Journals (Sweden)

    Devendra Kumar

    2018-04-01

    Full Text Available In this work, we examine a fractal vehicular traffic flow problem. The partial differential equations describing a fractal vehicular traffic flow are solved with the aid of the local fractional homotopy perturbation Sumudu transform scheme and the local fractional reduced differential transform method. Some illustrative examples are taken to describe the success of the suggested techniques. The results derived with the aid of the suggested schemes reveal that the present schemes are very efficient for obtaining the non-differentiable solution to fractal vehicular traffic flow problem.

  11. Time-efficient multidimensional threshold tracking method

    DEFF Research Database (Denmark)

    Fereczkowski, Michal; Kowalewski, Borys; Dau, Torsten

    2015-01-01

    Traditionally, adaptive methods have been used to reduce the time it takes to estimate psychoacoustic thresholds. However, even with adaptive methods, there are many cases where the testing time is too long to be clinically feasible, particularly when estimating thresholds as a function of anothe...

  12. Tensor network method for reversible classical computation

    Science.gov (United States)

    Yang, Zhi-Cheng; Kourtis, Stefanos; Chamon, Claudio; Mucciolo, Eduardo R.; Ruckenstein, Andrei E.

    2018-03-01

    We develop a tensor network technique that can solve universal reversible classical computational problems, formulated as vertex models on a square lattice [Nat. Commun. 8, 15303 (2017), 10.1038/ncomms15303]. By encoding the truth table of each vertex constraint in a tensor, the total number of solutions compatible with partial inputs and outputs at the boundary can be represented as the full contraction of a tensor network. We introduce an iterative compression-decimation (ICD) scheme that performs this contraction efficiently. The ICD algorithm first propagates local constraints to longer ranges via repeated contraction-decomposition sweeps over all lattice bonds, thus achieving compression on a given length scale. It then decimates the lattice via coarse-graining tensor contractions. Repeated iterations of these two steps gradually collapse the tensor network and ultimately yield the exact tensor trace for large systems, without the need for manual control of tensor dimensions. Our protocol allows us to obtain the exact number of solutions for computations where a naive enumeration would take astronomically long times.

  13. Computer-aided modeling framework for efficient model development, analysis and identification

    DEFF Research Database (Denmark)

    Heitzig, Martina; Sin, Gürkan; Sales Cruz, Mauricio

    2011-01-01

    Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy, and water. This trend is set to continue due to the substantial benefits computer-aided...... methods introduce. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms, and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task....... The methodology has been implemented into a computer-aided modeling framework, which combines expert skills, tools, and database connections that are required for the different steps of the model development work-flow with the goal to increase the efficiency of the modeling process. The framework has two main...

  14. An accurate and computationally efficient small-scale nonlinear FEA of flexible risers

    OpenAIRE

    Rahmati, MT; Bahai, H; Alfano, G

    2016-01-01

    This paper presents a highly efficient small-scale, detailed finite-element modelling method for flexible risers which can be effectively implemented in a fully-nested (FE2) multiscale analysis based on computational homogenisation. By exploiting cyclic symmetry and applying periodic boundary conditions, only a small fraction of a flexible pipe is used for a detailed nonlinear finite-element analysis at the small scale. In this model, using three-dimensional elements, all layer components are...

  15. Computational methods for nuclear criticality safety analysis

    International Nuclear Information System (INIS)

    Maragni, M.G.

    1992-01-01

    Nuclear criticality safety analyses require the utilization of methods which have been tested and verified against benchmarks results. In this work, criticality calculations based on the KENO-IV and MCNP codes are studied aiming the qualification of these methods at the IPEN-CNEN/SP and COPESP. The utilization of variance reduction techniques is important to reduce the computer execution time, and several of them are analysed. As practical example of the above methods, a criticality safety analysis for the storage tubes for irradiated fuel elements from the IEA-R1 research has been carried out. This analysis showed that the MCNP code is more adequate for problems with complex geometries, and the KENO-IV code shows conservative results when it is not used the generalized geometry option. (author)

  16. Computational Efficient Upscaling Methodology for Predicting Thermal Conductivity of Nuclear Waste forms

    International Nuclear Information System (INIS)

    Li, Dongsheng; Sun, Xin; Khaleel, Mohammad A.

    2011-01-01

    This study evaluated different upscaling methods to predict thermal conductivity in loaded nuclear waste form, a heterogeneous material system. The efficiency and accuracy of these methods were compared. Thermal conductivity in loaded nuclear waste form is an important property specific to scientific researchers, in waste form Integrated performance and safety code (IPSC). The effective thermal conductivity obtained from microstructure information and local thermal conductivity of different components is critical in predicting the life and performance of waste form during storage. How the heat generated during storage is directly related to thermal conductivity, which in turn determining the mechanical deformation behavior, corrosion resistance and aging performance. Several methods, including the Taylor model, Sachs model, self-consistent model, and statistical upscaling models were developed and implemented. Due to the absence of experimental data, prediction results from finite element method (FEM) were used as reference to determine the accuracy of different upscaling models. Micrographs from different loading of nuclear waste were used in the prediction of thermal conductivity. Prediction results demonstrated that in term of efficiency, boundary models (Taylor and Sachs model) are better than self consistent model, statistical upscaling method and FEM. Balancing the computation resource and accuracy, statistical upscaling is a computational efficient method in predicting effective thermal conductivity for nuclear waste form.

  17. Efficient relaxed-Jacobi smoothers for multigrid on parallel computers

    Science.gov (United States)

    Yang, Xiang; Mittal, Rajat

    2017-03-01

    In this Technical Note, we present a family of Jacobi-based multigrid smoothers suitable for the solution of discretized elliptic equations. These smoothers are based on the idea of scheduled-relaxation Jacobi proposed recently by Yang & Mittal (2014) [18] and employ two or three successive relaxed Jacobi iterations with relaxation factors derived so as to maximize the smoothing property of these iterations. The performance of these new smoothers measured in terms of convergence acceleration and computational workload, is assessed for multi-domain implementations typical of parallelized solvers, and compared to the lexicographic point Gauss-Seidel smoother. The tests include the geometric multigrid method on structured grids as well as the algebraic grid method on unstructured grids. The tests demonstrate that unlike Gauss-Seidel, the convergence of these Jacobi-based smoothers is unaffected by domain decomposition, and furthermore, they outperform the lexicographic Gauss-Seidel by factors that increase with domain partition count.

  18. Improved computation method in residual life estimation of structural components

    Directory of Open Access Journals (Sweden)

    Maksimović Stevan M.

    2013-01-01

    Full Text Available This work considers the numerical computation methods and procedures for the fatigue crack growth predicting of cracked notched structural components. Computation method is based on fatigue life prediction using the strain energy density approach. Based on the strain energy density (SED theory, a fatigue crack growth model is developed to predict the lifetime of fatigue crack growth for single or mixed mode cracks. The model is based on an equation expressed in terms of low cycle fatigue parameters. Attention is focused on crack growth analysis of structural components under variable amplitude loads. Crack growth is largely influenced by the effect of the plastic zone at the front of the crack. To obtain efficient computation model plasticity-induced crack closure phenomenon is considered during fatigue crack growth. The use of the strain energy density method is efficient for fatigue crack growth prediction under cyclic loading in damaged structural components. Strain energy density method is easy for engineering applications since it does not require any additional determination of fatigue parameters (those would need to be separately determined for fatigue crack propagation phase, and low cyclic fatigue parameters are used instead. Accurate determination of fatigue crack closure has been a complex task for years. The influence of this phenomenon can be considered by means of experimental and numerical methods. Both of these models are considered. Finite element analysis (FEA has been shown to be a powerful and useful tool1,6 to analyze crack growth and crack closure effects. Computation results are compared with available experimental results. [Projekat Ministarstva nauke Republike Srbije, br. OI 174001

  19. Benchmarking DFT and semi-empirical methods for a reliable and cost-efficient computational screening of benzofulvene derivatives as donor materials for small-molecule organic solar cells.

    Science.gov (United States)

    Tortorella, Sara; Talamo, Maurizio Mastropasqua; Cardone, Antonio; Pastore, Mariachiara; De Angelis, Filippo

    2016-02-24

    A systematic computational investigation on the optical properties of a group of novel benzofulvene derivatives (Martinelli 2014 Org. Lett. 16 3424-7), proposed as possible donor materials in small molecule organic photovoltaic (smOPV) devices, is presented. A benchmark evaluation against experimental results on the accuracy of different exchange and correlation functionals and semi-empirical methods in predicting both reliable ground state equilibrium geometries and electronic absorption spectra is carried out. The benchmark of the geometry optimization level indicated that the best agreement with x-ray data is achieved by using the B3LYP functional. Concerning the optical gap prediction, we found that, among the employed functionals, MPW1K provides the most accurate excitation energies over the entire set of benzofulvenes. Similarly reliable results were also obtained for range-separated hybrid functionals (CAM-B3LYP and wB97XD) and for global hybrid methods incorporating a large amount of non-local exchange (M06-2X and M06-HF). Density functional theory (DFT) hybrids with a moderate (about 20-30%) extent of Hartree-Fock exchange (HFexc) (PBE0, B3LYP and M06) were also found to deliver HOMO-LUMO energy gaps which compare well with the experimental absorption maxima, thus representing a valuable alternative for a prompt and predictive estimation of the optical gap. The possibility of using completely semi-empirical approaches (AM1/ZINDO) is also discussed.

  20. Benchmarking DFT and semi-empirical methods for a reliable and cost-efficient computational screening of benzofulvene derivatives as donor materials for small-molecule organic solar cells

    International Nuclear Information System (INIS)

    Tortorella, Sara; Talamo, Maurizio Mastropasqua; Cardone, Antonio; Pastore, Mariachiara; De Angelis, Filippo

    2016-01-01

    A systematic computational investigation on the optical properties of a group of novel benzofulvene derivatives (Martinelli 2014 Org. Lett. 16 3424–7), proposed as possible donor materials in small molecule organic photovoltaic (smOPV) devices, is presented. A benchmark evaluation against experimental results on the accuracy of different exchange and correlation functionals and semi-empirical methods in predicting both reliable ground state equilibrium geometries and electronic absorption spectra is carried out. The benchmark of the geometry optimization level indicated that the best agreement with x-ray data is achieved by using the B3LYP functional. Concerning the optical gap prediction, we found that, among the employed functionals, MPW1K provides the most accurate excitation energies over the entire set of benzofulvenes. Similarly reliable results were also obtained for range-separated hybrid functionals (CAM-B3LYP and wB97XD) and for global hybrid methods incorporating a large amount of non-local exchange (M06-2X and M06-HF). Density functional theory (DFT) hybrids with a moderate (about 20–30%) extent of Hartree–Fock exchange (HFexc) (PBE0, B3LYP and M06) were also found to deliver HOMO–LUMO energy gaps which compare well with the experimental absorption maxima, thus representing a valuable alternative for a prompt and predictive estimation of the optical gap. The possibility of using completely semi-empirical approaches (AM1/ZINDO) is also discussed. (paper)

  1. Efficient Design Methods for Embedded Communication Systems

    Directory of Open Access Journals (Sweden)

    Holzer M

    2006-01-01

    Full Text Available Nowadays, design of embedded systems is confronted with complex signal processing algorithms and a multitude of computational intensive multimedia applications, while time to product launch has been extremely reduced. Especially in the wireless domain, those challenges are stacked with tough requirements on power consumption and chip size. Unfortunately, design productivity did not undergo a similar progression, and therefore fails to cope with the heterogeneity of modern architectures. Electronic design automation tools exhibit deep gaps in the design flow like high-level characterization of algorithms, floating-point to fixed-point conversion, hardware/software partitioning, and virtual prototyping. This tutorial paper surveys several promising approaches to solve the widespread design problems in this field. An overview over consistent design methodologies that establish a framework for connecting the different design tasks is given. This is followed by a discussion of solutions for the integrated automation of specific design tasks.

  2. Efficient pseudospectral methods for density functional calculations

    International Nuclear Information System (INIS)

    Murphy, R. B.; Cao, Y.; Beachy, M. D.; Ringnalda, M. N.; Friesner, R. A.

    2000-01-01

    Novel improvements of the pseudospectral method for assembling the Coulomb operator are discussed. These improvements consist of a fast atom centered multipole method and a variation of the Head-Gordan J-engine analytic integral evaluation. The details of the methodology are discussed and performance evaluations presented for larger molecules within the context of DFT energy and gradient calculations. (c) 2000 American Institute of Physics

  3. Evolutionary Computing Methods for Spectral Retrieval

    Science.gov (United States)

    Terrile, Richard; Fink, Wolfgang; Huntsberger, Terrance; Lee, Seugwon; Tisdale, Edwin; VonAllmen, Paul; Tinetti, Geivanna

    2009-01-01

    A methodology for processing spectral images to retrieve information on underlying physical, chemical, and/or biological phenomena is based on evolutionary and related computational methods implemented in software. In a typical case, the solution (the information that one seeks to retrieve) consists of parameters of a mathematical model that represents one or more of the phenomena of interest. The methodology was developed for the initial purpose of retrieving the desired information from spectral image data acquired by remote-sensing instruments aimed at planets (including the Earth). Examples of information desired in such applications include trace gas concentrations, temperature profiles, surface types, day/night fractions, cloud/aerosol fractions, seasons, and viewing angles. The methodology is also potentially useful for retrieving information on chemical and/or biological hazards in terrestrial settings. In this methodology, one utilizes an iterative process that minimizes a fitness function indicative of the degree of dissimilarity between observed and synthetic spectral and angular data. The evolutionary computing methods that lie at the heart of this process yield a population of solutions (sets of the desired parameters) within an accuracy represented by a fitness-function value specified by the user. The evolutionary computing methods (ECM) used in this methodology are Genetic Algorithms and Simulated Annealing, both of which are well-established optimization techniques and have also been described in previous NASA Tech Briefs articles. These are embedded in a conceptual framework, represented in the architecture of the implementing software, that enables automatic retrieval of spectral and angular data and analysis of the retrieved solutions for uniqueness.

  4. Ringing Artefact Reduction By An Efficient Likelihood Improvement Method

    Science.gov (United States)

    Fuderer, Miha

    1989-10-01

    In MR imaging, the extent of the acquired spatial frequencies of the object is necessarily finite. The resulting image shows artefacts caused by "truncation" of its Fourier components. These are known as Gibbs artefacts or ringing artefacts. These artefacts are particularly. visible when the time-saving reduced acquisition method is used, say, when scanning only the lowest 70% of the 256 data lines. Filtering the data results in loss of resolution. A method is described that estimates the high frequency data from the low-frequency data lines, with the likelihood of the image as criterion. It is a computationally very efficient method, since it requires practically only two extra Fourier transforms, in addition to the normal. reconstruction. The results of this method on MR images of human subjects are promising. Evaluations on a 70% acquisition image show about 20% decrease of the error energy after processing. "Error energy" is defined as the total power of the difference to a 256-data-lines reference image. The elimination of ringing artefacts then appears almost complete..

  5. Statistical methods towards more efficient infiltration measurements.

    Science.gov (United States)

    Franz, T; Krebs, P

    2006-01-01

    A comprehensive knowledge about the infiltration situation in a catchment is required for operation and maintenance. Due to the high expenditures, an optimisation of necessary measurement campaigns is essential. Methods based on multivariate statistics were developed to improve the information yield of measurements by identifying appropriate gauge locations. The methods have a high degree of freedom against data needs. They were successfully tested on real and artificial data. For suitable catchments, it is estimated that the optimisation potential amounts up to 30% accuracy improvement compared to nonoptimised gauge distributions. Beside this, a correlation between independent reach parameters and dependent infiltration rates could be identified, which is not dominated by the groundwater head.

  6. Efficient Training Methods for Conditional Random Fields

    Science.gov (United States)

    2008-02-01

    Learning (ICML), 2007. [63] Bruce G. Lindsay. Composite likelihood methods. Contemporary Mathematics, pages 221–239, 1988. 189 [64] Yan Liu, Jaime ...Conference on Machine Learning (ICML), pages 737–744, 2005. [107] Erik F. Tjong Kim Sang and Sabine Buchholz. Introduction to the CoNLL-2000 shared task

  7. Efficient orbit integration by manifold correction methods.

    Science.gov (United States)

    Fukushima, Toshio

    2005-12-01

    Triggered by a desire to investigate, numerically, the planetary precession through a long-term numerical integration of the solar system, we developed a new formulation of numerical integration of orbital motion named manifold correct on methods. The main trick is to rigorously retain the consistency of physical relations, such as the orbital energy, the orbital angular momentum, or the Laplace integral, of a binary subsystem. This maintenance is done by applying a correction to the integrated variables at each integration step. Typical methods of correction are certain geometric transformations, such as spatial scaling and spatial rotation, which are commonly used in the comparison of reference frames, or mathematically reasonable operations, such as modularization of angle variables into the standard domain [-pi, pi). The form of the manifold correction methods finally evolved are the orbital longitude methods, which enable us to conduct an extremely precise integration of orbital motions. In unperturbed orbits, the integration errors are suppressed at the machine epsilon level for an indefinitely long period. In perturbed cases, on the other hand, the errors initially grow in proportion to the square root of time and then increase more rapidly, the onset of which depends on the type and magnitude of the perturbations. This feature is also realized for highly eccentric orbits by applying the same idea as used in KS-regularization. In particular, the introduction of time elements greatly enhances the performance of numerical integration of KS-regularized orbits, whether the scaling is applied or not.

  8. Variational-moment method for computing magnetohydrodynamic equilibria

    International Nuclear Information System (INIS)

    Lao, L.L.

    1983-08-01

    A fast yet accurate method to compute magnetohydrodynamic equilibria is provided by the variational-moment method, which is similar to the classical Rayleigh-Ritz-Galerkin approximation. The equilibrium solution sought is decomposed into a spectral representation. The partial differential equations describing the equilibrium are then recast into their equivalent variational form and systematically reduced to an optimum finite set of coupled ordinary differential equations. An appropriate spectral decomposition can make the series representing the solution coverge rapidly and hence substantially reduces the amount of computational time involved. The moment method was developed first to compute fixed-boundary inverse equilibria in axisymmetric toroidal geometry, and was demonstrated to be both efficient and accurate. The method since has been generalized to calculate free-boundary axisymmetric equilibria, to include toroidal plasma rotation and pressure anisotropy, and to treat three-dimensional toroidal geometry. In all these formulations, the flux surfaces are assumed to be smooth and nested so that the solutions can be decomposed in Fourier series in inverse coordinates. These recent developments and the advantages and limitations of the moment method are reviewed. The use of alternate coordinates for decomposition is discussed

  9. Computationally efficient model predictive control algorithms a neural network approach

    CERN Document Server

    Ławryńczuk, Maciej

    2014-01-01

    This book thoroughly discusses computationally efficient (suboptimal) Model Predictive Control (MPC) techniques based on neural models. The subjects treated include: ·         A few types of suboptimal MPC algorithms in which a linear approximation of the model or of the predicted trajectory is successively calculated on-line and used for prediction. ·         Implementation details of the MPC algorithms for feedforward perceptron neural models, neural Hammerstein models, neural Wiener models and state-space neural models. ·         The MPC algorithms based on neural multi-models (inspired by the idea of predictive control). ·         The MPC algorithms with neural approximation with no on-line linearization. ·         The MPC algorithms with guaranteed stability and robustness. ·         Cooperation between the MPC algorithms and set-point optimization. Thanks to linearization (or neural approximation), the presented suboptimal algorithms do not require d...

  10. Geometric computations with interval and new robust methods applications in computer graphics, GIS and computational geometry

    CERN Document Server

    Ratschek, H

    2003-01-01

    This undergraduate and postgraduate text will familiarise readers with interval arithmetic and related tools to gain reliable and validated results and logically correct decisions for a variety of geometric computations plus the means for alleviating the effects of the errors. It also considers computations on geometric point-sets, which are neither robust nor reliable in processing with standard methods. The authors provide two effective tools for obtaining correct results: (a) interval arithmetic, and (b) ESSA the new powerful algorithm which improves many geometric computations and makes th

  11. The Effect of Computer Automation on Institutional Review Board (IRB) Office Efficiency

    Science.gov (United States)

    Oder, Karl; Pittman, Stephanie

    2015-01-01

    Companies purchase computer systems to make their processes more efficient through automation. Some academic medical centers (AMC) have purchased computer systems for their institutional review boards (IRB) to increase efficiency and compliance with regulations. IRB computer systems are expensive to purchase, deploy, and maintain. An AMC should…

  12. Method for Household Refrigerators Efficiency Increasing

    Science.gov (United States)

    Lebedev, V. V.; Sumzina, L. V.; Maksimov, A. V.

    2017-11-01

    The relevance of working processes parameters optimization in air conditioning systems is proved in the work. The research is performed with the use of the simulation modeling method. The parameters optimization criteria are considered, the analysis of target functions is given while the key factors of technical and economic optimization are considered in the article. The search for the optimal solution at multi-purpose optimization of the system is made by finding out the minimum of the dual-target vector created by the Pareto method of linear and weight compromises from target functions of the total capital costs and total operating costs. The tasks are solved in the MathCAD environment. The research results show that the values of technical and economic parameters of air conditioning systems in the areas relating to the optimum solutions’ areas manifest considerable deviations from the minimum values. At the same time, the tendencies for significant growth in deviations take place at removal of technical parameters from the optimal values of both the capital investments and operating costs. The production and operation of conditioners with the parameters which are considerably deviating from the optimal values will lead to the increase of material and power costs. The research allows one to establish the borders of the area of the optimal values for technical and economic parameters at air conditioning systems’ design.

  13. An assessment of diagnostic efficiency by Taguchi/DEA methods.

    Science.gov (United States)

    Taner, Mehmet Tolga; Sezen, Bulent

    2009-01-01

    The aim of this paper is to propose a new, objective and consistent method for the calculation of the diagnostic efficiency in medical applications. In this study, a hybrid method of Taguchi and DEA is proposed. This method reflects the diversity of inputs and outputs by incorporating the stepwise application of sensitivity, specificity, leveling threshold, and efficiency score. A hypothetical case study is given which involves eight readers of X-ray films in clinical radiology. The selected pairs of sensitivity and specificity yielded two efficient readers. After super efficiency analysis, Reader 6 is found to be the most efficient reader. The paper presents a new, objective and consistent method for the calculation of the diagnostic efficiency in medical applications.

  14. Solving the Coupled System Improves Computational Efficiency of the Bidomain Equations

    KAUST Repository

    Southern, J.A.; Plank, G.; Vigmond, E.J.; Whiteley, J.P.

    2009-01-01

    The bidomain equations are frequently used to model the propagation of cardiac action potentials across cardiac tissue. At the whole organ level, the size of the computational mesh required makes their solution a significant computational challenge. As the accuracy of the numerical solution cannot be compromised, efficiency of the solution technique is important to ensure that the results of the simulation can be obtained in a reasonable time while still encapsulating the complexities of the system. In an attempt to increase efficiency of the solver, the bidomain equations are often decoupled into one parabolic equation that is computationally very cheap to solve and an elliptic equation that is much more expensive to solve. In this study, the performance of this uncoupled solution method is compared with an alternative strategy in which the bidomain equations are solved as a coupled system. This seems counterintuitive as the alternative method requires the solution of a much larger linear system at each time step. However, in tests on two 3-D rabbit ventricle benchmarks, it is shown that the coupled method is up to 80% faster than the conventional uncoupled method-and that parallel performance is better for the larger coupled problem.

  15. Solving the Coupled System Improves Computational Efficiency of the Bidomain Equations

    KAUST Repository

    Southern, J.A.

    2009-10-01

    The bidomain equations are frequently used to model the propagation of cardiac action potentials across cardiac tissue. At the whole organ level, the size of the computational mesh required makes their solution a significant computational challenge. As the accuracy of the numerical solution cannot be compromised, efficiency of the solution technique is important to ensure that the results of the simulation can be obtained in a reasonable time while still encapsulating the complexities of the system. In an attempt to increase efficiency of the solver, the bidomain equations are often decoupled into one parabolic equation that is computationally very cheap to solve and an elliptic equation that is much more expensive to solve. In this study, the performance of this uncoupled solution method is compared with an alternative strategy in which the bidomain equations are solved as a coupled system. This seems counterintuitive as the alternative method requires the solution of a much larger linear system at each time step. However, in tests on two 3-D rabbit ventricle benchmarks, it is shown that the coupled method is up to 80% faster than the conventional uncoupled method-and that parallel performance is better for the larger coupled problem.

  16. Talbot's method for the numerical inversion of Laplace transforms: an implementation for personal computers

    International Nuclear Information System (INIS)

    Garratt, T.J.

    1989-05-01

    Safety assessments of radioactive waste disposal require efficient computer models for the important processes. The present paper is based on an efficient computational technique which can be used to solve a wide variety of safety assessment models. It involves the numerical inversion of analytical solutions to the Laplace-transformed differential equations using a method proposed by Talbot. This method has been implemented on a personal computer in a user-friendly manner. The steps required to implement a particular transform and run the program are outlined. Four examples are described which illustrate the flexibility, accuracy and efficiency of the program. The improvements in computational efficiency described in this paper have application to the probabilistic safety assessment codes ESCORT and MASCOT which are currently under development. Also, it is hoped that the present work will form the basis of software for personal computers which could be used to demonstrate safety assessment procedures to a wide audience. (author)

  17. New efficient methods for calculating watersheds

    International Nuclear Information System (INIS)

    Fehr, E; Andrade, J S Jr; Herrmann, H J; Kadau, D; Moukarzel, C F; Da Cunha, S D; Da Silva, L R; Oliveira, E A

    2009-01-01

    We present an advanced algorithm for the determination of watershed lines on digital elevation models (DEMs) which is based on the iterative application of invasion percolation (IP). The main advantage of our method over previously proposed ones is that it has a sub-linear time-complexity. This enables us to process systems comprising up to 10 8 sites in a few CPU seconds. Using our algorithm we are able to demonstrate, convincingly and with high accuracy, the fractal character of watershed lines. We find the fractal dimension of watersheds to be D f = 1.211 ± 0.001 for artificial landscapes, D f = 1.10 ± 0.01 for the Alps and D f = 1.11 ± 0.01 for the Himalayas

  18. Computational electromagnetic methods for transcranial magnetic stimulation

    Science.gov (United States)

    Gomez, Luis J.

    Transcranial magnetic stimulation (TMS) is a noninvasive technique used both as a research tool for cognitive neuroscience and as a FDA approved treatment for depression. During TMS, coils positioned near the scalp generate electric fields and activate targeted brain regions. In this thesis, several computational electromagnetics methods that improve the analysis, design, and uncertainty quantification of TMS systems were developed. Analysis: A new fast direct technique for solving the large and sparse linear system of equations (LSEs) arising from the finite difference (FD) discretization of Maxwell's quasi-static equations was developed. Following a factorization step, the solver permits computation of TMS fields inside realistic brain models in seconds, allowing for patient-specific real-time usage during TMS. The solver is an alternative to iterative methods for solving FD LSEs, often requiring run-times of minutes. A new integral equation (IE) method for analyzing TMS fields was developed. The human head is highly-heterogeneous and characterized by high-relative permittivities (107). IE techniques for analyzing electromagnetic interactions with such media suffer from high-contrast and low-frequency breakdowns. The novel high-permittivity and low-frequency stable internally combined volume-surface IE method developed. The method not only applies to the analysis of high-permittivity objects, but it is also the first IE tool that is stable when analyzing highly-inhomogeneous negative permittivity plasmas. Design: TMS applications call for electric fields to be sharply focused on regions that lie deep inside the brain. Unfortunately, fields generated by present-day Figure-8 coils stimulate relatively large regions near the brain surface. An optimization method for designing single feed TMS coil-arrays capable of producing more localized and deeper stimulation was developed. Results show that the coil-arrays stimulate 2.4 cm into the head while stimulating 3

  19. Parallel scalability and efficiency of vortex particle method for aeroelasticity analysis of bluff bodies

    Science.gov (United States)

    Tolba, Khaled Ibrahim; Morgenthal, Guido

    2018-01-01

    This paper presents an analysis of the scalability and efficiency of a simulation framework based on the vortex particle method. The code is applied for the numerical aerodynamic analysis of line-like structures. The numerical code runs on multicore CPU and GPU architectures using OpenCL framework. The focus of this paper is the analysis of the parallel efficiency and scalability of the method being applied to an engineering test case, specifically the aeroelastic response of a long-span bridge girder at the construction stage. The target is to assess the optimal configuration and the required computer architecture, such that it becomes feasible to efficiently utilise the method within the computational resources available for a regular engineering office. The simulations and the scalability analysis are performed on a regular gaming type computer.

  20. Applications of meshless methods for damage computations with finite strains

    International Nuclear Information System (INIS)

    Pan Xiaofei; Yuan Huang

    2009-01-01

    Material defects such as cavities have great effects on the damage process in ductile materials. Computations based on finite element methods (FEMs) often suffer from instability due to material failure as well as large distortions. To improve computational efficiency and robustness the element-free Galerkin (EFG) method is applied in the micro-mechanical constitute damage model proposed by Gurson and modified by Tvergaard and Needleman (the GTN damage model). The EFG algorithm is implemented in the general purpose finite element code ABAQUS via the user interface UEL. With the help of the EFG method, damage processes in uniaxial tension specimens and notched specimens are analyzed and verified with experimental data. Computational results reveal that the damage which takes place in the interior of specimens will extend to the exterior and cause fracture of specimens; the damage is a fast procedure relative to the whole tensing process. The EFG method provides more stable and robust numerical solution in comparing with the FEM analysis

  1. Efficient computation of the joint sample frequency spectra for multiple populations.

    Science.gov (United States)

    Kamm, John A; Terhorst, Jonathan; Song, Yun S

    2017-01-01

    A wide range of studies in population genetics have employed the sample frequency spectrum (SFS), a summary statistic which describes the distribution of mutant alleles at a polymorphic site in a sample of DNA sequences and provides a highly efficient dimensional reduction of large-scale population genomic variation data. Recently, there has been much interest in analyzing the joint SFS data from multiple populations to infer parameters of complex demographic histories, including variable population sizes, population split times, migration rates, admixture proportions, and so on. SFS-based inference methods require accurate computation of the expected SFS under a given demographic model. Although much methodological progress has been made, existing methods suffer from numerical instability and high computational complexity when multiple populations are involved and the sample size is large. In this paper, we present new analytic formulas and algorithms that enable accurate, efficient computation of the expected joint SFS for thousands of individuals sampled from hundreds of populations related by a complex demographic model with arbitrary population size histories (including piecewise-exponential growth). Our results are implemented in a new software package called momi (MOran Models for Inference). Through an empirical study we demonstrate our improvements to numerical stability and computational complexity.

  2. Computationally efficient SVM multi-class image recognition with confidence measures

    International Nuclear Information System (INIS)

    Makili, Lazaro; Vega, Jesus; Dormido-Canto, Sebastian; Pastor, Ignacio; Murari, Andrea

    2011-01-01

    Typically, machine learning methods produce non-qualified estimates, i.e. the accuracy and reliability of the predictions are not provided. Transductive predictors are very recent classifiers able to provide, simultaneously with the prediction, a couple of values (confidence and credibility) to reflect the quality of the prediction. Usually, a drawback of the transductive techniques for huge datasets and large dimensionality is the high computational time. To overcome this issue, a more efficient classifier has been used in a multi-class image classification problem in the TJ-II stellarator database. It is based on the creation of a hash function to generate several 'one versus the rest' classifiers for every class. By using Support Vector Machines as the underlying classifier, a comparison between the pure transductive approach and the new method has been performed. In both cases, the success rates are high and the computation time with the new method is up to 0.4 times the old one.

  3. Efficiency profile method to study the hit efficiency of drift chambers

    International Nuclear Information System (INIS)

    Abyzov, A.; Bel'kov, A.; Lanev, A.; Spiridonov, A.; Walter, M.; Hulsbergen, W.

    2002-01-01

    A method based on the usage of efficiency profile is proposed to estimate the hit efficiency of drift chambers with a large number of channels. The performance of the method under real conditions of the detector operation has been tested analysing the experimental data from the HERA-B drift chambers

  4. Balancing Accuracy and Computational Efficiency for Ternary Gas Hydrate Systems

    Science.gov (United States)

    White, M. D.

    2011-12-01

    phase transitions. This paper describes and demonstrates a numerical solution scheme for ternary hydrate systems that seeks a balance between accuracy and computational efficiency. This scheme uses a generalize cubic equation of state, functional forms for the hydrate equilibria and cage occupancies, variable switching scheme for phase transitions, and kinetic exchange of hydrate formers (i.e., CH4, CO2, and N2) between the mobile phases (i.e., aqueous, liquid CO2, and gas) and hydrate phase. Accuracy of the scheme will be evaluated by comparing property values and phase equilibria against experimental data. Computational efficiency of the scheme will be evaluated by comparing the base scheme against variants. The application of interest will the production of a natural gas hydrate deposit from a geologic formation, using the guest molecule exchange process; where, a mixture of CO2 and N2 are injected into the formation. During the guest-molecule exchange, CO2 and N2 will predominately replace CH4 in the large and small cages of the sI structure, respectively.

  5. An efficient method for hybrid density functional calculation with spin-orbit coupling

    Science.gov (United States)

    Wang, Maoyuan; Liu, Gui-Bin; Guo, Hong; Yao, Yugui

    2018-03-01

    In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When spin-orbit coupling (SOC) is taken into account, the non-collinear spin structure increases computing effort by at least eight times. As a result, hybrid functional calculations with SOC are intractable in most cases. In this paper, we present an approximate solution to this problem by developing an efficient method based on a mixed linear combination of atomic orbital (LCAO) scheme. We demonstrate the power of this method using several examples and we show that the results compare very well with those of direct hybrid functional calculations with SOC, yet the method only requires a computing effort similar to that without SOC. The presented technique provides a good balance between computing efficiency and accuracy, and it can be extended to magnetic materials.

  6. Research on an efficient preconditioner using GMRES method for the MOC

    International Nuclear Information System (INIS)

    Takeda, Satoshi; Kitada, Takanori; Smith, Michael A.

    2011-01-01

    The modeling accuracy of reactor analysis techniques has improved considerably with the progressive improvements in computational capabilities. The method of characteristics (MOC) solves the neutron transport equation using tracking lines which simulates the neutron paths. The MOC is an accurate calculation method and is becoming a major solver because of the rapid advancement of the computer. In this methodology, the transport equation is discretized into many spatial meshes and energy wise groups. And the discretization generates a large system which needs a lot of computational costs. To reduce computational costs of MOC calculation, we investigate the Generalized Minimal RESidual (GMRES) method as an accelerator and developed an efficient preconditioner for the MOC calculation. The preconditioner we developed was made by simplifying rigorous preconditioner. And the efficiency was verified by comparing the number of iterations which is calculated by one dimensional MOC code

  7. Efficient universal quantum channel simulation in IBM's cloud quantum computer

    Science.gov (United States)

    Wei, Shi-Jie; Xin, Tao; Long, Gui-Lu

    2018-07-01

    The study of quantum channels is an important field and promises a wide range of applications, because any physical process can be represented as a quantum channel that transforms an initial state into a final state. Inspired by the method of performing non-unitary operators by the linear combination of unitary operations, we proposed a quantum algorithm for the simulation of the universal single-qubit channel, described by a convex combination of "quasi-extreme" channels corresponding to four Kraus operators, and is scalable to arbitrary higher dimension. We demonstrated the whole algorithm experimentally using the universal IBM cloud-based quantum computer and studied the properties of different qubit quantum channels. We illustrated the quantum capacity of the general qubit quantum channels, which quantifies the amount of quantum information that can be protected. The behavior of quantum capacity in different channels revealed which types of noise processes can support information transmission, and which types are too destructive to protect information. There was a general agreement between the theoretical predictions and the experiments, which strongly supports our method. By realizing the arbitrary qubit channel, this work provides a universally- accepted way to explore various properties of quantum channels and novel prospect for quantum communication.

  8. Modules and methods for all photonic computing

    Science.gov (United States)

    Schultz, David R.; Ma, Chao Hung

    2001-01-01

    A method for all photonic computing, comprising the steps of: encoding a first optical/electro-optical element with a two dimensional mathematical function representing input data; illuminating the first optical/electro-optical element with a collimated beam of light; illuminating a second optical/electro-optical element with light from the first optical/electro-optical element, the second optical/electro-optical element having a characteristic response corresponding to an iterative algorithm useful for solving a partial differential equation; iteratively recirculating the signal through the second optical/electro-optical element with light from the second optical/electro-optical element for a predetermined number of iterations; and, after the predetermined number of iterations, optically and/or electro-optically collecting output data representing an iterative optical solution from the second optical/electro-optical element.

  9. Optical design teaching by computing graphic methods

    Science.gov (United States)

    Vazquez-Molini, D.; Muñoz-Luna, J.; Fernandez-Balbuena, A. A.; Garcia-Botella, A.; Belloni, P.; Alda, J.

    2012-10-01

    One of the key challenges in the teaching of Optics is that students need to know not only the math of the optical design, but also, and more important, to grasp and understand the optics in a three-dimensional space. Having a clear image of the problem to solve is the first step in order to begin to solve that problem. Therefore to achieve that the students not only must know the equation of refraction law but they have also to understand how the main parameters of this law are interacting among them. This should be a major goal in the teaching course. Optical graphic methods are a valuable tool in this way since they have the advantage of visual information and the accuracy of a computer calculation.

  10. Evolutionary dynamics on graphs: Efficient method for weak selection

    Science.gov (United States)

    Fu, Feng; Wang, Long; Nowak, Martin A.; Hauert, Christoph

    2009-04-01

    Investigating the evolutionary dynamics of game theoretical interactions in populations where individuals are arranged on a graph can be challenging in terms of computation time. Here, we propose an efficient method to study any type of game on arbitrary graph structures for weak selection. In this limit, evolutionary game dynamics represents a first-order correction to neutral evolution. Spatial correlations can be empirically determined under neutral evolution and provide the basis for formulating the game dynamics as a discrete Markov process by incorporating a detailed description of the microscopic dynamics based on the neutral correlations. This framework is then applied to one of the most intriguing questions in evolutionary biology: the evolution of cooperation. We demonstrate that the degree heterogeneity of a graph impedes cooperation and that the success of tit for tat depends not only on the number of rounds but also on the degree of the graph. Moreover, considering the mutation-selection equilibrium shows that the symmetry of the stationary distribution of states under weak selection is skewed in favor of defectors for larger selection strengths. In particular, degree heterogeneity—a prominent feature of scale-free networks—generally results in a more pronounced increase in the critical benefit-to-cost ratio required for evolution to favor cooperation as compared to regular graphs. This conclusion is corroborated by an analysis of the effects of population structures on the fixation probabilities of strategies in general 2×2 games for different types of graphs. Computer simulations confirm the predictive power of our method and illustrate the improved accuracy as compared to previous studies.

  11. Non-intrusive uncertainty quantification of computational fluid dynamics simulations: notes on the accuracy and efficiency

    Science.gov (United States)

    Zimoń, Małgorzata; Sawko, Robert; Emerson, David; Thompson, Christopher

    2017-11-01

    Uncertainty quantification (UQ) is increasingly becoming an indispensable tool for assessing the reliability of computational modelling. Efficient handling of stochastic inputs, such as boundary conditions, physical properties or geometry, increases the utility of model results significantly. We discuss the application of non-intrusive generalised polynomial chaos techniques in the context of fluid engineering simulations. Deterministic and Monte Carlo integration rules are applied to a set of problems, including ordinary differential equations and the computation of aerodynamic parameters subject to random perturbations. In particular, we analyse acoustic wave propagation in a heterogeneous medium to study the effects of mesh resolution, transients, number and variability of stochastic inputs. We consider variants of multi-level Monte Carlo and perform a novel comparison of the methods with respect to numerical and parametric errors, as well as computational cost. The results provide a comprehensive view of the necessary steps in UQ analysis and demonstrate some key features of stochastic fluid flow systems.

  12. The computational optimization of heat exchange efficiency in stack chimneys

    Energy Technology Data Exchange (ETDEWEB)

    Van Goch, T.A.J.

    2012-02-15

    For many industrial processes, the chimney is the final step before hot fumes, with high thermal energy content, are discharged into the atmosphere. Tapping into this energy and utilizing it for heating or cooling applications, could improve sustainability, efficiency and/or reduce operational costs. Alternatively, an unused chimney, like the monumental chimney at the Eindhoven University of Technology, could serve as an 'energy channeler' once more; it can enhance free cooling by exploiting the stack effect. This study aims to identify design parameters that influence annual heat exchange in such stack chimney applications and optimize these parameters for specific scenarios to maximize the performance. Performance is defined by annual heat exchange, system efficiency and costs. The energy required for the water pump as compared to the energy exchanged, defines the system efficiency, which is expressed in an efficiency coefficient (EC). This study is an example of applying building performance simulation (BPS) tools for decision support in the early phase of the design process. In this study, BPS tools are used to provide design guidance, performance evaluation and optimization. A general method for optimization of simulation models will be studied, and applied in two case studies with different applications (heating/cooling), namely; (1) CERES case: 'Eindhoven University of Technology monumental stack chimney equipped with a heat exchanger, rejects heat to load the cold source of the aquifer system on the campus of the university and/or provides free cooling to the CERES building'; and (2) Industrial case: 'Heat exchanger in an industrial stack chimney, which recoups heat for use in e.g. absorption cooling'. The main research question, addressing the concerns of both cases, is expressed as follows: 'what is the optimal set of design parameters so heat exchange in stack chimneys is optimized annually for the cases in which a

  13. The green computing book tackling energy efficiency at large scale

    CERN Document Server

    Feng, Wu-chun

    2014-01-01

    Low-Power, Massively Parallel, Energy-Efficient Supercomputers The Blue Gene TeamCompiler-Driven Energy Efficiency Mahmut Kandemir and Shekhar Srikantaiah An Adaptive Run-Time System for Improving Energy Efficiency Chung-Hsing Hsu, Wu-chun Feng, and Stephen W. PooleEnergy-Efficient Multithreading through Run-Time Adaptation Exploring Trade-Offs between Energy Savings and Reliability in Storage Systems Ali R. Butt, Puranjoy Bhattacharjee, Guanying Wang, and Chris GniadyCross-Layer Power Management Zhikui Wang and Parthasarathy Ranganathan Energy-Efficient Virtualized Systems Ripal Nathuji and K

  14. On efficiency of fire simulation realization: parallelization with greater number of computational meshes

    Science.gov (United States)

    Valasek, Lukas; Glasa, Jan

    2017-12-01

    Current fire simulation systems are capable to utilize advantages of high-performance computer (HPC) platforms available and to model fires efficiently in parallel. In this paper, efficiency of a corridor fire simulation on a HPC computer cluster is discussed. The parallel MPI version of Fire Dynamics Simulator is used for testing efficiency of selected strategies of allocation of computational resources of the cluster using a greater number of computational cores. Simulation results indicate that if the number of cores used is not equal to a multiple of the total number of cluster node cores there are allocation strategies which provide more efficient calculations.

  15. Efficient CUDA Polynomial Preconditioned Conjugate Gradient Solver for Finite Element Computation of Elasticity Problems

    Directory of Open Access Journals (Sweden)

    Jianfei Zhang

    2013-01-01

    Full Text Available Graphics processing unit (GPU has obtained great success in scientific computations for its tremendous computational horsepower and very high memory bandwidth. This paper discusses the efficient way to implement polynomial preconditioned conjugate gradient solver for the finite element computation of elasticity on NVIDIA GPUs using compute unified device architecture (CUDA. Sliced block ELLPACK (SBELL format is introduced to store sparse matrix arising from finite element discretization of elasticity with fewer padding zeros than traditional ELLPACK-based formats. Polynomial preconditioning methods have been investigated both in convergence and running time. From the overall performance, the least-squares (L-S polynomial method is chosen as a preconditioner in PCG solver to finite element equations derived from elasticity for its best results on different example meshes. In the PCG solver, mixed precision algorithm is used not only to reduce the overall computational, storage requirements and bandwidth but to make full use of the capacity of the GPU devices. With SBELL format and mixed precision algorithm, the GPU-based L-S preconditioned CG can get a speedup of about 7–9 to CPU-implementation.

  16. Computationally efficient design of optimal output feedback strategies for controllable passive damping devices

    International Nuclear Information System (INIS)

    Kamalzare, Mahmoud; Johnson, Erik A; Wojtkiewicz, Steven F

    2014-01-01

    Designing control strategies for smart structures, such as those with semiactive devices, is complicated by the nonlinear nature of the feedback control, secondary clipping control and other additional requirements such as device saturation. The usual design approach resorts to large-scale simulation parameter studies that are computationally expensive. The authors have previously developed an approach for state-feedback semiactive clipped-optimal control design, based on a nonlinear Volterra integral equation that provides for the computationally efficient simulation of such systems. This paper expands the applicability of the approach by demonstrating that it can also be adapted to accommodate more realistic cases when, instead of full state feedback, only a limited set of noisy response measurements is available to the controller. This extension requires incorporating a Kalman filter (KF) estimator, which is linear, into the nominal model of the uncontrolled system. The efficacy of the approach is demonstrated by a numerical study of a 100-degree-of-freedom frame model, excited by a filtered Gaussian random excitation, with noisy acceleration sensor measurements to determine the semiactive control commands. The results show that the proposed method can improve computational efficiency by more than two orders of magnitude relative to a conventional solver, while retaining a comparable level of accuracy. Further, the proposed approach is shown to be similarly efficient for an extensive Monte Carlo simulation to evaluate the effects of sensor noise levels and KF tuning on the accuracy of the response. (paper)

  17. Computed tomography shielding methods: a literature review.

    Science.gov (United States)

    Curtis, Jessica Ryann

    2010-01-01

    To investigate available shielding methods in an effort to further awareness and understanding of existing preventive measures related to patient exposure in computed tomography (CT) scanning. Searches were conducted to locate literature discussing the effectiveness of commercially available shields. Literature containing information regarding breast, gonad, eye and thyroid shielding was identified. Because of rapidly advancing technology, the selection of articles was limited to those published within the past 5 years. The selected studies were examined using the following topics as guidelines: the effectiveness of the shield (percentage of dose reduction), the shield's effect on image quality, arguments for or against its use (including practicality) and overall recommendation for its use in clinical practice. Only a limited number of studies have been performed on the use of shields for the eyes, thyroid and gonads, but the evidence shows an overall benefit to their use. Breast shielding has been the most studied shielding method, with consistent agreement throughout the literature on its effectiveness at reducing radiation dose. The effect of shielding on image quality was not remarkable in a majority of studies. Although it is noted that more studies need to be conducted regarding the impact on image quality, the currently published literature stresses the importance of shielding in reducing dose. Commercially available shields for the breast, thyroid, eyes and gonads should be implemented in clinical practice. Further research is needed to ascertain the prevalence of shielding in the clinical setting.

  18. Efficient Backprojection-Based Synthetic Aperture Radar Computation with Many-Core Processors

    Directory of Open Access Journals (Sweden)

    Jongsoo Park

    2013-01-01

    Full Text Available Tackling computationally challenging problems with high efficiency often requires the combination of algorithmic innovation, advanced architecture, and thorough exploitation of parallelism. We demonstrate this synergy through synthetic aperture radar (SAR via backprojection, an image reconstruction method that can require hundreds of TFLOPS. Computation cost is significantly reduced by our new algorithm of approximate strength reduction; data movement cost is economized by software locality optimizations facilitated by advanced architecture support; parallelism is fully harnessed in various patterns and granularities. We deliver over 35 billion backprojections per second throughput per compute node on an Intel® Xeon® processor E5-2670-based cluster, equipped with Intel® Xeon Phi™ coprocessors. This corresponds to processing a 3K×3K image within a second using a single node. Our study can be extended to other settings: backprojection is applicable elsewhere including medical imaging, approximate strength reduction is a general code transformation technique, and many-core processors are emerging as a solution to energy-efficient computing.

  19. Computational methods in calculating superconducting current problems

    Science.gov (United States)

    Brown, David John, II

    Various computational problems in treating superconducting currents are examined. First, field inversion in spatial Fourier transform space is reviewed to obtain both one-dimensional transport currents flowing down a long thin tape, and a localized two-dimensional current. The problems associated with spatial high-frequency noise, created by finite resolution and experimental equipment, are presented, and resolved with a smooth Gaussian cutoff in spatial frequency space. Convergence of the Green's functions for the one-dimensional transport current densities is discussed, and particular attention is devoted to the negative effects of performing discrete Fourier transforms alone on fields asymptotically dropping like 1/r. Results of imaging simulated current densities are favorably compared to the original distributions after the resulting magnetic fields undergo the imaging procedure. The behavior of high-frequency spatial noise, and the behavior of the fields with a 1/r asymptote in the imaging procedure in our simulations is analyzed, and compared to the treatment of these phenomena in the published literature. Next, we examine calculation of Mathieu and spheroidal wave functions, solutions to the wave equation in elliptical cylindrical and oblate and prolate spheroidal coordinates, respectively. These functions are also solutions to Schrodinger's equations with certain potential wells, and are useful in solving time-varying superconducting problems. The Mathieu functions are Fourier expanded, and the spheroidal functions expanded in associated Legendre polynomials to convert the defining differential equations to recursion relations. The infinite number of linear recursion equations is converted to an infinite matrix, multiplied by a vector of expansion coefficients, thus becoming an eigenvalue problem. The eigenvalue problem is solved with root solvers, and the eigenvector problem is solved using a Jacobi-type iteration method, after preconditioning the

  20. Improving the computation efficiency of COBRA-TF for LWR safety analysis of large problems

    International Nuclear Information System (INIS)

    Cuervo, D.; Avramova, M. N.; Ivanov, K. N.

    2004-01-01

    A matrix solver is implemented in COBRA-TF in order to improve the computation efficiency of both numerical solution methods existing in the code, the Gauss elimination and the Gauss-Seidel iterative technique. Both methods are used to solve the system of pressure linear equations and relay on the solution of large sparse matrices. The introduced solver accelerates the solution of these matrices in cases of large number of cells. The execution time is reduced in half as compared to the execution time without using matrix solver for the cases with large matrices. The achieved improvement and the planned future work in this direction are important for performing efficient LWR safety analyses of large problems. (authors)

  1. Depth-Averaged Non-Hydrostatic Hydrodynamic Model Using a New Multithreading Parallel Computing Method

    Directory of Open Access Journals (Sweden)

    Ling Kang

    2017-03-01

    Full Text Available Compared to the hydrostatic hydrodynamic model, the non-hydrostatic hydrodynamic model can accurately simulate flows that feature vertical accelerations. The model’s low computational efficiency severely restricts its wider application. This paper proposes a non-hydrostatic hydrodynamic model based on a multithreading parallel computing method. The horizontal momentum equation is obtained by integrating the Navier–Stokes equations from the bottom to the free surface. The vertical momentum equation is approximated by the Keller-box scheme. A two-step method is used to solve the model equations. A parallel strategy based on block decomposition computation is utilized. The original computational domain is subdivided into two subdomains that are physically connected via a virtual boundary technique. Two sub-threads are created and tasked with the computation of the two subdomains. The producer–consumer model and the thread lock technique are used to achieve synchronous communication between sub-threads. The validity of the model was verified by solitary wave propagation experiments over a flat bottom and slope, followed by two sinusoidal wave propagation experiments over submerged breakwater. The parallel computing method proposed here was found to effectively enhance computational efficiency and save 20%–40% computation time compared to serial computing. The parallel acceleration rate and acceleration efficiency are approximately 1.45% and 72%, respectively. The parallel computing method makes a contribution to the popularization of non-hydrostatic models.

  2. Efficient computation in adaptive artificial spiking neural networks

    NARCIS (Netherlands)

    D. Zambrano (Davide); R.B.P. Nusselder (Roeland); H.S. Scholte; S.M. Bohte (Sander)

    2017-01-01

    textabstractArtificial Neural Networks (ANNs) are bio-inspired models of neural computation that have proven highly effective. Still, ANNs lack a natural notion of time, and neural units in ANNs exchange analog values in a frame-based manner, a computationally and energetically inefficient form of

  3. Efficient parsimony-based methods for phylogenetic network reconstruction.

    Science.gov (United States)

    Jin, Guohua; Nakhleh, Luay; Snir, Sagi; Tuller, Tamir

    2007-01-15

    Phylogenies--the evolutionary histories of groups of organisms-play a major role in representing relationships among biological entities. Although many biological processes can be effectively modeled as tree-like relationships, others, such as hybrid speciation and horizontal gene transfer (HGT), result in networks, rather than trees, of relationships. Hybrid speciation is a significant evolutionary mechanism in plants, fish and other groups of species. HGT plays a major role in bacterial genome diversification and is a significant mechanism by which bacteria develop resistance to antibiotics. Maximum parsimony is one of the most commonly used criteria for phylogenetic tree inference. Roughly speaking, inference based on this criterion seeks the tree that minimizes the amount of evolution. In 1990, Jotun Hein proposed using this criterion for inferring the evolution of sequences subject to recombination. Preliminary results on small synthetic datasets. Nakhleh et al. (2005) demonstrated the criterion's application to phylogenetic network reconstruction in general and HGT detection in particular. However, the naive algorithms used by the authors are inapplicable to large datasets due to their demanding computational requirements. Further, no rigorous theoretical analysis of computing the criterion was given, nor was it tested on biological data. In the present work we prove that the problem of scoring the parsimony of a phylogenetic network is NP-hard and provide an improved fixed parameter tractable algorithm for it. Further, we devise efficient heuristics for parsimony-based reconstruction of phylogenetic networks. We test our methods on both synthetic and biological data (rbcL gene in bacteria) and obtain very promising results.

  4. An accurate and efficient reliability-based design optimization using the second order reliability method and improved stability transformation method

    Science.gov (United States)

    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.

  5. Automatic domain updating technique for improving computational efficiency of 2-D flood-inundation simulation

    Science.gov (United States)

    Tanaka, T.; Tachikawa, Y.; Ichikawa, Y.; Yorozu, K.

    2017-12-01

    Flood is one of the most hazardous disasters and causes serious damage to people and property around the world. To prevent/mitigate flood damage through early warning system and/or river management planning, numerical modelling of flood-inundation processes is essential. In a literature, flood-inundation models have been extensively developed and improved to achieve flood flow simulation with complex topography at high resolution. With increasing demands on flood-inundation modelling, its computational burden is now one of the key issues. Improvements of computational efficiency of full shallow water equations are made from various perspectives such as approximations of the momentum equations, parallelization technique, and coarsening approaches. To support these techniques and more improve the computational efficiency of flood-inundation simulations, this study proposes an Automatic Domain Updating (ADU) method of 2-D flood-inundation simulation. The ADU method traces the wet and dry interface and automatically updates the simulation domain in response to the progress and recession of flood propagation. The updating algorithm is as follow: first, to register the simulation cells potentially flooded at initial stage (such as floodplains nearby river channels), and then if a registered cell is flooded, to register its surrounding cells. The time for this additional process is saved by checking only cells at wet and dry interface. The computation time is reduced by skipping the processing time of non-flooded area. This algorithm is easily applied to any types of 2-D flood inundation models. The proposed ADU method is implemented to 2-D local inertial equations for the Yodo River basin, Japan. Case studies for two flood events show that the simulation is finished within two to 10 times smaller time showing the same result as that without the ADU method.

  6. Computational Studies of Protein Hydration Methods

    Science.gov (United States)

    Morozenko, Aleksandr

    It is widely appreciated that water plays a vital role in proteins' functions. The long-range proton transfer inside proteins is usually carried out by the Grotthuss mechanism and requires a chain of hydrogen bonds that is composed of internal water molecules and amino acid residues of the protein. In other cases, water molecules can facilitate the enzymes catalytic reactions by becoming a temporary proton donor/acceptor. Yet a reliable way of predicting water protein interior is still not available to the biophysics community. This thesis presents computational studies that have been performed to gain insights into the problems of fast and accurate prediction of potential water sites inside internal cavities of protein. Specifically, we focus on the task of attainment of correspondence between results obtained from computational experiments and experimental data available from X-ray structures. An overview of existing methods of predicting water molecules in the interior of a protein along with a discussion of the trustworthiness of these predictions is a second major subject of this thesis. A description of differences of water molecules in various media, particularly, gas, liquid and protein interior, and theoretical aspects of designing an adequate model of water for the protein environment are widely discussed in chapters 3 and 4. In chapter 5, we discuss recently developed methods of placement of water molecules into internal cavities of a protein. We propose a new methodology based on the principle of docking water molecules to a protein body which allows to achieve a higher degree of matching experimental data reported in protein crystal structures than other techniques available in the world of biophysical software. The new methodology is tested on a set of high-resolution crystal structures of oligopeptide-binding protein (OppA) containing a large number of resolved internal water molecules and applied to bovine heart cytochrome c oxidase in the fully

  7. An Evaluation of the Efficiency of Different Hygienisation Methods

    Science.gov (United States)

    Zrubková, M.

    2017-10-01

    The aim of this study is to evaluate the efficiency of hygienisation by pasteurisation, temperature-phased anaerobic digestion and sludge liming. A summary of the legislation concerning sludge treatment, disposal and recycling is included. The hygienisation methods are compared not only in terms of hygienisation efficiency but a comparison of other criteria is also included.

  8. An efficient method of reducing glass dispersion tolerance sensitivity

    Science.gov (United States)

    Sparrold, Scott W.; Shepard, R. Hamilton

    2014-12-01

    Constraining the Seidel aberrations of optical surfaces is a common technique for relaxing tolerance sensitivities in the optimization process. We offer an observation that a lens's Abbe number tolerance is directly related to the magnitude by which its longitudinal and transverse color are permitted to vary in production. Based on this observation, we propose a computationally efficient and easy-to-use merit function constraint for relaxing dispersion tolerance sensitivity. Using the relationship between an element's chromatic aberration and dispersion sensitivity, we derive a fundamental limit for lens scale and power that is capable of achieving high production yield for a given performance specification, which provides insight on the point at which lens splitting or melt fitting becomes necessary. The theory is validated by comparing its predictions to a formal tolerance analysis of a Cooke Triplet, and then applied to the design of a 1.5x visible linescan lens to illustrate optimization for reduced dispersion sensitivity. A selection of lenses in high volume production is then used to corroborate the proposed method of dispersion tolerance allocation.

  9. Multiscale Methods, Parallel Computation, and Neural Networks for Real-Time Computer Vision.

    Science.gov (United States)

    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

  10. Computationally efficient thermal-mechanical modelling of selective laser melting

    Science.gov (United States)

    Yang, Yabin; Ayas, Can

    2017-10-01

    The Selective laser melting (SLM) is a powder based additive manufacturing (AM) method to produce high density metal parts with complex topology. However, part distortions and accompanying residual stresses deteriorates the mechanical reliability of SLM products. Modelling of the SLM process is anticipated to be instrumental for understanding and predicting the development of residual stress field during the build process. However, SLM process modelling requires determination of the heat transients within the part being built which is coupled to a mechanical boundary value problem to calculate displacement and residual stress fields. Thermal models associated with SLM are typically complex and computationally demanding. In this paper, we present a simple semi-analytical thermal-mechanical model, developed for SLM that represents the effect of laser scanning vectors with line heat sources. The temperature field within the part being build is attained by superposition of temperature field associated with line heat sources in a semi-infinite medium and a complimentary temperature field which accounts for the actual boundary conditions. An analytical solution of a line heat source in a semi-infinite medium is first described followed by the numerical procedure used for finding the complimentary temperature field. This analytical description of the line heat sources is able to capture the steep temperature gradients in the vicinity of the laser spot which is typically tens of micrometers. In turn, semi-analytical thermal model allows for having a relatively coarse discretisation of the complimentary temperature field. The temperature history determined is used to calculate the thermal strain induced on the SLM part. Finally, a mechanical model governed by elastic-plastic constitutive rule having isotropic hardening is used to predict the residual stresses.

  11. Permeability computation on a REV with an immersed finite element method

    International Nuclear Information System (INIS)

    Laure, P.; Puaux, G.; Silva, L.; Vincent, M.

    2011-01-01

    An efficient method to compute permeability of fibrous media is presented. An immersed domain approach is used to represent the porous material at its microscopic scale and the flow motion is computed with a stabilized mixed finite element method. Therefore the Stokes equation is solved on the whole domain (including solid part) using a penalty method. The accuracy is controlled by refining the mesh around the solid-fluid interface defined by a level set function. Using homogenisation techniques, the permeability of a representative elementary volume (REV) is computed. The computed permeabilities of regular fibre packings are compared to classical analytical relations found in the bibliography.

  12. An ME-PC Enhanced HDMR Method for Efficient Statistical Analysis of Multiconductor Transmission Line Networks

    KAUST Repository

    Yucel, Abdulkadir C.

    2015-05-05

    An efficient method for statistically characterizing multiconductor transmission line (MTL) networks subject to a large number of manufacturing uncertainties is presented. The proposed method achieves its efficiency by leveraging a high-dimensional model representation (HDMR) technique that approximates observables (quantities of interest in MTL networks, such as voltages/currents on mission-critical circuits) in terms of iteratively constructed component functions of only the most significant random variables (parameters that characterize the uncertainties in MTL networks, such as conductor locations and widths, and lumped element values). The efficiency of the proposed scheme is further increased using a multielement probabilistic collocation (ME-PC) method to compute the component functions of the HDMR. The ME-PC method makes use of generalized polynomial chaos (gPC) expansions to approximate the component functions, where the expansion coefficients are expressed in terms of integrals of the observable over the random domain. These integrals are numerically evaluated and the observable values at the quadrature/collocation points are computed using a fast deterministic simulator. The proposed method is capable of producing accurate statistical information pertinent to an observable that is rapidly varying across a high-dimensional random domain at a computational cost that is significantly lower than that of gPC or Monte Carlo methods. The applicability, efficiency, and accuracy of the method are demonstrated via statistical characterization of frequency-domain voltages in parallel wire, interconnect, and antenna corporate feed networks.

  13. Efficient one-way quantum computations for quantum error correction

    International Nuclear Information System (INIS)

    Huang Wei; Wei Zhaohui

    2009-01-01

    We show how to explicitly construct an O(nd) size and constant quantum depth circuit which encodes any given n-qubit stabilizer code with d generators. Our construction is derived using the graphic description for stabilizer codes and the one-way quantum computation model. Our result demonstrates how to use cluster states as scalable resources for many multi-qubit entangled states and how to use the one-way quantum computation model to improve the design of quantum algorithms.

  14. 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

  15. An efficient algorithm for nucleolus and prekernel computation in some classes of TU-games

    NARCIS (Netherlands)

    Faigle, U.; Kern, Walter; Kuipers, J.

    1998-01-01

    We consider classes of TU-games. We show that we can efficiently compute an allocation in the intersection of the prekernel and the least core of the game if we can efficiently compute the minimum excess for any given allocation. In the case where the prekernel of the game contains exactly one core

  16. Method for calculating annual energy efficiency improvement of TV sets

    International Nuclear Information System (INIS)

    Varman, M.; Mahlia, T.M.I.; Masjuki, H.H.

    2006-01-01

    The popularization of 24 h pay-TV, interactive video games, web-TV, VCD and DVD are poised to have a large impact on overall TV electricity consumption in the Malaysia. Following this increased consumption, energy efficiency standard present a highly effective measure for decreasing electricity consumption in the residential sector. The main problem in setting energy efficiency standard is identifying annual efficiency improvement, due to the lack of time series statistical data available in developing countries. This study attempts to present a method of calculating annual energy efficiency improvement for TV set, which can be used for implementing energy efficiency standard for TV sets in Malaysia and other developing countries. Although the presented result is only an approximation, definitely it is one of the ways of accomplishing energy standard. Furthermore, the method can be used for other appliances without any major modification

  17. Method for calculating annual energy efficiency improvement of TV sets

    Energy Technology Data Exchange (ETDEWEB)

    Varman, M. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia); Mahlia, T.M.I. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia)]. E-mail: indra@um.edu.my; Masjuki, H.H. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia)

    2006-10-15

    The popularization of 24 h pay-TV, interactive video games, web-TV, VCD and DVD are poised to have a large impact on overall TV electricity consumption in the Malaysia. Following this increased consumption, energy efficiency standard present a highly effective measure for decreasing electricity consumption in the residential sector. The main problem in setting energy efficiency standard is identifying annual efficiency improvement, due to the lack of time series statistical data available in developing countries. This study attempts to present a method of calculating annual energy efficiency improvement for TV set, which can be used for implementing energy efficiency standard for TV sets in Malaysia and other developing countries. Although the presented result is only an approximation, definitely it is one of the ways of accomplishing energy standard. Furthermore, the method can be used for other appliances without any major modification.

  18. Limits on efficient computation in the physical world

    Science.gov (United States)

    Aaronson, Scott Joel

    More than a speculative technology, quantum computing seems to challenge our most basic intuitions about how the physical world should behave. In this thesis I show that, while some intuitions from classical computer science must be jettisoned in the light of modern physics, many others emerge nearly unscathed; and I use powerful tools from computational complexity theory to help determine which are which. In the first part of the thesis, I attack the common belief that quantum computing resembles classical exponential parallelism, by showing that quantum computers would face serious limitations on a wider range of problems than was previously known. In particular, any quantum algorithm that solves the collision problem---that of deciding whether a sequence of n integers is one-to-one or two-to-one---must query the sequence O (n1/5) times. This resolves a question that was open for years; previously no lower bound better than constant was known. A corollary is that there is no "black-box" quantum algorithm to break cryptographic hash functions or solve the Graph Isomorphism problem in polynomial time. I also show that relative to an oracle, quantum computers could not solve NP-complete problems in polynomial time, even with the help of nonuniform "quantum advice states"; and that any quantum algorithm needs O (2n/4/n) queries to find a local minimum of a black-box function on the n-dimensional hypercube. Surprisingly, the latter result also leads to new classical lower bounds for the local search problem. Finally, I give new lower bounds on quantum one-way communication complexity, and on the quantum query complexity of total Boolean functions and recursive Fourier sampling. The second part of the thesis studies the relationship of the quantum computing model to physical reality. I first examine the arguments of Leonid Levin, Stephen Wolfram, and others who believe quantum computing to be fundamentally impossible. I find their arguments unconvincing without a "Sure

  19. Advanced scoring method of eco-efficiency in European cities.

    Science.gov (United States)

    Moutinho, Victor; Madaleno, Mara; Robaina, Margarita; Villar, José

    2018-01-01

    This paper analyzes a set of selected German and French cities' performance in terms of the relative behavior of their eco-efficiencies, computed as the ratio of their gross domestic product (GDP) over their CO 2 emissions. For this analysis, eco-efficiency scores of the selected cities are computed using the data envelopment analysis (DEA) technique, taking the eco-efficiencies as outputs, and the inputs being the energy consumption, the population density, the labor productivity, the resource productivity, and the patents per inhabitant. Once DEA results are analyzed, the Malmquist productivity indexes (MPI) are used to assess the time evolution of the technical efficiency, technological efficiency, and productivity of the cities over the window periods 2000 to 2005 and 2005 to 2008. Some of the main conclusions are that (1) most of the analyzed cities seem to have suboptimal scales, being one of the causes of their inefficiency; (2) there is evidence that high GDP over CO 2 emissions does not imply high eco-efficiency scores, meaning that DEA like approaches are useful to complement more simplistic ranking procedures, pointing out potential inefficiencies at the input levels; (3) efficiencies performed worse during the period 2000-2005 than during the period 2005-2008, suggesting the possibility of corrective actions taken during or at the end of the first period but impacting only on the second period, probably due to an increasing environmental awareness of policymakers and governors; and (4) MPI analysis shows a positive technological evolution of all cities, according to the general technological evolution of the reference cities, reflecting a generalized convergence of most cities to their technological frontier and therefore an evolution in the right direction.

  20. Computational methods in sequence and structure prediction

    Science.gov (United States)

    Lang, Caiyi

    This dissertation is organized into two parts. In the first part, we will discuss three computational methods for cis-regulatory element recognition in three different gene regulatory networks as the following: (a) Using a comprehensive "Phylogenetic Footprinting Comparison" method, we will investigate the promoter sequence structures of three enzymes (PAL, CHS and DFR) that catalyze sequential steps in the pathway from phenylalanine to anthocyanins in plants. Our result shows there exists a putative cis-regulatory element "AC(C/G)TAC(C)" in the upstream of these enzyme genes. We propose this cis-regulatory element to be responsible for the genetic regulation of these three enzymes and this element, might also be the binding site for MYB class transcription factor PAP1. (b) We will investigate the role of the Arabidopsis gene glutamate receptor 1.1 (AtGLR1.1) in C and N metabolism by utilizing the microarray data we obtained from AtGLR1.1 deficient lines (antiAtGLR1.1). We focus our investigation on the putatively co-regulated transcript profile of 876 genes we have collected in antiAtGLR1.1 lines. By (a) scanning the occurrence of several groups of known abscisic acid (ABA) related cisregulatory elements in the upstream regions of 876 Arabidopsis genes; and (b) exhaustive scanning of all possible 6-10 bps motif occurrence in the upstream regions of the same set of genes, we are able to make a quantative estimation on the enrichment level of each of the cis-regulatory element candidates. We finally conclude that one specific cis-regulatory element group, called "ABRE" elements, are statistically highly enriched within the 876-gene group as compared to their occurrence within the genome. (c) We will introduce a new general purpose algorithm, called "fuzzy REDUCE1", which we have developed recently for automated cis-regulatory element identification. In the second part, we will discuss our newly devised protein design framework. With this framework we have developed

  1. Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

    Science.gov (United States)

    Duan, Lili; Liu, Xiao; Zhang, John Z H

    2016-05-04

    Efficient and reliable calculation of protein-ligand binding free energy is a grand challenge in computational biology and is of critical importance in drug design and many other molecular recognition problems. The main challenge lies in the calculation of entropic contribution to protein-ligand binding or interaction systems. In this report, we present a new interaction entropy method which is theoretically rigorous, computationally efficient, and numerically reliable for calculating entropic contribution to free energy in protein-ligand binding and other interaction processes. Drastically different from the widely employed but extremely expensive normal mode method for calculating entropy change in protein-ligand binding, the new method calculates the entropic component (interaction entropy or -TΔS) of the binding free energy directly from molecular dynamics simulation without any extra computational cost. Extensive study of over a dozen randomly selected protein-ligand binding systems demonstrated that this interaction entropy method is both computationally efficient and numerically reliable and is vastly superior to the standard normal mode approach. This interaction entropy paradigm introduces a novel and intuitive conceptual understanding of the entropic effect in protein-ligand binding and other general interaction systems as well as a practical method for highly efficient calculation of this effect.

  2. Efficient computation of the inverse of gametic relationship matrix for a marked QTL

    Directory of Open Access Journals (Sweden)

    Iwaisaki Hiroaki

    2006-04-01

    Full Text Available Abstract Best linear unbiased prediction of genetic merits for a marked quantitative trait locus (QTL using mixed model methodology includes the inverse of conditional gametic relationship matrix (G-1 for a marked QTL. When accounting for inbreeding, the conditional gametic relationships between two parents of individuals for a marked QTL are necessary to build G-1 directly. Up to now, the tabular method and its adaptations have been used to compute these relationships. In the present paper, an indirect method was implemented at the gametic level to compute these few relationships. Simulation results showed that the indirect method can perform faster with significantly less storage requirements than adaptation of the tabular method. The efficiency of the indirect method was mainly due to the use of the sparseness of G-1. The indirect method can also be applied to construct an approximate G-1 for populations with incomplete marker data, providing approximate probabilities of descent for QTL alleles for individuals with incomplete marker data.

  3. Asymptotic optimality and efficient computation of the leave-subject-out cross-validation

    KAUST Repository

    Xu, Ganggang

    2012-12-01

    Although the leave-subject-out cross-validation (CV) has been widely used in practice for tuning parameter selection for various nonparametric and semiparametric models of longitudinal data, its theoretical property is unknown and solving the associated optimization problem is computationally expensive, especially when there are multiple tuning parameters. In this paper, by focusing on the penalized spline method, we show that the leave-subject-out CV is optimal in the sense that it is asymptotically equivalent to the empirical squared error loss function minimization. An efficient Newton-type algorithm is developed to compute the penalty parameters that optimize the CV criterion. Simulated and real data are used to demonstrate the effectiveness of the leave-subject-out CV in selecting both the penalty parameters and the working correlation matrix. © 2012 Institute of Mathematical Statistics.

  4. Asymptotic optimality and efficient computation of the leave-subject-out cross-validation

    KAUST Repository

    Xu, Ganggang; Huang, Jianhua Z.

    2012-01-01

    Although the leave-subject-out cross-validation (CV) has been widely used in practice for tuning parameter selection for various nonparametric and semiparametric models of longitudinal data, its theoretical property is unknown and solving the associated optimization problem is computationally expensive, especially when there are multiple tuning parameters. In this paper, by focusing on the penalized spline method, we show that the leave-subject-out CV is optimal in the sense that it is asymptotically equivalent to the empirical squared error loss function minimization. An efficient Newton-type algorithm is developed to compute the penalty parameters that optimize the CV criterion. Simulated and real data are used to demonstrate the effectiveness of the leave-subject-out CV in selecting both the penalty parameters and the working correlation matrix. © 2012 Institute of Mathematical Statistics.

  5. An Efficient Approach for Fast and Accurate Voltage Stability Margin Computation in Large Power Grids

    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.

  6. Moment-based method for computing the two-dimensional discrete Hartley transform

    Science.gov (United States)

    Dong, Zhifang; Wu, Jiasong; Shu, Huazhong

    2009-10-01

    In this paper, we present a fast algorithm for computing the two-dimensional (2-D) discrete Hartley transform (DHT). By using kernel transform and Taylor expansion, the 2-D DHT is approximated by a linear sum of 2-D geometric moments. This enables us to use the fast algorithms developed for computing the 2-D moments to efficiently calculate the 2-D DHT. The proposed method achieves a simple computational structure and is suitable to deal with any sequence lengths.

  7. Computational methods for corpus annotation and analysis

    CERN Document Server

    Lu, Xiaofei

    2014-01-01

    This book reviews computational tools for lexical, syntactic, semantic, pragmatic and discourse analysis, with instructions on how to obtain, install and use each tool. Covers studies using Natural Language Processing, and offers ideas for better integration.

  8. 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

  9. Efficient Calculation of Near Fields in the FDTD Method

    DEFF Research Database (Denmark)

    Franek, Ondrej

    2011-01-01

    When calculating frequency-domain near fields by the FDTD method, almost 50 % reduction in memory and CPU operations can be achieved if only E-fields are stored during the main time-stepping loop and H-fields computed later. An improved method of obtaining the H-fields from Faraday's Law is prese...

  10. Cloud computing methods and practical approaches

    CERN Document Server

    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

  11. A hybrid method for the parallel computation of Green's functions

    International Nuclear Information System (INIS)

    Petersen, Dan Erik; Li Song; Stokbro, Kurt; Sorensen, Hans Henrik B.; Hansen, Per Christian; Skelboe, Stig; Darve, Eric

    2009-01-01

    Quantum transport models for nanodevices using the non-equilibrium Green's function method require the repeated calculation of the block tridiagonal part of the Green's and lesser Green's function matrices. This problem is related to the calculation of the inverse of a sparse matrix. Because of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green's and lesser Green's function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only require computing a small number of entries of the inverse matrix. Then, we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size.

  12. Efficient computation in networks of spiking neurons: simulations and theory

    International Nuclear Information System (INIS)

    Natschlaeger, T.

    1999-01-01

    One of the most prominent features of biological neural systems is that individual neurons communicate via short electrical pulses, the so called action potentials or spikes. In this thesis we investigate possible mechanisms which can in principle explain how complex computations in spiking neural networks (SNN) can be performed very fast, i.e. within a few 10 milliseconds. Some of these models are based on the assumption that relevant information is encoded by the timing of individual spikes (temporal coding). We will also discuss a model which is based on a population code and still is able to perform fast complex computations. In their natural environment biological neural systems have to process signals with a rich temporal structure. Hence it is an interesting question how neural systems process time series. In this context we explore possible links between biophysical characteristics of single neurons (refractory behavior, connectivity, time course of postsynaptic potentials) and synapses (unreliability, dynamics) on the one hand and possible computations on times series on the other hand. Furthermore we describe a general model of computation that exploits dynamic synapses. This model provides a general framework for understanding how neural systems process time-varying signals. (author)

  13. An Efficient Virtual Machine Consolidation Scheme for Multimedia Cloud Computing.

    Science.gov (United States)

    Han, Guangjie; Que, Wenhui; Jia, Gangyong; Shu, Lei

    2016-02-18

    Cloud computing has innovated the IT industry in recent years, as it can delivery subscription-based services to users in the pay-as-you-go model. Meanwhile, multimedia cloud computing is emerging based on cloud computing to provide a variety of media services on the Internet. However, with the growing popularity of multimedia cloud computing, its large energy consumption cannot only contribute to greenhouse gas emissions, but also result in the rising of cloud users' costs. Therefore, the multimedia cloud providers should try to minimize its energy consumption as much as possible while satisfying the consumers' resource requirements and guaranteeing quality of service (QoS). In this paper, we have proposed a remaining utilization-aware (RUA) algorithm for virtual machine (VM) placement, and a power-aware algorithm (PA) is proposed to find proper hosts to shut down for energy saving. These two algorithms have been combined and applied to cloud data centers for completing the process of VM consolidation. Simulation results have shown that there exists a trade-off between the cloud data center's energy consumption and service-level agreement (SLA) violations. Besides, the RUA algorithm is able to deal with variable workload to prevent hosts from overloading after VM placement and to reduce the SLA violations dramatically.

  14. Efficient Computation of Exposure Profiles for Counterparty Credit Risk

    NARCIS (Netherlands)

    de Graaf, C.S.L.; Feng, Q.; Kandhai, D.; Oosterlee, C.W.

    2014-01-01

    Three computational techniques for approximation of counterparty exposure for financial derivatives are presented. The exposure can be used to quantify so-called Credit Valuation Adjustment (CVA) and Potential Future Exposure (PFE), which are of utmost importance for modern risk management in the

  15. Efficient computation of exposure profiles for counterparty credit risk

    NARCIS (Netherlands)

    C.S.L. de Graaf (Kees); Q. Feng (Qian); B.D. Kandhai; C.W. Oosterlee (Cornelis)

    2014-01-01

    htmlabstractThree computational techniques for approximation of counterparty exposure for financial derivatives are presented. The exposure can be used to quantify so-called Credit Valuation Adjustment (CVA) and Potential Future Exposure (PFE), which are of utmost importance for modern risk

  16. Using Weighted Graphs for Computationally Efficient WLAN Location Determination

    DEFF Research Database (Denmark)

    Thomsen, Bent; Hansen, Rene

    2007-01-01

    use of existing WLAN infrastructures. The technique consists of building a radio map of signal strength measurements which is searched to determine a position estimate. While the fingerprinting technique has produced good positioning accuracy results, the technique incurs a substantial computational...

  17. Computation of mode eigenfunctions in graded-index optical fibers by the propagating beam method

    International Nuclear Information System (INIS)

    Feit, M.D.; Fleck, J.A. Jr.

    1980-01-01

    The propagating beam method utilizes discrete Fourier transforms for generating configuration-space solutions to optical waveguide problems without reference to modes. The propagating beam method can also give a complete description of the field in terms of modes by a Fourier analysis with respect to axial distance of the computed fields. Earlier work dealt with the accurate determination of mode propagation constants and group delays. In this paper the method is extended to the computation of mode eigenfunctions. The method is efficient, allowing generation of a large number of eigenfunctions from a single propagation run. Computations for parabolic-index profiles show excellent agreement between analytic and numerically generated eigenfunctions

  18. An efficient method for sampling the essential subspace of proteins

    NARCIS (Netherlands)

    Amadei, A; Linssen, A.B M; de Groot, B.L.; van Aalten, D.M.F.; Berendsen, H.J.C.

    A method is presented for a more efficient sampling of the configurational space of proteins as compared to conventional sampling techniques such as molecular dynamics. The method is based on the large conformational changes in proteins revealed by the ''essential dynamics'' analysis. A form of

  19. An efficient Korringa-Kohn-Rostoker method for ''complex'' lattices

    International Nuclear Information System (INIS)

    Yussouff, M.; Zeller, R.

    1980-10-01

    We present a modification of the exact KKR-band structure method which uses (a) a new energy expansion for structure constants and (b) only the reciprocal lattice summation. It is quite efficient and particularly useful for 'complex' lattices. The band structure of hexagonal-close-packed Beryllium at symmetry points is presented as an example of this method. (author)

  20. Development and verification of an efficient spatial neutron kinetics method for reactivity-initiated event analyses

    International Nuclear Information System (INIS)

    Ikeda, Hideaki; Takeda, Toshikazu

    2001-01-01

    A space/time nodal diffusion code based on the nodal expansion method (NEM), EPISODE, was developed in order to evaluate transient neutron behavior in light water reactor cores. The present code employs the improved quasistatic (IQS) method for spatial neutron kinetics, and neutron flux distribution is numerically obtained by solving the neutron diffusion equation with the nonlinear iteration scheme to achieve fast computation. A predictor-corrector (PC) method developed in the present study enabled to apply a coarse time mesh to the transient spatial neutron calculation than that applicable in the conventional IQS model, which improved computational efficiency further. Its computational advantage was demonstrated by applying to the numerical benchmark problems that simulate reactivity-initiated events, showing reduction of computational times up to a factor of three than the conventional IQS. The thermohydraulics model was also incorporated in EPISODE, and the capability of realistic reactivity event analyses was verified using the SPERT-III/E-Core experimental data. (author)

  1. Efficient numerical methods for fluid- and electrodynamics on massively parallel systems

    Energy Technology Data Exchange (ETDEWEB)

    Zudrop, Jens

    2016-07-01

    In the last decade, computer technology has evolved rapidly. Modern high performance computing systems offer a tremendous amount of computing power in the range of a few peta floating point operations per second. In contrast, numerical software development is much slower and most existing simulation codes cannot exploit the full computing power of these systems. Partially, this is due to the numerical methods themselves and partially it is related to bottlenecks within the parallelization concept and its data structures. The goal of the thesis is the development of numerical algorithms and corresponding data structures to remedy both kinds of parallelization bottlenecks. The approach is based on a co-design of the numerical schemes (including numerical analysis) and their realizations in algorithms and software. Various kinds of applications, from multicomponent flows (Lattice Boltzmann Method) to electrodynamics (Discontinuous Galerkin Method) to embedded geometries (Octree), are considered and efficiency of the developed approaches is demonstrated for large scale simulations.

  2. Computer Facilitated Mathematical Methods in Chemical Engineering--Similarity Solution

    Science.gov (United States)

    Subramanian, Venkat R.

    2006-01-01

    High-performance computers coupled with highly efficient numerical schemes and user-friendly software packages have helped instructors to teach numerical solutions and analysis of various nonlinear models more efficiently in the classroom. One of the main objectives of a model is to provide insight about the system of interest. Analytical…

  3. Method for determining efficiency in a liquid scintillation system

    International Nuclear Information System (INIS)

    Laney, B.H.

    1975-01-01

    In a liquid scintillation system utilizing plural photomultiplyier means, a method for determining efficiency of coincident pulse detection. Various incremental counting efficiency levels are associated with asymptotic functions in a two dimension matrix in which the abscissa and ordinate correspond to the pulse heights of each of a pair of coincident pulses from different photomultiplier means. An efficiency determining point is located in the matrix based on the sum of the pulse heights of each of the coincident pulses as well as on the amplitude of the smallest pulse of the coincident pulses. The single counting efficiency determining point is recorded as the level of efficiency at which the photomultiplier means detect scintillations that generate coincident pulses having pulse heights equal to those recorded. (Patent Office Record)

  4. An efficient direct method for image registration of flat objects

    Science.gov (United States)

    Nikolaev, Dmitry; Tihonkih, Dmitrii; Makovetskii, Artyom; Voronin, Sergei

    2017-09-01

    Image alignment of rigid surfaces is a rapidly developing area of research and has many practical applications. Alignment methods can be roughly divided into two types: feature-based methods and direct methods. Known SURF and SIFT algorithms are examples of the feature-based methods. Direct methods refer to those that exploit the pixel intensities without resorting to image features and image-based deformations are general direct method to align images of deformable objects in 3D space. Nevertheless, it is not good for the registration of images of 3D rigid objects since the underlying structure cannot be directly evaluated. In the article, we propose a model that is suitable for image alignment of rigid flat objects under various illumination models. The brightness consistency assumptions used for reconstruction of optimal geometrical transformation. Computer simulation results are provided to illustrate the performance of the proposed algorithm for computing of an accordance between pixels of two images.

  5. Computationally Efficient 2D DOA Estimation for L-Shaped Array with Unknown Mutual Coupling

    Directory of Open Access Journals (Sweden)

    Yang-Yang Dong

    2018-01-01

    Full Text Available Although L-shaped array can provide good angle estimation performance and is easy to implement, its two-dimensional (2D direction-of-arrival (DOA performance degrades greatly in the presence of mutual coupling. To deal with the mutual coupling effect, a novel 2D DOA estimation method for L-shaped array with low computational complexity is developed in this paper. First, we generalize the conventional mutual coupling model for L-shaped array and compensate the mutual coupling blindly via sacrificing a few sensors as auxiliary elements. Then we apply the propagator method twice to mitigate the effect of strong source signal correlation effect. Finally, the estimations of azimuth and elevation angles are achieved simultaneously without pair matching via the complex eigenvalue technique. Compared with the existing methods, the proposed method is computationally efficient without spectrum search or polynomial rooting and also has fine angle estimation performance for highly correlated source signals. Theoretical analysis and simulation results have demonstrated the effectiveness of the proposed method.

  6. Errors in measuring absorbed radiation and computing crop radiation use efficiency

    International Nuclear Information System (INIS)

    Gallo, K.P.; Daughtry, C.S.T.; Wiegand, C.L.

    1993-01-01

    Radiation use efficiency (RUE) is often a crucial component of crop growth models that relate dry matter production to energy received by the crop. RUE is a ratio that has units g J -1 , if defined as phytomass per unit of energy received, and units J J -1 , if defined as the energy content of phytomass per unit of energy received. Both the numerator and denominator in computation of RUE can vary with experimental assumptions and methodologies. The objectives of this study were to examine the effect that different methods of measuring the numerator and denominator have on the RUE of corn (Zea mays L.) and to illustrate this variation with experimental data. Computational methods examined included (i) direct measurements of the fraction of photosynthetically active radiation absorbed (f A ), (ii) estimates of f A derived from leaf area index (LAI), and (iii) estimates of f A derived from spectral vegetation indices. Direct measurements of absorbed PAR from planting to physiological maturity of corn were consistently greater than the indirect estimates based on green LAI or the spectral vegetation indices. Consequently, the RUE calculated using directly measured absorbed PAR was lower than the RUE calculated using the indirect measures of absorbed PAR. For crops that contain senesced vegetation, green LAI and the spectral vegetation indices provide appropriate estimates of the fraction of PAR absorbed by a crop canopy and, thus, accurate estimates of crop radiation use efficiency

  7. Efficiency using computer simulation of Reverse Threshold Model Theory on assessing a “One Laptop Per Child” computer versus desktop computer

    Directory of Open Access Journals (Sweden)

    Supat Faarungsang

    2017-04-01

    Full Text Available The Reverse Threshold Model Theory (RTMT model was introduced based on limiting factor concepts, but its efficiency compared to the Conventional Model (CM has not been published. This investigation assessed the efficiency of RTMT compared to CM using computer simulation on the “One Laptop Per Child” computer and a desktop computer. Based on probability values, it was found that RTMT was more efficient than CM among eight treatment combinations and an earlier study verified that RTMT gives complete elimination of random error. Furthermore, RTMT has several advantages over CM and is therefore proposed to be applied to most research data.

  8. 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.

  9. Modeling of Methods to Control Heat-Consumption Efficiency

    Science.gov (United States)

    Tsynaeva, E. A.; Tsynaeva, A. A.

    2016-11-01

    In this work, consideration has been given to thermophysical processes in automated heat consumption control systems (AHCCSs) of buildings, flow diagrams of these systems, and mathematical models describing the thermophysical processes during the systems' operation; an analysis of adequacy of the mathematical models has been presented. A comparison has been made of the operating efficiency of the systems and the methods to control the efficiency. It has been determined that the operating efficiency of an AHCCS depends on its diagram and the temperature chart of central quality control (CQC) and also on the temperature of a low-grade heat source for the system with a heat pump.

  10. Computationally efficient statistical differential equation modeling using homogenization

    Science.gov (United States)

    Hooten, Mevin B.; Garlick, Martha J.; Powell, James A.

    2013-01-01

    Statistical models using partial differential equations (PDEs) to describe dynamically evolving natural systems are appearing in the scientific literature with some regularity in recent years. Often such studies seek to characterize the dynamics of temporal or spatio-temporal phenomena such as invasive species, consumer-resource interactions, community evolution, and resource selection. Specifically, in the spatial setting, data are often available at varying spatial and temporal scales. Additionally, the necessary numerical integration of a PDE may be computationally infeasible over the spatial support of interest. We present an approach to impose computationally advantageous changes of support in statistical implementations of PDE models and demonstrate its utility through simulation using a form of PDE known as “ecological diffusion.” We also apply a statistical ecological diffusion model to a data set involving the spread of mountain pine beetle (Dendroctonus ponderosae) in Idaho, USA.

  11. Image preprocessing for improving computational efficiency in implementation of restoration and superresolution algorithms.

    Science.gov (United States)

    Sundareshan, Malur K; Bhattacharjee, Supratik; Inampudi, Radhika; Pang, Ho-Yuen

    2002-12-10

    Computational complexity is a major impediment to the real-time implementation of image restoration and superresolution algorithms in many applications. Although powerful restoration algorithms have been developed within the past few years utilizing sophisticated mathematical machinery (based on statistical optimization and convex set theory), these algorithms are typically iterative in nature and require a sufficient number of iterations to be executed to achieve the desired resolution improvement that may be needed to meaningfully perform postprocessing image exploitation tasks in practice. Additionally, recent technological breakthroughs have facilitated novel sensor designs (focal plane arrays, for instance) that make it possible to capture megapixel imagery data at video frame rates. A major challenge in the processing of these large-format images is to complete the execution of the image processing steps within the frame capture times and to keep up with the output rate of the sensor so that all data captured by the sensor can be efficiently utilized. Consequently, development of novel methods that facilitate real-time implementation of image restoration and superresolution algorithms is of significant practical interest and is the primary focus of this study. The key to designing computationally efficient processing schemes lies in strategically introducing appropriate preprocessing steps together with the superresolution iterations to tailor optimized overall processing sequences for imagery data of specific formats. For substantiating this assertion, three distinct methods for tailoring a preprocessing filter and integrating it with the superresolution processing steps are outlined. These methods consist of a region-of-interest extraction scheme, a background-detail separation procedure, and a scene-derived information extraction step for implementing a set-theoretic restoration of the image that is less demanding in computation compared with the

  12. Wireless-Uplinks-Based Energy-Efficient Scheduling in Mobile Cloud Computing

    OpenAIRE

    Xing Liu; Chaowei Yuan; Zhen Yang; Enda Peng

    2015-01-01

    Mobile cloud computing (MCC) combines cloud computing and mobile internet to improve the computational capabilities of resource-constrained mobile devices (MDs). In MCC, mobile users could not only improve the computational capability of MDs but also save operation consumption by offloading the mobile applications to the cloud. However, MCC faces the problem of energy efficiency because of time-varying channels when the offloading is being executed. In this paper, we address the issue of ener...

  13. Efficient Strategy Computation in Zero-Sum Asymmetric Repeated Games

    KAUST Repository

    Li, Lichun

    2017-03-06

    Zero-sum asymmetric games model decision making scenarios involving two competing players who have different information about the game being played. A particular case is that of nested information, where one (informed) player has superior information over the other (uninformed) player. This paper considers the case of nested information in repeated zero-sum games and studies the computation of strategies for both the informed and uninformed players for finite-horizon and discounted infinite-horizon nested information games. For finite-horizon settings, we exploit that for both players, the security strategy, and also the opponent\\'s corresponding best response depend only on the informed player\\'s history of actions. Using this property, we refine the sequence form, and formulate an LP computation of player strategies that is linear in the size of the uninformed player\\'s action set. For the infinite-horizon discounted game, we construct LP formulations to compute the approximated security strategies for both players, and provide a bound on the performance difference between the approximated security strategies and the security strategies. Finally, we illustrate the results on a network interdiction game between an informed system administrator and uniformed intruder.

  14. Computer prediction of subsurface radionuclide transport: an adaptive numerical method

    International Nuclear Information System (INIS)

    Neuman, S.P.

    1983-01-01

    Radionuclide transport in the subsurface is often modeled with the aid of the advection-dispersion equation. A review of existing computer methods for the solution of this equation shows that there is need for improvement. To answer this need, a new adaptive numerical method is proposed based on an Eulerian-Lagrangian formulation. The method is based on a decomposition of the concentration field into two parts, one advective and one dispersive, in a rigorous manner that does not leave room for ambiguity. The advective component of steep concentration fronts is tracked forward with the aid of moving particles clustered around each front. Away from such fronts the advection problem is handled by an efficient modified method of characteristics called single-step reverse particle tracking. When a front dissipates with time, its forward tracking stops automatically and the corresponding cloud of particles is eliminated. The dispersion problem is solved by an unconventional Lagrangian finite element formulation on a fixed grid which involves only symmetric and diagonal matrices. Preliminary tests against analytical solutions of ne- and two-dimensional dispersion in a uniform steady state velocity field suggest that the proposed adaptive method can handle the entire range of Peclet numbers from 0 to infinity, with Courant numbers well in excess of 1

  15. Semi-coarsening multigrid methods for parallel computing

    Energy Technology Data Exchange (ETDEWEB)

    Jones, J.E.

    1996-12-31

    Standard multigrid methods are not well suited for problems with anisotropic coefficients which can occur, for example, on grids that are stretched to resolve a boundary layer. There are several different modifications of the standard multigrid algorithm that yield efficient methods for anisotropic problems. In the paper, we investigate the parallel performance of these multigrid algorithms. Multigrid algorithms which work well for anisotropic problems are based on line relaxation and/or semi-coarsening. In semi-coarsening multigrid algorithms a grid is coarsened in only one of the coordinate directions unlike standard or full-coarsening multigrid algorithms where a grid is coarsened in each of the coordinate directions. When both semi-coarsening and line relaxation are used, the resulting multigrid algorithm is robust and automatic in that it requires no knowledge of the nature of the anisotropy. This is the basic multigrid algorithm whose parallel performance we investigate in the paper. The algorithm is currently being implemented on an IBM SP2 and its performance is being analyzed. In addition to looking at the parallel performance of the basic semi-coarsening algorithm, we present algorithmic modifications with potentially better parallel efficiency. One modification reduces the amount of computational work done in relaxation at the expense of using multiple coarse grids. This modification is also being implemented with the aim of comparing its performance to that of the basic semi-coarsening algorithm.

  16. Energy-efficient cloud computing : autonomic resource provisioning for datacenters

    OpenAIRE

    Tesfatsion, Selome Kostentinos

    2018-01-01

    Energy efficiency has become an increasingly important concern in data centers because of issues associated with energy consumption, such as capital costs, operating expenses, and environmental impact. While energy loss due to suboptimal use of facilities and non-IT equipment has largely been reduced through the use of best-practice technologies, addressing energy wastage in IT equipment still requires the design and implementation of energy-aware resource management systems. This thesis focu...

  17. New or improved computational methods and advanced reactor design

    International Nuclear Information System (INIS)

    Nakagawa, Masayuki; Takeda, Toshikazu; Ushio, Tadashi

    1997-01-01

    Nuclear computational method has been studied continuously up to date, as a fundamental technology supporting the nuclear development. At present, research on computational method according to new theory and the calculating method thought to be difficult to practise are also continued actively to find new development due to splendid improvement of features of computer. In Japan, many light water type reactors are now in operations, new computational methods are induced for nuclear design, and a lot of efforts are concentrated for intending to more improvement of economics and safety. In this paper, some new research results on the nuclear computational methods and their application to nuclear design of the reactor were described for introducing recent trend of the nuclear design of the reactor. 1) Advancement of the computational method, 2) Reactor core design and management of the light water reactor, and 3) Nuclear design of the fast reactor. (G.K.)

  18. A Method for Determining Optimal Residential Energy Efficiency Packages

    Energy Technology Data Exchange (ETDEWEB)

    Polly, B. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Gestwick, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Bianchi, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Anderson, R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Horowitz, S. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Christensen, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Judkoff, R. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2011-04-01

    This report describes an analysis method for determining optimal residential energy efficiency retrofit packages and, as an illustrative example, applies the analysis method to a 1960s-era home in eight U.S. cities covering a range of International Energy Conservation Code (IECC) climate regions. The method uses an optimization scheme that considers average energy use (determined from building energy simulations) and equivalent annual cost to recommend optimal retrofit packages specific to the building, occupants, and location.

  19. An efficient multilevel optimization method for engineering design

    Science.gov (United States)

    Vanderplaats, G. N.; Yang, Y. J.; Kim, D. S.

    1988-01-01

    An efficient multilevel deisgn optimization technique is presented. The proposed method is based on the concept of providing linearized information between the system level and subsystem level optimization tasks. The advantages of the method are that it does not require optimum sensitivities, nonlinear equality constraints are not needed, and the method is relatively easy to use. The disadvantage is that the coupling between subsystems is not dealt with in a precise mathematical manner.

  20. Does computer-aided surgical simulation improve efficiency in bimaxillary orthognathic surgery?

    Science.gov (United States)

    Schwartz, H C

    2014-05-01

    The purpose of this study was to compare the efficiency of bimaxillary orthognathic surgery using computer-aided surgical simulation (CASS), with cases planned using traditional methods. Total doctor time was used to measure efficiency. While costs vary widely in different localities and in different health schemes, time is a valuable and limited resource everywhere. For this reason, total doctor time is a more useful measure of efficiency than is cost. Even though we use CASS primarily for planning more complex cases at the present time, this study showed an average saving of 60min for each case. In the context of a department that performs 200 bimaxillary cases each year, this would represent a saving of 25 days of doctor time, if applied to every case. It is concluded that CASS offers great potential for improving efficiency when used in the planning of bimaxillary orthognathic surgery. It saves significant doctor time that can be applied to additional surgical work. Copyright © 2013 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

  1. A computer method for spectral classification

    International Nuclear Information System (INIS)

    Appenzeller, I.; Zekl, H.

    1978-01-01

    The authors describe the start of an attempt to improve the accuracy of spectroscopic parallaxes by evaluating spectroscopic temperature and luminosity criteria such as those of the MK classification spectrograms which were analyzed automatically by means of a suitable computer program. (Auth.)

  2. Computational structural biology: methods and applications

    National Research Council Canada - National Science Library

    Schwede, Torsten; Peitsch, Manuel Claude

    2008-01-01

    ... sequencing reinforced the observation that structural information is needed to understand the detailed function and mechanism of biological molecules such as enzyme reactions and molecular recognition events. Furthermore, structures are obviously key to the design of molecules with new or improved functions. In this context, computational structural biology...

  3. COMPUTATIONAL EFFICIENCY OF A MODIFIED SCATTERING KERNEL FOR FULL-COUPLED PHOTON-ELECTRON TRANSPORT PARALLEL COMPUTING WITH UNSTRUCTURED TETRAHEDRAL MESHES

    Directory of Open Access Journals (Sweden)

    JONG WOON KIM

    2014-04-01

    In this paper, we introduce a modified scattering kernel approach to avoid the unnecessarily repeated calculations involved with the scattering source calculation, and used it with parallel computing to effectively reduce the computation time. Its computational efficiency was tested for three-dimensional full-coupled photon-electron transport problems using our computer program which solves the multi-group discrete ordinates transport equation by using the discontinuous finite element method with unstructured tetrahedral meshes for complicated geometrical problems. The numerical tests show that we can improve speed up to 17∼42 times for the elapsed time per iteration using the modified scattering kernel, not only in the single CPU calculation but also in the parallel computing with several CPUs.

  4. Greater power and computational efficiency for kernel-based association testing of sets of genetic variants.

    Science.gov (United States)

    Lippert, Christoph; Xiang, Jing; Horta, Danilo; Widmer, Christian; Kadie, Carl; Heckerman, David; Listgarten, Jennifer

    2014-11-15

    Set-based variance component tests have been identified as a way to increase power in association studies by aggregating weak individual effects. However, the choice of test statistic has been largely ignored even though it may play an important role in obtaining optimal power. We compared a standard statistical test-a score test-with a recently developed likelihood ratio (LR) test. Further, when correction for hidden structure is needed, or gene-gene interactions are sought, state-of-the art algorithms for both the score and LR tests can be computationally impractical. Thus we develop new computationally efficient methods. After reviewing theoretical differences in performance between the score and LR tests, we find empirically on real data that the LR test generally has more power. In particular, on 15 of 17 real datasets, the LR test yielded at least as many associations as the score test-up to 23 more associations-whereas the score test yielded at most one more association than the LR test in the two remaining datasets. On synthetic data, we find that the LR test yielded up to 12% more associations, consistent with our results on real data, but also observe a regime of extremely small signal where the score test yielded up to 25% more associations than the LR test, consistent with theory. Finally, our computational speedups now enable (i) efficient LR testing when the background kernel is full rank, and (ii) efficient score testing when the background kernel changes with each test, as for gene-gene interaction tests. The latter yielded a factor of 2000 speedup on a cohort of size 13 500. Software available at http://research.microsoft.com/en-us/um/redmond/projects/MSCompBio/Fastlmm/. heckerma@microsoft.com Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press.

  5. Thermoelectricity analogy method for computing the periodic heat transfer in external building envelopes

    International Nuclear Information System (INIS)

    Peng Changhai; Wu Zhishen

    2008-01-01

    Simple and effective computation methods are needed to calculate energy efficiency in buildings for building thermal comfort and HVAC system simulations. This paper, which is based upon the theory of thermoelectricity analogy, develops a new harmonic method, the thermoelectricity analogy method (TEAM), to compute the periodic heat transfer in external building envelopes (EBE). It presents, in detail, the principles and specific techniques of TEAM to calculate both the decay rates and time lags of EBE. First, a set of linear equations is established using the theory of thermoelectricity analogy. Second, the temperature of each node is calculated by solving the linear equations set. Finally, decay rates and time lags are found by solving simple mathematical expressions. Comparisons show that this method is highly accurate and efficient. Moreover, relative to the existing harmonic methods, which are based on the classical control theory and the method of separation of variables, TEAM does not require complicated derivation and is amenable to hand computation and programming

  6. Work-Efficient Parallel Skyline Computation for the GPU

    DEFF Research Database (Denmark)

    Bøgh, Kenneth Sejdenfaden; Chester, Sean; Assent, Ira

    2015-01-01

    offers the potential for parallelizing skyline computation across thousands of cores. However, attempts to port skyline algorithms to the GPU have prioritized throughput and failed to outperform sequential algorithms. In this paper, we introduce a new skyline algorithm, designed for the GPU, that uses...... a global, static partitioning scheme. With the partitioning, we can permit controlled branching to exploit transitive relationships and avoid most point-to-point comparisons. The result is a non-traditional GPU algorithm, SkyAlign, that prioritizes work-effciency and respectable throughput, rather than...

  7. Application of an efficient Bayesian discretization method to biomedical data

    Directory of Open Access Journals (Sweden)

    Gopalakrishnan Vanathi

    2011-07-01

    Full Text Available Abstract Background Several data mining methods require data that are discrete, and other methods often perform better with discrete data. We introduce an efficient Bayesian discretization (EBD method for optimal discretization of variables that runs efficiently on high-dimensional biomedical datasets. The EBD method consists of two components, namely, a Bayesian score to evaluate discretizations and a dynamic programming search procedure to efficiently search the space of possible discretizations. We compared the performance of EBD to Fayyad and Irani's (FI discretization method, which is commonly used for discretization. Results On 24 biomedical datasets obtained from high-throughput transcriptomic and proteomic studies, the classification performances of the C4.5 classifier and the naïve Bayes classifier were statistically significantly better when the predictor variables were discretized using EBD over FI. EBD was statistically significantly more stable to the variability of the datasets than FI. However, EBD was less robust, though not statistically significantly so, than FI and produced slightly more complex discretizations than FI. Conclusions On a range of biomedical datasets, a Bayesian discretization method (EBD yielded better classification performance and stability but was less robust than the widely used FI discretization method. The EBD discretization method is easy to implement, permits the incorporation of prior knowledge and belief, and is sufficiently fast for application to high-dimensional data.

  8. Vectorization on the star computer of several numerical methods for a fluid flow problem

    Science.gov (United States)

    Lambiotte, J. J., Jr.; Howser, L. M.

    1974-01-01

    A reexamination of some numerical methods is considered in light of the new class of computers which use vector streaming to achieve high computation rates. A study has been made of the effect on the relative efficiency of several numerical methods applied to a particular fluid flow problem when they are implemented on a vector computer. The method of Brailovskaya, the alternating direction implicit method, a fully implicit method, and a new method called partial implicitization have been applied to the problem of determining the steady state solution of the two-dimensional flow of a viscous imcompressible fluid in a square cavity driven by a sliding wall. Results are obtained for three mesh sizes and a comparison is made of the methods for serial computation.

  9. A Cloud Computing-Enabled Spatio-Temporal Cyber-Physical Information Infrastructure for Efficient Soil Moisture Monitoring

    Directory of Open Access Journals (Sweden)

    Lianjie Zhou

    2016-06-01

    Full Text Available Comprehensive surface soil moisture (SM monitoring is a vital task in precision agriculture applications. SM monitoring includes remote sensing imagery monitoring and in situ sensor-based observational monitoring. Cloud computing can increase computational efficiency enormously. A geographical web service was developed to assist in agronomic decision making, and this tool can be scaled to any location and crop. By integrating cloud computing and the web service-enabled information infrastructure, this study uses the cloud computing-enabled spatio-temporal cyber-physical infrastructure (CESCI to provide an efficient solution for soil moisture monitoring in precision agriculture. On the server side of CESCI, diverse Open Geospatial Consortium web services work closely with each other. Hubei Province, located on the Jianghan Plain in central China, is selected as the remote sensing study area in the experiment. The Baoxie scientific experimental field in Wuhan City is selected as the in situ sensor study area. The results show that the proposed method enhances the efficiency of remote sensing imagery mapping and in situ soil moisture interpolation. In addition, the proposed method is compared to other existing precision agriculture infrastructures. In this comparison, the proposed infrastructure performs soil moisture mapping in Hubei Province in 1.4 min and near real-time in situ soil moisture interpolation in an efficient manner. Moreover, an enhanced performance monitoring method can help to reduce costs in precision agriculture monitoring, as well as increasing agricultural productivity and farmers’ net-income.

  10. Probabilistic Damage Characterization Using the Computationally-Efficient Bayesian Approach

    Science.gov (United States)

    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.

  11. Computationally efficient algorithms for statistical image processing : implementation in R

    NARCIS (Netherlands)

    Langovoy, M.; Wittich, O.

    2010-01-01

    In the series of our earlier papers on the subject, we proposed a novel statistical hypothesis testing method for detection of objects in noisy images. The method uses results from percolation theory and random graph theory. We developed algorithms that allowed to detect objects of unknown shapes in

  12. Soft computing methods for geoidal height transformation

    Science.gov (United States)

    Akyilmaz, O.; Özlüdemir, M. T.; Ayan, T.; Çelik, R. N.

    2009-07-01

    Soft computing techniques, such as fuzzy logic and artificial neural network (ANN) approaches, have enabled researchers to create precise models for use in many scientific and engineering applications. Applications that can be employed in geodetic studies include the estimation of earth rotation parameters and the determination of mean sea level changes. Another important field of geodesy in which these computing techniques can be applied is geoidal height transformation. We report here our use of a conventional polynomial model, the Adaptive Network-based Fuzzy (or in some publications, Adaptive Neuro-Fuzzy) Inference System (ANFIS), an ANN and a modified ANN approach to approximate geoid heights. These approximation models have been tested on a number of test points. The results obtained through the transformation processes from ellipsoidal heights into local levelling heights have also been compared.

  13. Soft Computing Methods in Design of Superalloys

    Science.gov (United States)

    Cios, K. J.; Berke, L.; Vary, A.; Sharma, S.

    1996-01-01

    Soft computing techniques of neural networks and genetic algorithms are used in the design of superalloys. The cyclic oxidation attack parameter K(sub a), generated from tests at NASA Lewis Research Center, is modelled as a function of the superalloy chemistry and test temperature using a neural network. This model is then used in conjunction with a genetic algorithm to obtain an optimized superalloy composition resulting in low K(sub a) values.

  14. Statistical methods and computing for big data

    Science.gov (United States)

    Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing

    2016-01-01

    Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay. PMID:27695593

  15. Statistical methods and computing for big data.

    Science.gov (United States)

    Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing; Yan, Jun

    2016-01-01

    Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay.

  16. Parallel computation of multigroup reactivity coefficient using iterative method

    Science.gov (United States)

    Susmikanti, Mike; Dewayatna, Winter

    2013-09-01

    One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.

  17. Efficient Implementation of Many-body Quantum Chemical Methods on the Intel Xeon Phi Coprocessor

    Energy Technology Data Exchange (ETDEWEB)

    Apra, Edoardo; Klemm, Michael; Kowalski, Karol

    2014-12-01

    This paper presents the implementation and performance of the highly accurate CCSD(T) quantum chemistry method on the Intel Xeon Phi coprocessor within the context of the NWChem computational chemistry package. The widespread use of highly correlated methods in electronic structure calculations is contingent upon the interplay between advances in theory and the possibility of utilizing the ever-growing computer power of emerging heterogeneous architectures. We discuss the design decisions of our implementation as well as the optimizations applied to the compute kernels and data transfers between host and coprocessor. We show the feasibility of adopting the Intel Many Integrated Core Architecture and the Intel Xeon Phi coprocessor for developing efficient computational chemistry modeling tools. Remarkable scalability is demonstrated by benchmarks. Our solution scales up to a total of 62560 cores with the concurrent utilization of Intel Xeon processors and Intel Xeon Phi coprocessors.

  18. Simple Methods to Approximate CPC Shape to Preserve Collection Efficiency

    Directory of Open Access Journals (Sweden)

    David Jafrancesco

    2012-01-01

    Full Text Available The compound parabolic concentrator (CPC is the most efficient reflective geometry to collect light to an exit port. Anyway, to allow its actual use in solar plants or photovoltaic concentration systems, a tradeoff between system efficiency and cost reduction, the two key issues for sunlight exploitation, must be found. In this work, we analyze various methods to model an approximated CPC aimed to be simpler and more cost-effective than the ideal one, as well as to preserve the system efficiency. The manufacturing easiness arises from the use of truncated conic surfaces only, which can be realized by cheap machining techniques. We compare different configurations on the basis of their collection efficiency, evaluated by means of nonsequential ray-tracing software. Moreover, due to the fact that some configurations are beam dependent and for a closer approximation of a real case, the input beam is simulated as nonsymmetric, with a nonconstant irradiance on the CPC internal surface.

  19. Removing efficiency of radon from water by different methods

    International Nuclear Information System (INIS)

    Muellerova, M.; Holy, K.; Gulasova, Z.; Polaskova, A.

    2008-01-01

    In this contribution problem of radon removing from water samples by different methods was tested. Lowest efficiency of deemanation was achieved at tossing of water from one vessel into the other. For increasing of efficiency deemanation of radon use of needle-bath principle was also used. Low efficiency deemanation was found at trapping of radon from sample of water by toluene (83 ± 5) %, too. Reversal highest efficiency deemanation of radon from water was reached at aerating by argon (95 ± 6)%. It is shown, that reduction of volume activity of radon in water under 0.1 Bq/dm l - 3 is big problem. Suppression of this limit will claim use of more completion and sophistic approaches. (author)

  20. Modeling Techniques for a Computational Efficient Dynamic Turbofan Engine Model

    Directory of Open Access Journals (Sweden)

    Rory A. Roberts

    2014-01-01

    Full Text Available A transient two-stream engine model has been developed. Individual component models developed exclusively in MATLAB/Simulink including the fan, high pressure compressor, combustor, high pressure turbine, low pressure turbine, plenum volumes, and exit nozzle have been combined to investigate the behavior of a turbofan two-stream engine. Special attention has been paid to the development of transient capabilities throughout the model, increasing physics model, eliminating algebraic constraints, and reducing simulation time through enabling the use of advanced numerical solvers. The lessening of computation time is paramount for conducting future aircraft system-level design trade studies and optimization. The new engine model is simulated for a fuel perturbation and a specified mission while tracking critical parameters. These results, as well as the simulation times, are presented. The new approach significantly reduces the simulation time.

  1. Efficient Computational Design of a Scaffold for Cartilage Cell Regeneration

    DEFF Research Database (Denmark)

    Tajsoleiman, Tannaz; Jafar Abdekhodaie, Mohammad; Gernaey, Krist V.

    2018-01-01

    Due to the sensitivity of mammalian cell cultures, understanding the influence of operating conditions during a tissue generation procedure is crucial. In this regard, a detailed study of scaffold based cell culture under a perfusion flow is presented with the aid of mathematical modelling...... and computational fluid dynamics (CFD). With respect to the complexity of the case study, this work focuses solely on the effect of nutrient and metabolite concentrations, and the possible influence of fluid-induced shear stress on a targeted cell (cartilage) culture. The simulation set up gives the possibility...... of predicting the cell culture behavior under various operating conditions and scaffold designs. Thereby, the exploitation of the predictive simulation into a newly developed stochastic routine provides the opportunity of exploring improved scaffold geometry designs. This approach was applied on a common type...

  2. Journal of EEA, Vol. 27, 2010 COMPUTATIONALLY EFFICIENT ...

    African Journals Online (AJOL)

    CBC

    using a commercial structural analysis software system. .... In Eqs. (1), Ax and Iz.x represent the cross-sectional area and ... common types for the setup of analysis equations; these are ..... manual calculations based on the Cross method of.

  3. On the Design of Energy-Efficient Location Tracking Mechanism in Location-Aware Computing

    Directory of Open Access Journals (Sweden)

    MoonBae Song

    2005-01-01

    Full Text Available The battery, in contrast to other hardware, is not governed by Moore's Law. In location-aware computing, power is a very limited resource. As a consequence, recently, a number of promising techniques in various layers have been proposed to reduce the energy consumption. The paper considers the problem of minimizing the energy used to track the location of mobile user over a wireless link in mobile computing. Energy-efficient location update protocol can be done by reducing the number of location update messages as possible and switching off as long as possible. This can be achieved by the concept of mobility-awareness we propose. For this purpose, this paper proposes a novel mobility model, called state-based mobility model (SMM to provide more generalized framework for both describing the mobility and updating location information of complexly moving objects. We also introduce the state-based location update protocol (SLUP based on this mobility model. An extensive experiment on various synthetic datasets shows that the proposed method improves the energy efficiency by 2 ∼ 3 times with the additional 10% of imprecision cost.

  4. Sparsity-weighted outlier FLOODing (OFLOOD) method: Efficient rare event sampling method using sparsity of distribution.

    Science.gov (United States)

    Harada, Ryuhei; Nakamura, Tomotake; Shigeta, Yasuteru

    2016-03-30

    As an extension of the Outlier FLOODing (OFLOOD) method [Harada et al., J. Comput. Chem. 2015, 36, 763], the sparsity of the outliers defined by a hierarchical clustering algorithm, FlexDice, was considered to achieve an efficient conformational search as sparsity-weighted "OFLOOD." In OFLOOD, FlexDice detects areas of sparse distribution as outliers. The outliers are regarded as candidates that have high potential to promote conformational transitions and are employed as initial structures for conformational resampling by restarting molecular dynamics simulations. When detecting outliers, FlexDice defines a rank in the hierarchy for each outlier, which relates to sparsity in the distribution. In this study, we define a lower rank (first ranked), a medium rank (second ranked), and the highest rank (third ranked) outliers, respectively. For instance, the first-ranked outliers are located in a given conformational space away from the clusters (highly sparse distribution), whereas those with the third-ranked outliers are nearby the clusters (a moderately sparse distribution). To achieve the conformational search efficiently, resampling from the outliers with a given rank is performed. As demonstrations, this method was applied to several model systems: Alanine dipeptide, Met-enkephalin, Trp-cage, T4 lysozyme, and glutamine binding protein. In each demonstration, the present method successfully reproduced transitions among metastable states. In particular, the first-ranked OFLOOD highly accelerated the exploration of conformational space by expanding the edges. In contrast, the third-ranked OFLOOD reproduced local transitions among neighboring metastable states intensively. For quantitatively evaluations of sampled snapshots, free energy calculations were performed with a combination of umbrella samplings, providing rigorous landscapes of the biomolecules. © 2015 Wiley Periodicals, Inc.

  5. An efficient method for solving fractional Sturm-Liouville problems

    International Nuclear Information System (INIS)

    Al-Mdallal, Qasem M.

    2009-01-01

    The numerical approximation of the eigenvalues and the eigenfunctions of the fractional Sturm-Liouville problems, in which the second order derivative is replaced by a fractional derivative, is considered. The present results can be implemented on the numerical solution of the fractional diffusion-wave equation. The results show the simplicity and efficiency of the numerical method.

  6. Cattle slurry on grassland - application methods and nitrogen use efficiency

    NARCIS (Netherlands)

    Lalor, S.T.J.

    2014-01-01

    Cattle slurry represents a significant resource on grassland-based farming systems. The objective of this thesis was to investigate and devise cattle slurry application methods and strategies that can be implemented on grassland farms to improve the efficiency with which nitrogen (N) in

  7. The relative efficiency of three methods of estimating herbage mass ...

    African Journals Online (AJOL)

    The methods involved were randomly placed circular quadrats; randomly placed narrow strips; and disc meter sampling. Disc meter and quadrat sampling appear to be more efficient than strip sampling. In a subsequent small plot grazing trial the estimates of herbage mass, using the disc meter, had a consistent precision ...

  8. Efficiency analysis of hydrogen production methods from biomass

    NARCIS (Netherlands)

    Ptasinski, K.J.

    2008-01-01

    Abstract: Hydrogen is considered as a universal energy carrier for the future, and biomass has the potential to become a sustainable source of hydrogen. This article presents an efficiency analysis of hydrogen production processes from a variety of biomass feedstocks by a thermochemical method

  9. An Automatic High Efficient Method for Dish Concentrator Alignment

    Directory of Open Access Journals (Sweden)

    Yong Wang

    2014-01-01

    for the alignment of faceted solar dish concentrator. The isosceles triangle configuration of facet’s footholds determines a fixed relation between light spot displacements and foothold movements, which allows an automatic determination of the amount of adjustments. Tests on a 25 kW Stirling Energy System dish concentrator verify the feasibility, accuracy, and efficiency of our method.

  10. Simple and efficient methods for isolation and activity measurement ...

    African Journals Online (AJOL)

    Jane

    2011-06-29

    Jun 29, 2011 ... Key words: Hirudin, thrombin titration method, chromatography, purification. INTRODUCTION. Since recombinant ... Escherichia coli in 1986, intensive research had been .... mixed with 50 µl sample was incubated in 37°C water for 5 min, then 5 µl .... conclusion, the concise and efficient isolation line of the.

  11. Efficient method for transport simulations in quantum cascade lasers

    Directory of Open Access Journals (Sweden)

    Maczka Mariusz

    2017-01-01

    Full Text Available An efficient method for simulating quantum transport in quantum cascade lasers is presented. The calculations are performed within a simple approximation inspired by Büttiker probes and based on a finite model for semiconductor superlattices. The formalism of non-equilibrium Green’s functions is applied to determine the selected transport parameters in a typical structure of a terahertz laser. Results were compared with those obtained for a infinite model as well as other methods described in literature.

  12. Towards the Automatic Detection of Efficient Computing Assets in a Heterogeneous Cloud Environment

    OpenAIRE

    Iglesias, Jesus Omana; Stokes, Nicola; Ventresque, Anthony; Murphy, Liam, B.E.; Thorburn, James

    2013-01-01

    peer-reviewed In a heterogeneous cloud environment, the manual grading of computing assets is the first step in the process of configuring IT infrastructures to ensure optimal utilization of resources. Grading the efficiency of computing assets is however, a difficult, subjective and time consuming manual task. Thus, an automatic efficiency grading algorithm is highly desirable. In this paper, we compare the effectiveness of the different criteria used in the manual gr...

  13. Depth compensating calculation method of computer-generated holograms using symmetry and similarity of zone plates

    Science.gov (United States)

    Wei, Hui; Gong, Guanghong; Li, Ni

    2017-10-01

    Computer-generated hologram (CGH) is a promising 3D display technology while it is challenged by heavy computation load and vast memory requirement. To solve these problems, a depth compensating CGH calculation method based on symmetry and similarity of zone plates is proposed and implemented on graphics processing unit (GPU). An improved LUT method is put forward to compute the distances between object points and hologram pixels in the XY direction. The concept of depth compensating factor is defined and used for calculating the holograms of points with different depth positions instead of layer-based methods. The proposed method is suitable for arbitrary sampling objects with lower memory usage and higher computational efficiency compared to other CGH methods. The effectiveness of the proposed method is validated by numerical and optical experiments.

  14. Use of Debye's series to determine the optimal edge-effect terms for computing the extinction efficiencies of spheroids.

    Science.gov (United States)

    Lin, Wushao; Bi, Lei; Liu, Dong; Zhang, Kejun

    2017-08-21

    The extinction efficiencies of atmospheric particles are essential to determining radiation attenuation and thus are fundamentally related to atmospheric radiative transfer. The extinction efficiencies can also be used to retrieve particle sizes or refractive indices through particle characterization techniques. This study first uses the Debye series to improve the accuracy of high-frequency extinction formulae for spheroids in the context of Complex angular momentum theory by determining an optimal number of edge-effect terms. We show that the optimal edge-effect terms can be accurately obtained by comparing the results from the approximate formula with their counterparts computed from the invariant imbedding Debye series and T-matrix methods. An invariant imbedding T-matrix method is employed for particles with strong absorption, in which case the extinction efficiency is equivalent to two plus the edge-effect efficiency. For weakly absorptive or non-absorptive particles, the T-matrix results contain the interference between the diffraction and higher-order transmitted rays. Therefore, the Debye series was used to compute the edge-effect efficiency by separating the interference from the transmission on the extinction efficiency. We found that the optimal number strongly depends on the refractive index and is relatively insensitive to the particle geometry and size parameter. By building a table of optimal numbers of edge-effect terms, we developed an efficient and accurate extinction simulator that has been fully tested for randomly oriented spheroids with various aspect ratios and a wide range of refractive indices.

  15. Advanced Computational Methods for Monte Carlo Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Forrest B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2018-01-12

    This course is intended for graduate students who already have a basic understanding of Monte Carlo methods. It focuses on advanced topics that may be needed for thesis research, for developing new state-of-the-art methods, or for working with modern production Monte Carlo codes.

  16. Computational methods for two-phase flow and particle transport

    CERN Document Server

    Lee, Wen Ho

    2013-01-01

    This book describes mathematical formulations and computational methods for solving two-phase flow problems with a computer code that calculates thermal hydraulic problems related to light water and fast breeder reactors. The physical model also handles the particle and gas flow problems that arise from coal gasification and fluidized beds. The second part of this book deals with the computational methods for particle transport.

  17. Reference depth for geostrophic computation - A new method

    Digital Repository Service at National Institute of Oceanography (India)

    Varkey, M.J.; Sastry, J.S.

    Various methods are available for the determination of reference depth for geostrophic computation. A new method based on the vertical profiles of mean and variance of the differences of mean specific volume anomaly (delta x 10) for different layers...

  18. Lattice Boltzmann method fundamentals and engineering applications with computer codes

    CERN Document Server

    Mohamad, A A

    2014-01-01

    Introducing the Lattice Boltzmann Method in a readable manner, this book provides detailed examples with complete computer codes. It avoids the most complicated mathematics and physics without scarifying the basic fundamentals of the method.

  19. Development of efficient time-evolution method based on three-term recurrence relation

    International Nuclear Information System (INIS)

    Akama, Tomoko; Kobayashi, Osamu; Nanbu, Shinkoh

    2015-01-01

    The advantage of the real-time (RT) propagation method is a direct solution of the time-dependent Schrödinger equation which describes frequency properties as well as all dynamics of a molecular system composed of electrons and nuclei in quantum physics and chemistry. Its applications have been limited by computational feasibility, as the evaluation of the time-evolution operator is computationally demanding. In this article, a new efficient time-evolution method based on the three-term recurrence relation (3TRR) was proposed to reduce the time-consuming numerical procedure. The basic formula of this approach was derived by introducing a transformation of the operator using the arcsine function. Since this operator transformation causes transformation of time, we derived the relation between original and transformed time. The formula was adapted to assess the performance of the RT time-dependent Hartree-Fock (RT-TDHF) method and the time-dependent density functional theory. Compared to the commonly used fourth-order Runge-Kutta method, our new approach decreased computational time of the RT-TDHF calculation by about factor of four, showing the 3TRR formula to be an efficient time-evolution method for reducing computational cost

  20. An efficient network for interconnecting remote monitoring instruments and computers

    International Nuclear Information System (INIS)

    Halbig, J.K.; Gainer, K.E.; Klosterbuer, S.F.

    1994-01-01

    Remote monitoring instrumentation must be connected with computers and other instruments. The cost and intrusiveness of installing cables in new and existing plants presents problems for the facility and the International Atomic Energy Agency (IAEA). The authors have tested a network that could accomplish this interconnection using mass-produced commercial components developed for use in industrial applications. Unlike components in the hardware of most networks, the components--manufactured and distributed in North America, Europe, and Asia--lend themselves to small and low-powered applications. The heart of the network is a chip with three microprocessors and proprietary network software contained in Read Only Memory. In addition to all nonuser levels of protocol, the software also contains message authentication capabilities. This chip can be interfaced to a variety of transmission media, for example, RS-485 lines, fiber topic cables, rf waves, and standard ac power lines. The use of power lines as the transmission medium in a facility could significantly reduce cabling costs

  1. Enabling Efficient Climate Science Workflows in High Performance Computing Environments

    Science.gov (United States)

    Krishnan, H.; Byna, S.; Wehner, M. F.; Gu, J.; O'Brien, T. A.; Loring, B.; Stone, D. A.; Collins, W.; Prabhat, M.; Liu, Y.; Johnson, J. N.; Paciorek, C. J.

    2015-12-01

    A typical climate science workflow often involves a combination of acquisition of data, modeling, simulation, analysis, visualization, publishing, and storage of results. Each of these tasks provide a myriad of challenges when running on a high performance computing environment such as Hopper or Edison at NERSC. Hurdles such as data transfer and management, job scheduling, parallel analysis routines, and publication require a lot of forethought and planning to ensure that proper quality control mechanisms are in place. These steps require effectively utilizing a combination of well tested and newly developed functionality to move data, perform analysis, apply statistical routines, and finally, serve results and tools to the greater scientific community. As part of the CAlibrated and Systematic Characterization, Attribution and Detection of Extremes (CASCADE) project we highlight a stack of tools our team utilizes and has developed to ensure that large scale simulation and analysis work are commonplace and provide operations that assist in everything from generation/procurement of data (HTAR/Globus) to automating publication of results to portals like the Earth Systems Grid Federation (ESGF), all while executing everything in between in a scalable environment in a task parallel way (MPI). We highlight the use and benefit of these tools by showing several climate science analysis use cases they have been applied to.

  2. Computationally efficient thermal-mechanical modelling of selective laser melting

    NARCIS (Netherlands)

    Yang, Y.; Ayas, C.; Brabazon, Dermot; Naher, Sumsun; Ul Ahad, Inam

    2017-01-01

    The Selective laser melting (SLM) is a powder based additive manufacturing (AM) method to produce high density metal parts with complex topology. However, part distortions and accompanying residual stresses deteriorates the mechanical reliability of SLM products. Modelling of the SLM process is

  3. Methods of Efficient Study Habits and Physics Learning

    Science.gov (United States)

    Zettili, Nouredine

    2010-02-01

    We want to discuss the methods of efficient study habits and how they can be used by students to help them improve learning physics. In particular, we deal with the most efficient techniques needed to help students improve their study skills. We focus on topics such as the skills of how to develop long term memory, how to improve concentration power, how to take class notes, how to prepare for and take exams, how to study scientific subjects such as physics. We argue that the students who conscientiously use the methods of efficient study habits achieve higher results than those students who do not; moreover, a student equipped with the proper study skills will spend much less time to learn a subject than a student who has no good study habits. The underlying issue here is not the quantity of time allocated to the study efforts by the students, but the efficiency and quality of actions so that the student can function at peak efficiency. These ideas were developed as part of Project IMPACTSEED (IMproving Physics And Chemistry Teaching in SEcondary Education), an outreach grant funded by the Alabama Commission on Higher Education. This project is motivated by a major pressing local need: A large number of high school physics teachers teach out of field. )

  4. An Augmented Fast Marching Method for Computing Skeletons and Centerlines

    NARCIS (Netherlands)

    Telea, Alexandru; Wijk, Jarke J. van

    2002-01-01

    We present a simple and robust method for computing skeletons for arbitrary planar objects and centerlines for 3D objects. We augment the Fast Marching Method (FMM) widely used in level set applications by computing the paramterized boundary location every pixel came from during the boundary

  5. Classical versus Computer Algebra Methods in Elementary Geometry

    Science.gov (United States)

    Pech, Pavel

    2005-01-01

    Computer algebra methods based on results of commutative algebra like Groebner bases of ideals and elimination of variables make it possible to solve complex, elementary and non elementary problems of geometry, which are difficult to solve using a classical approach. Computer algebra methods permit the proof of geometric theorems, automatic…

  6. Methods for teaching geometric modelling and computer graphics

    Energy Technology Data Exchange (ETDEWEB)

    Rotkov, S.I.; Faitel`son, Yu. Ts.

    1992-05-01

    This paper considers methods for teaching the methods and algorithms of geometric modelling and computer graphics to programmers, designers and users of CAD and computer-aided research systems. There is a bibliography that can be used to prepare lectures and practical classes. 37 refs., 1 tab.

  7. Cross-scale Efficient Tensor Contractions for Coupled Cluster Computations Through Multiple Programming Model Backends

    Energy Technology Data Exchange (ETDEWEB)

    Ibrahim, Khaled Z. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Epifanovsky, Evgeny [Q-Chem, Inc., Pleasanton, CA (United States); Williams, Samuel W. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Krylov, Anna I. [Univ. of Southern California, Los Angeles, CA (United States). Dept. of Chemistry

    2016-07-26

    Coupled-cluster methods provide highly accurate models of molecular structure by explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix-matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy efficient manner. We achieve up to 240 speedup compared with the best optimized shared memory implementation. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures, (Cray XC30&XC40, BlueGene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance. Nevertheless, we preserve a uni ed interface to both programming models to maintain the productivity of computational quantum chemists.

  8. 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...

  9. Computational Method for Atomistic-Continuum Homogenization

    National Research Council Canada - National Science Library

    Chung, Peter

    2002-01-01

    The homogenization method is used as a framework for developing a multiscale system of equations involving atoms at zero temperature at the small scale and continuum mechanics at the very large scale...

  10. Efficient Minimum-Phase Prefilter Computation Using Fast QL-Factorization

    DEFF Research Database (Denmark)

    Hansen, Morten; Christensen, Lars P.B.

    2009-01-01

    This paper presents a novel approach for computing both the minimum-phase filter and the associated all-pass filter in a computationally efficient way using the fast QL-factorization. A desirable property of this approach is that the complexity is independent on the size of the matrix which is QL...

  11. Energy-Efficient Abundant-Data Computing: The N3XT 1,000X

    OpenAIRE

    Aly Mohamed M. Sabry; Gao Mingyu; Hills Gage; Lee Chi-Shuen; Pinter Greg; Shulaker Max M.; Wu Tony F.; Asheghi Mehdi; Bokor Jeff; Franchetti Franz; Goodson Kenneth E.; Kozyrakis Christos; Markov Igor; Olukotun Kunle; Pileggi Larry

    2015-01-01

    Next generation information technologies will process unprecedented amounts of loosely structured data that overwhelm existing computing systems. N3XT improves the energy efficiency of abundant data applications 1000 fold by using new logic and memory technologies 3D integration with fine grained connectivity and new architectures for computation immersed in memory.

  12. Efficient modeling of chiral media using SCN-TLM method

    Directory of Open Access Journals (Sweden)

    Yaich M.I.

    2004-01-01

    Full Text Available An efficient approach allowing to include linear bi-isotropic chiral materials in time-domain transmission line matrix (TLM calculations by employing recursive evaluation of the convolution of the electric and magnetic fields and susceptibility functions is presented. The new technique consists to add both voltage and current sources in supplementary stubs of the symmetrical condensed node (SCN of the TLM method. In this article, the details and the complete description of this approach are given. A comparison of the obtained numerical results with those of the literature reflects its validity and efficiency.

  13. Method for determining efficiency in a liquid scintillation system

    International Nuclear Information System (INIS)

    Laney, B.H.

    1975-01-01

    This invention relates to a method of counting radioactive events in a liquid scintillation radiation detecting and counting apparatus by utilizing pulses generated by a photomultiplying means resulting from scintillations caused by radioactive events. A counting efficiency value is assigned to each pulse generated in the photomultiplying means according to the height of the pulse. The numerical inverse of each assigned counting efficiency value is determined and each numerical inverse is recorded as an actual number of radioactive events with each having a pulse height identical to that of the corresponding pulse generated in the photomultiplying means. (Patent Office Record)

  14. Method for Determining Optimal Residential Energy Efficiency Retrofit Packages

    Energy Technology Data Exchange (ETDEWEB)

    Polly, B.; Gestwick, M.; Bianchi, M.; Anderson, R.; Horowitz, S.; Christensen, C.; Judkoff, R.

    2011-04-01

    Businesses, government agencies, consumers, policy makers, and utilities currently have limited access to occupant-, building-, and location-specific recommendations for optimal energy retrofit packages, as defined by estimated costs and energy savings. This report describes an analysis method for determining optimal residential energy efficiency retrofit packages and, as an illustrative example, applies the analysis method to a 1960s-era home in eight U.S. cities covering a range of International Energy Conservation Code (IECC) climate regions. The method uses an optimization scheme that considers average energy use (determined from building energy simulations) and equivalent annual cost to recommend optimal retrofit packages specific to the building, occupants, and location. Energy savings and incremental costs are calculated relative to a minimum upgrade reference scenario, which accounts for efficiency upgrades that would occur in the absence of a retrofit because of equipment wear-out and replacement with current minimum standards.

  15. Generalized Truncated Methods for an Efficient Solution of Retrial Systems

    Directory of Open Access Journals (Sweden)

    Ma Jose Domenech-Benlloch

    2008-01-01

    Full Text Available We are concerned with the analytic solution of multiserver retrial queues including the impatience phenomenon. As there are not closed-form solutions to these systems, approximate methods are required. We propose two different generalized truncated methods to effectively solve this type of systems. The methods proposed are based on the homogenization of the state space beyond a given number of users in the retrial orbit. We compare the proposed methods with the most well-known methods appeared in the literature in a wide range of scenarios. We conclude that the proposed methods generally outperform previous proposals in terms of accuracy for the most common performance parameters used in retrial systems with a moderated growth in the computational cost.

  16. An efficient non-dominated sorting method for evolutionary algorithms.

    Science.gov (United States)

    Fang, Hongbing; Wang, Qian; Tu, Yi-Cheng; Horstemeyer, Mark F

    2008-01-01

    We present a new non-dominated sorting algorithm to generate the non-dominated fronts in multi-objective optimization with evolutionary algorithms, particularly the NSGA-II. The non-dominated sorting algorithm used by NSGA-II has a time complexity of O(MN(2)) in generating non-dominated fronts in one generation (iteration) for a population size N and M objective functions. Since generating non-dominated fronts takes the majority of total computational time (excluding the cost of fitness evaluations) of NSGA-II, making this algorithm faster will significantly improve the overall efficiency of NSGA-II and other genetic algorithms using non-dominated sorting. The new non-dominated sorting algorithm proposed in this study reduces the number of redundant comparisons existing in the algorithm of NSGA-II by recording the dominance information among solutions from their first comparisons. By utilizing a new data structure called the dominance tree and the divide-and-conquer mechanism, the new algorithm is faster than NSGA-II for different numbers of objective functions. Although the number of solution comparisons by the proposed algorithm is close to that of NSGA-II when the number of objectives becomes large, the total computational time shows that the proposed algorithm still has better efficiency because of the adoption of the dominance tree structure and the divide-and-conquer mechanism.

  17. Anytime Prediction: Efficient Ensemble Methods for Any Computational Budget

    Science.gov (United States)

    2014-01-21

    eliminate both classes [Sochman and Matas, 2005] exist. Many other variations on building and optimizing cascades exist [Saberian and Vasconcelos , 10 CHAPTER...International Conference on Machine Learning (ICML), 2013. M. J. Saberian and N. Vasconcelos . Boosting classifier cascades. In Proceedings of the 24th Annual

  18. Efficient generalized Golub-Kahan based methods for dynamic inverse problems

    Science.gov (United States)

    Chung, Julianne; Saibaba, Arvind K.; Brown, Matthew; Westman, Erik

    2018-02-01

    We consider efficient methods for computing solutions to and estimating uncertainties in dynamic inverse problems, where the parameters of interest may change during the measurement procedure. Compared to static inverse problems, incorporating prior information in both space and time in a Bayesian framework can become computationally intensive, in part, due to the large number of unknown parameters. In these problems, explicit computation of the square root and/or inverse of the prior covariance matrix is not possible, so we consider efficient, iterative, matrix-free methods based on the generalized Golub-Kahan bidiagonalization that allow automatic regularization parameter and variance estimation. We demonstrate that these methods for dynamic inversion can be more flexible than standard methods and develop efficient implementations that can exploit structure in the prior, as well as possible structure in the forward model. Numerical examples from photoacoustic tomography, space-time deblurring, and passive seismic tomography demonstrate the range of applicability and effectiveness of the described approaches. Specifically, in passive seismic tomography, we demonstrate our approach on both synthetic and real data. To demonstrate the scalability of our algorithm, we solve a dynamic inverse problem with approximately 43 000 measurements and 7.8 million unknowns in under 40 s on a standard desktop.

  19. The thermodynamic efficiency of computations made in cells across the range of life

    Science.gov (United States)

    Kempes, Christopher P.; Wolpert, David; Cohen, Zachary; Pérez-Mercader, Juan

    2017-11-01

    Biological organisms must perform computation as they grow, reproduce and evolve. Moreover, ever since Landauer's bound was proposed, it has been known that all computation has some thermodynamic cost-and that the same computation can be achieved with greater or smaller thermodynamic cost depending on how it is implemented. Accordingly an important issue concerning the evolution of life is assessing the thermodynamic efficiency of the computations performed by organisms. This issue is interesting both from the perspective of how close life has come to maximally efficient computation (presumably under the pressure of natural selection), and from the practical perspective of what efficiencies we might hope that engineered biological computers might achieve, especially in comparison with current computational systems. Here we show that the computational efficiency of translation, defined as free energy expended per amino acid operation, outperforms the best supercomputers by several orders of magnitude, and is only about an order of magnitude worse than the Landauer bound. However, this efficiency depends strongly on the size and architecture of the cell in question. In particular, we show that the useful efficiency of an amino acid operation, defined as the bulk energy per amino acid polymerization, decreases for increasing bacterial size and converges to the polymerization cost of the ribosome. This cost of the largest bacteria does not change in cells as we progress through the major evolutionary shifts to both single- and multicellular eukaryotes. However, the rates of total computation per unit mass are non-monotonic in bacteria with increasing cell size, and also change across different biological architectures, including the shift from unicellular to multicellular eukaryotes. This article is part of the themed issue 'Reconceptualizing the origins of life'.

  20. Efficient approach to compute melting properties fully from ab initio with application to Cu

    Science.gov (United States)

    Zhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg

    2017-12-01

    Applying thermodynamic integration within an ab initio-based free-energy approach is a state-of-the-art method to calculate melting points of materials. However, the high computational cost and the reliance on a good reference system for calculating the liquid free energy have so far hindered a general application. To overcome these challenges, we propose the two-optimized references thermodynamic integration using Langevin dynamics (TOR-TILD) method in this work by extending the two-stage upsampled thermodynamic integration using Langevin dynamics (TU-TILD) method, which has been originally developed to obtain anharmonic free energies of solids, to the calculation of liquid free energies. The core idea of TOR-TILD is to fit two empirical potentials to the energies from density functional theory based molecular dynamics runs for the solid and the liquid phase and to use these potentials as reference systems for thermodynamic integration. Because the empirical potentials closely reproduce the ab initio system in the relevant part of the phase space the convergence of the thermodynamic integration is very rapid. Therefore, the proposed approach improves significantly the computational efficiency while preserving the required accuracy. As a test case, we apply TOR-TILD to fcc Cu computing not only the melting point but various other melting properties, such as the entropy and enthalpy of fusion and the volume change upon melting. The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional and the local-density approximation (LDA) are used. Using both functionals gives a reliable ab initio confidence interval for the melting point, the enthalpy of fusion, and entropy of fusion.

  1. Efficient conjugate gradient algorithms for computation of the manipulator forward dynamics

    Science.gov (United States)

    Fijany, Amir; Scheid, Robert E.

    1989-01-01

    The applicability of conjugate gradient algorithms for computation of the manipulator forward dynamics is investigated. The redundancies in the previously proposed conjugate gradient algorithm are analyzed. A new version is developed which, by avoiding these redundancies, achieves a significantly greater efficiency. A preconditioned conjugate gradient algorithm is also presented. A diagonal matrix whose elements are the diagonal elements of the inertia matrix is proposed as the preconditioner. In order to increase the computational efficiency, an algorithm is developed which exploits the synergism between the computation of the diagonal elements of the inertia matrix and that required by the conjugate gradient algorithm.

  2. Efficient 3D Volume Reconstruction from a Point Cloud Using a Phase-Field Method

    Directory of Open Access Journals (Sweden)

    Darae Jeong

    2018-01-01

    Full Text Available We propose an explicit hybrid numerical method for the efficient 3D volume reconstruction from unorganized point clouds using a phase-field method. The proposed three-dimensional volume reconstruction algorithm is based on the 3D binary image segmentation method. First, we define a narrow band domain embedding the unorganized point cloud and an edge indicating function. Second, we define a good initial phase-field function which speeds up the computation significantly. Third, we use a recently developed explicit hybrid numerical method for solving the three-dimensional image segmentation model to obtain efficient volume reconstruction from point cloud data. In order to demonstrate the practical applicability of the proposed method, we perform various numerical experiments.

  3. A chain-of-states acceleration method for the efficient location of minimum energy paths

    International Nuclear Information System (INIS)

    Hernández, E. R.; Herrero, C. P.; Soler, J. M.

    2015-01-01

    We describe a robust and efficient chain-of-states method for computing Minimum Energy Paths (MEPs) associated to barrier-crossing events in poly-atomic systems, which we call the acceleration method. The path is parametrized in terms of a continuous variable t ∈ [0, 1] that plays the role of time. In contrast to previous chain-of-states algorithms such as the nudged elastic band or string methods, where the positions of the states in the chain are taken as variational parameters in the search for the MEP, our strategy is to formulate the problem in terms of the second derivatives of the coordinates with respect to t, i.e., the state accelerations. We show this to result in a very simple and efficient method for determining the MEP. We describe the application of the method to a series of test cases, including two low-dimensional problems and the Stone-Wales transformation in C 60

  4. Instrument design optimization with computational methods

    Energy Technology Data Exchange (ETDEWEB)

    Moore, Michael H. [Old Dominion Univ., Norfolk, VA (United States)

    2017-08-01

    Using Finite Element Analysis to approximate the solution of differential equations, two different instruments in experimental Hall C at the Thomas Jefferson National Accelerator Facility are analyzed. The time dependence of density uctuations from the liquid hydrogen (LH2) target used in the Qweak experiment (2011-2012) are studied with Computational Fluid Dynamics (CFD) and the simulation results compared to data from the experiment. The 2.5 kW liquid hydrogen target was the highest power LH2 target in the world and the first to be designed with CFD at Jefferson Lab. The first complete magnetic field simulation of the Super High Momentum Spectrometer (SHMS) is presented with a focus on primary electron beam deflection downstream of the target. The SHMS consists of a superconducting horizontal bending magnet (HB) and three superconducting quadrupole magnets. The HB allows particles scattered at an angle of 5:5 deg to the beam line to be steered into the quadrupole magnets which make up the optics of the spectrometer. Without mitigation, remnant fields from the SHMS may steer the unscattered beam outside of the acceptable envelope on the beam dump and limit beam operations at small scattering angles. A solution is proposed using optimal placement of a minimal amount of shielding iron around the beam line.

  5. Computer methods in physics 250 problems with guided solutions

    CERN Document Server

    Landau, Rubin H

    2018-01-01

    Our future scientists and professionals must be conversant in computational techniques. In order to facilitate integration of computer methods into existing physics courses, this textbook offers a large number of worked examples and problems with fully guided solutions in Python as well as other languages (Mathematica, Java, C, Fortran, and Maple). It’s also intended as a self-study guide for learning how to use computer methods in physics. The authors include an introductory chapter on numerical tools and indication of computational and physics difficulty level for each problem.

  6. Quantification of ventilated facade efficiency by using computational fluid mechanics techniques

    International Nuclear Information System (INIS)

    Mora Perez, M.; Lopez Patino, G.; Bengochea Escribano, M. A.; Lopez Jimenez, P. A.

    2011-01-01

    In some countries, summer over-heating is a big problem in a buildings energy balance. Ventilated facades are a useful tool when applied to building design, especially in bio climatic building design. A ventilated facade is a complex, multi-layer structural solution that enables dry installation of the covering elements. The objective of this paper is to quantify the efficiency improvement in the building thermal when this sort of facade is installed. These improvements are due to convection produced in the air gap of the facade. This convection depends on the air movement inside the gap and the heat transmission in this motion. These quantities are mathematically modelled by Computational Fluid Dynamics (CFD) techniques using a commercial code: STAR CCM+. The proposed method allows an assessment of the energy potential of the ventilated facade and its capacity for cooling. (Author) 23 refs.

  7. An efficient method for facial component detection in thermal images

    Science.gov (United States)

    Paul, Michael; Blanik, Nikolai; Blazek, Vladimir; Leonhardt, Steffen

    2015-04-01

    A method to detect certain regions in thermal images of human faces is presented. In this approach, the following steps are necessary to locate the periorbital and the nose regions: First, the face is segmented from the background by thresholding and morphological filtering. Subsequently, a search region within the face, around its center of mass, is evaluated. Automatically computed temperature thresholds are used per subject and image or image sequence to generate binary images, in which the periorbital regions are located by integral projections. Then, the located positions are used to approximate the nose position. It is possible to track features in the located regions. Therefore, these regions are interesting for different applications like human-machine interaction, biometrics and biomedical imaging. The method is easy to implement and does not rely on any training images or templates. Furthermore, the approach saves processing resources due to simple computations and restricted search regions.

  8. Electromagnetic computation methods for lightning surge protection studies

    CERN Document Server

    Baba, Yoshihiro

    2016-01-01

    This book is the first to consolidate current research and to examine the theories of electromagnetic computation methods in relation to lightning surge protection. The authors introduce and compare existing electromagnetic computation methods such as the method of moments (MOM), the partial element equivalent circuit (PEEC), the finite element method (FEM), the transmission-line modeling (TLM) method, and the finite-difference time-domain (FDTD) method. The application of FDTD method to lightning protection studies is a topic that has matured through many practical applications in the past decade, and the authors explain the derivation of Maxwell's equations required by the FDTD, and modeling of various electrical components needed in computing lightning electromagnetic fields and surges with the FDTD method. The book describes the application of FDTD method to current and emerging problems of lightning surge protection of continuously more complex installations, particularly in critical infrastructures of e...

  9. Computational model for a high temperature electrolyzer coupled to a HTTR for efficient nuclear hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Daniel; Rojas, Leorlen; Rosales, Jesus; Castro, Landy; Gamez, Abel; Brayner, Carlos, E-mail: danielgonro@gmail.com [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil); Garcia, Lazaro; Garcia, Carlos; Torre, Raciel de la, E-mail: lgarcia@instec.cu [Instituto Superior de Tecnologias y Ciencias Aplicadas (InSTEC), La Habana (Cuba); Sanchez, Danny [Universidade Estadual de Santa Cruz (UESC), Ilheus, BA (Brazil)

    2015-07-01

    High temperature electrolysis process coupled to a very high temperature reactor (VHTR) is one of the most promising methods for hydrogen production using a nuclear reactor as the primary heat source. However there are not references in the scientific publications of a test facility that allow to evaluate the efficiency of the process and other physical parameters that has to be taken into consideration for its accurate application in the hydrogen economy as a massive production method. For this lack of experimental facilities, mathematical models are one of the most used tools to study this process and theirs flowsheets, in which the electrolyzer is the most important component because of its complexity and importance in the process. A computational fluid dynamic (CFD) model for the evaluation and optimization of the electrolyzer of a high temperature electrolysis hydrogen production process flowsheet was developed using ANSYS FLUENT®. Electrolyzer's operational and design parameters will be optimized in order to obtain the maximum hydrogen production and the higher efficiency in the module. This optimized model of the electrolyzer will be incorporated to a chemical process simulation (CPS) code to study the overall high temperature flowsheet coupled to a high temperature accelerator driven system (ADS) that offers advantages in the transmutation of the spent fuel. (author)

  10. Computational model for a high temperature electrolyzer coupled to a HTTR for efficient nuclear hydrogen production

    International Nuclear Information System (INIS)

    Gonzalez, Daniel; Rojas, Leorlen; Rosales, Jesus; Castro, Landy; Gamez, Abel; Brayner, Carlos; Garcia, Lazaro; Garcia, Carlos; Torre, Raciel de la; Sanchez, Danny

    2015-01-01

    High temperature electrolysis process coupled to a very high temperature reactor (VHTR) is one of the most promising methods for hydrogen production using a nuclear reactor as the primary heat source. However there are not references in the scientific publications of a test facility that allow to evaluate the efficiency of the process and other physical parameters that has to be taken into consideration for its accurate application in the hydrogen economy as a massive production method. For this lack of experimental facilities, mathematical models are one of the most used tools to study this process and theirs flowsheets, in which the electrolyzer is the most important component because of its complexity and importance in the process. A computational fluid dynamic (CFD) model for the evaluation and optimization of the electrolyzer of a high temperature electrolysis hydrogen production process flowsheet was developed using ANSYS FLUENT®. Electrolyzer's operational and design parameters will be optimized in order to obtain the maximum hydrogen production and the higher efficiency in the module. This optimized model of the electrolyzer will be incorporated to a chemical process simulation (CPS) code to study the overall high temperature flowsheet coupled to a high temperature accelerator driven system (ADS) that offers advantages in the transmutation of the spent fuel. (author)

  11. Three-dimensional protein structure prediction: Methods and computational strategies.

    Science.gov (United States)

    Dorn, Márcio; E Silva, Mariel Barbachan; Buriol, Luciana S; Lamb, Luis C

    2014-10-12

    A long standing problem in structural bioinformatics is to determine the three-dimensional (3-D) structure of a protein when only a sequence of amino acid residues is given. Many computational methodologies and algorithms have been proposed as a solution to the 3-D Protein Structure Prediction (3-D-PSP) problem. These methods can be divided in four main classes: (a) first principle methods without database information; (b) first principle methods with database information; (c) fold recognition and threading methods; and (d) comparative modeling methods and sequence alignment strategies. Deterministic computational techniques, optimization techniques, data mining and machine learning approaches are typically used in the construction of computational solutions for the PSP problem. Our main goal with this work is to review the methods and computational strategies that are currently used in 3-D protein prediction. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Efficient 3D frequency response modeling with spectral accuracy by the rapid expansion method

    KAUST Repository

    Chu, Chunlei

    2012-07-01

    Frequency responses of seismic wave propagation can be obtained either by directly solving the frequency domain wave equations or by transforming the time domain wavefields using the Fourier transform. The former approach requires solving systems of linear equations, which becomes progressively difficult to tackle for larger scale models and for higher frequency components. On the contrary, the latter approach can be efficiently implemented using explicit time integration methods in conjunction with running summations as the computation progresses. Commonly used explicit time integration methods correspond to the truncated Taylor series approximations that can cause significant errors for large time steps. The rapid expansion method (REM) uses the Chebyshev expansion and offers an optimal solution to the second-order-in-time wave equations. When applying the Fourier transform to the time domain wavefield solution computed by the REM, we can derive a frequency response modeling formula that has the same form as the original time domain REM equation but with different summation coefficients. In particular, the summation coefficients for the frequency response modeling formula corresponds to the Fourier transform of those for the time domain modeling equation. As a result, we can directly compute frequency responses from the Chebyshev expansion polynomials rather than the time domain wavefield snapshots as do other time domain frequency response modeling methods. When combined with the pseudospectral method in space, this new frequency response modeling method can produce spectrally accurate results with high efficiency. © 2012 Society of Exploration Geophysicists.

  13. Recovery Act - CAREER: Sustainable Silicon -- Energy-Efficient VLSI Interconnect for Extreme-Scale Computing

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Patrick [Oregon State Univ., Corvallis, OR (United States)

    2014-01-31

    The research goal of this CAREER proposal is to develop energy-efficient, VLSI interconnect circuits and systems that will facilitate future massively-parallel, high-performance computing. Extreme-scale computing will exhibit massive parallelism on multiple vertical levels, from thou­ sands of computational units on a single processor to thousands of processors in a single data center. Unfortunately, the energy required to communicate between these units at every level (on­ chip, off-chip, off-rack) will be the critical limitation to energy efficiency. Therefore, the PI's career goal is to become a leading researcher in the design of energy-efficient VLSI interconnect for future computing systems.

  14. Comparison of Five Computational Methods for Computing Q Factors in Photonic Crystal Membrane Cavities

    DEFF Research Database (Denmark)

    Novitsky, Andrey; de Lasson, Jakob Rosenkrantz; Frandsen, Lars Hagedorn

    2017-01-01

    Five state-of-the-art computational methods are benchmarked by computing quality factors and resonance wavelengths in photonic crystal membrane L5 and L9 line defect cavities. The convergence of the methods with respect to resolution, degrees of freedom and number of modes is investigated. Specia...

  15. Efficiency determination of whole-body counters by Monte Carlo method, using a microcomputer

    International Nuclear Information System (INIS)

    Fernandes Neto, J.M.

    1987-01-01

    A computing program using Monte Carlo method for calculate the whole efficiency of distributed radiation counters in human body is developed. A simulater of human proportions was used, of which was filled with a known and uniform solution containing a quantity of radioisopes. The 99m Tc, 131 I and 42 K were used in this experience, and theirs activities compared by a liquid scintillator. (C.G.C.) [pt

  16. QoE Power-Efficient Multimedia Delivery Method for LTE-A

    OpenAIRE

    Mushtaq, M. Sajid; Mellouk, Abdelhamid; Augustin, Brice; Fowler, Scott

    2016-01-01

    The fastest growing of multimedia services overfuture wireless communication system demand more networkresources, efficient delivery of multimedia service with highusers satisfaction, and power optimization of User Equipments(UEs). The resources and power optimization are significant infuture mobile computing systems, because emerging multimediaservices consume more resources and power. The 4G standard ofLTE-A wireless system has adopted the Discontinuous Reception(DRX) method to extend and o...

  17. Computational Methods for Physicists Compendium for Students

    CERN Document Server

    Sirca, Simon

    2012-01-01

    This book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays  significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds. Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a weekly basis in a one- or two-semester course. In these end-of-chapter problems the physics background is pronounced, and the main text preceding them is intended as an introduction or as a later reference. Less stress is given to the explanation of individual algorithms. It is tried to induce in the reader an own independent thinking and a certain amount of scepticism and scrutiny instead of blindly following readily available commercial tools.

  18. Computational Flow Field in Energy Efficient Engine (EEE)

    Science.gov (United States)

    Miki, Kenji; Moder, Jeff; Liou, Meng-Sing

    2016-01-01

    In this paper, preliminary results for the recently-updated Open National Combustion Code (Open NCC) as applied to the EEE are presented. The comparison between two different numerical schemes, the standard Jameson-Schmidt-Turkel (JST) scheme and the advection upstream splitting method (AUSM), is performed for the cold flow and the reacting flow calculations using the RANS. In the cold flow calculation, the AUSM scheme predicts a much stronger reverse flow in the central recirculation zone. In the reacting flow calculation, we test two cases: gaseous fuel injection and liquid spray injection. In the gaseous fuel injection case, the overall flame structures of the two schemes are similar to one another, in the sense that the flame is attached to the main nozzle, but is detached from the pilot nozzle. However, in the exit temperature profile, the AUSM scheme shows a more uniform profile than that of the JST scheme, which is close to the experimental data. In the liquid spray injection case, we expect different flame structures in this scenario. We will give a brief discussion on how two numerical schemes predict the flame structures inside the EEE using different ways to introduce the fuel injection.

  19. Measurement method of cardiac computed tomography (CT)

    International Nuclear Information System (INIS)

    Watanabe, Shigeru; Yamamoto, Hironori; Yumura, Yasuo; Yoshida, Hideo; Morooka, Nobuhiro

    1980-01-01

    The CT was carried out in 126 cases consisting of 31 normals, 17 cases of mitral stenosis (MS), 8 cases of mitral regurgitation (MR), 11 cases of aortic stenosis (AS), 9 cases of aortic regurgitation (AR), 20 cases of myocardial infarction (MI), 8 cases of atrial septal defect (ASD) and 22 hypertensives. The 20-second scans were performed every 1.5 cm from the 2nd intercostal space to the 5th or 6th intercostal space. The computed tomograms obtained were classified into 8 levels by cross-sectional anatomy; levels of (1) the aortic arch, (2) just beneath the aortic arch, (3) the pulmonary artery bifurcation, (4) the right atrial appendage or the upper right atrium, (5) the aortic root, (6) the upper left ventricle, (7) the mid left ventricle, and (8) the lower left ventricle. The diameter (anteroposterior and transverse) and cross-sectional area were measured about ascending aorta (Ao), descending aorta (AoD), superior vena cava (SVC), inferoir vena cava (IVC), pulmonary artery branch (PA), main pulmonary artery (mPA), left atrium (LA), right atrium (RA), and right ventricular outflow tract (RVOT) on each level where they were clearly distinguished. However, it was difficult to separate cardiac wall from cardiac cavity because there was little difference of X-ray attenuation coefficient between the myocardium and blood. Therefore, on mid ventricular level, diameter and area about total cardiac shadow were measured, and then cardiac ratios to the thorax were respectively calculated. The normal range of their values was shown in table, and abnormal characteristics in cardiac disease were exhibited in comparison with normal values. In MS, diameter and area in LA were significantly larger than normal. In MS and ASD, all the right cardiac system were larger than normal, especially, RA and SVC in MS, PA and RVOT in ASD. The diameter and area of the aortic root was larger in the order of AR, AS and HT than normal. (author)

  20. Global Seabed Materials and Habitats Mapped: The Computational Methods

    Science.gov (United States)

    Jenkins, C. J.

    2016-02-01

    What the seabed is made of has proven difficult to map on the scale of whole ocean-basins. Direct sampling and observation can be augmented with proxy-parameter methods such as acoustics. Both avenues are essential to obtain enough detail and coverage, and also to validate the mapping methods. We focus on the direct observations such as samplings, photo and video, probes, diver and sub reports, and surveyed features. These are often in word-descriptive form: over 85% of the records for site materials are in this form, whether as sample/view descriptions or classifications, or described parameters such as consolidation, color, odor, structures and components. Descriptions are absolutely necessary for unusual materials and for processes - in other words, for research. This project dbSEABED not only has the largest collection of seafloor materials data worldwide, but it uses advanced computing math to obtain the best possible coverages and detail. Included in those techniques are linguistic text analysis (e.g., Natural Language Processing, NLP), fuzzy set theory (FST), and machine learning (ML, e.g., Random Forest). These techniques allow efficient and accurate import of huge datasets, thereby optimizing the data that exists. They merge quantitative and qualitative types of data for rich parameter sets, and extrapolate where the data are sparse for best map production. The dbSEABED data resources are now very widely used worldwide in oceanographic research, environmental management, the geosciences, engineering and survey.

  1. Effectivness of different teaching methods on ergonomics for 12-16 years old children working with computer

    OpenAIRE

    Jasionytė, Monika

    2016-01-01

    Effectivness of Different Teaching Methods on Ergonomics for 12-16 Years Old Children Working with Computer. Work author: Monika Jasionytė Work advisor: assistant Inga Raudonytė, Vilnius University faculty of Medicine Department of Rehabilitation, Physical and Sports Medicine. Main concept: ergonomics, children, methods. Work goal: figure out which teaching method is moust efficiant for 12-16 years old children, work with computer ergonomics Goals: 1. Figure out computer working place ergonom...

  2. Three numerical methods for the computation of the electrostatic energy

    International Nuclear Information System (INIS)

    Poenaru, D.N.; Galeriu, D.

    1975-01-01

    The FORTRAN programs for computation of the electrostatic energy of a body with axial symmetry by Lawrence, Hill-Wheeler and Beringer methods are presented in detail. The accuracy, time of computation and the required memory of these methods are tested at various deformations for two simple parametrisations: two overlapping identical spheres and a spheroid. On this basis the field of application of each method is recomended

  3. Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications

    CERN Document Server

    Vitos, L

    2007-01-01

    Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials. Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level th

  4. Evaluation of Test Method for Solar Collector Efficiency

    DEFF Research Database (Denmark)

    Fan, Jianhua; Shah, Louise Jivan; Furbo, Simon

    The test method of the standard EN12975-2 (European Committee for Standardization, 2004) is used by European test laboratories to determine the efficiency of solar collectors. In the test methods the mean solar collector fluid temperature in the solar collector, Tm is determined by the approximat...... and the sky temperature. Based on the investigations, recommendations for change of the test methods and test conditions are considered. The investigations are carried out within the NEGST (New Generation of Solar Thermal Systems) project financed by EU.......The test method of the standard EN12975-2 (European Committee for Standardization, 2004) is used by European test laboratories to determine the efficiency of solar collectors. In the test methods the mean solar collector fluid temperature in the solar collector, Tm is determined by the approximated...... equation where Tin is the inlet temperature to the collector and Tout is the outlet temperature from the collector. The specific heat of the solar collector fluid is in the test method as an approximation determined as a constant equal to the specific heat of the solar collector fluid at the temperature Tm...

  5. An efficient method for DNA extraction from Cladosporioid fungi.

    Science.gov (United States)

    Moslem, M A; Bahkali, A H; Abd-Elsalam, K A; Wit, P J G M

    2010-11-23

    We developed an efficient method for DNA extraction from Cladosporioid fungi, which are important fungal plant pathogens. The cell wall of Cladosporioid fungi is often melanized, which makes it difficult to extract DNA from their cells. In order to overcome this we grew these fungi for three days on agar plates and extracted DNA from mycelium mats after manual or electric homogenization. High-quality DNA was isolated, with an A(260)/A(280) ratio ranging between 1.6 and 2.0. Isolated genomic DNA was efficiently digested with restriction enzymes and produced distinct banding patterns on agarose gels for the different Cladosporium species. Clear DNA fragments from the isolated DNA were amplified by PCR using small and large subunit rDNA primers, demonstrating that this method provides DNA of sufficiently high quality for molecular analyses.

  6. AN ENHANCED METHOD FOREXTENDING COMPUTATION AND RESOURCES BY MINIMIZING SERVICE DELAY IN EDGE CLOUD COMPUTING

    OpenAIRE

    B.Bavishna*1, Mrs.M.Agalya2 & Dr.G.Kavitha3

    2018-01-01

    A lot of research has been done in the field of cloud computing in computing domain. For its effective performance, variety of algorithms has been proposed. The role of virtualization is significant and its performance is dependent on VM Migration and allocation. More of the energy is absorbed in cloud; therefore, the utilization of numerous algorithms is required for saving energy and efficiency enhancement in the proposed work. In the proposed work, green algorithm has been considered with ...

  7. Reduced order methods for modeling and computational reduction

    CERN Document Server

    Rozza, Gianluigi

    2014-01-01

    This monograph addresses the state of the art of reduced order methods for modeling and computational reduction of complex parametrized systems, governed by ordinary and/or partial differential equations, with a special emphasis on real time computing techniques and applications in computational mechanics, bioengineering and computer graphics.  Several topics are covered, including: design, optimization, and control theory in real-time with applications in engineering; data assimilation, geometry registration, and parameter estimation with special attention to real-time computing in biomedical engineering and computational physics; real-time visualization of physics-based simulations in computer science; the treatment of high-dimensional problems in state space, physical space, or parameter space; the interactions between different model reduction and dimensionality reduction approaches; the development of general error estimation frameworks which take into account both model and discretization effects. This...

  8. Testing and Validation of Computational Methods for Mass Spectrometry.

    Science.gov (United States)

    Gatto, Laurent; Hansen, Kasper D; Hoopmann, Michael R; Hermjakob, Henning; Kohlbacher, Oliver; Beyer, Andreas

    2016-03-04

    High-throughput methods based on mass spectrometry (proteomics, metabolomics, lipidomics, etc.) produce a wealth of data that cannot be analyzed without computational methods. The impact of the choice of method on the overall result of a biological study is often underappreciated, but different methods can result in very different biological findings. It is thus essential to evaluate and compare the correctness and relative performance of computational methods. The volume of the data as well as the complexity of the algorithms render unbiased comparisons challenging. This paper discusses some problems and challenges in testing and validation of computational methods. We discuss the different types of data (simulated and experimental validation data) as well as different metrics to compare methods. We also introduce a new public repository for mass spectrometric reference data sets ( http://compms.org/RefData ) that contains a collection of publicly available data sets for performance evaluation for a wide range of different methods.

  9. Projected role of advanced computational aerodynamic methods at the Lockheed-Georgia company

    Science.gov (United States)

    Lores, M. E.

    1978-01-01

    Experience with advanced computational methods being used at the Lockheed-Georgia Company to aid in the evaluation and design of new and modified aircraft indicates that large and specialized computers will be needed to make advanced three-dimensional viscous aerodynamic computations practical. The Numerical Aerodynamic Simulation Facility should be used to provide a tool for designing better aerospace vehicles while at the same time reducing development costs by performing computations using Navier-Stokes equations solution algorithms and permitting less sophisticated but nevertheless complex calculations to be made efficiently. Configuration definition procedures and data output formats can probably best be defined in cooperation with industry, therefore, the computer should handle many remote terminals efficiently. The capability of transferring data to and from other computers needs to be provided. Because of the significant amount of input and output associated with 3-D viscous flow calculations and because of the exceedingly fast computation speed envisioned for the computer, special attention should be paid to providing rapid, diversified, and efficient input and output.

  10. Developing a multimodal biometric authentication system using soft computing methods.

    Science.gov (United States)

    Malcangi, Mario

    2015-01-01

    Robust personal authentication is becoming ever more important in computer-based applications. Among a variety of methods, biometric offers several advantages, mainly in embedded system applications. Hard and soft multi-biometric, combined with hard and soft computing methods, can be applied to improve the personal authentication process and to generalize the applicability. This chapter describes the embedded implementation of a multi-biometric (voiceprint and fingerprint) multimodal identification system based on hard computing methods (DSP) for feature extraction and matching, an artificial neural network (ANN) for soft feature pattern matching, and a fuzzy logic engine (FLE) for data fusion and decision.

  11. Computational Simulations and the Scientific Method

    Science.gov (United States)

    Kleb, Bil; Wood, Bill

    2005-01-01

    As scientific simulation software becomes more complicated, the scientific-software implementor's need for component tests from new model developers becomes more crucial. The community's ability to follow the basic premise of the Scientific Method requires independently repeatable experiments, and model innovators are in the best position to create these test fixtures. Scientific software developers also need to quickly judge the value of the new model, i.e., its cost-to-benefit ratio in terms of gains provided by the new model and implementation risks such as cost, time, and quality. This paper asks two questions. The first is whether other scientific software developers would find published component tests useful, and the second is whether model innovators think publishing test fixtures is a feasible approach.

  12. Computer systems and methods for visualizing data

    Science.gov (United States)

    Stolte, Chris; Hanrahan, Patrick

    2013-01-29

    A method for forming a visual plot using a hierarchical structure of a dataset. The dataset comprises a measure and a dimension. The dimension consists of a plurality of levels. The plurality of levels form a dimension hierarchy. The visual plot is constructed based on a specification. A first level from the plurality of levels is represented by a first component of the visual plot. A second level from the plurality of levels is represented by a second component of the visual plot. The dataset is queried to retrieve data in accordance with the specification. The data includes all or a portion of the dimension and all or a portion of the measure. The visual plot is populated with the retrieved data in accordance with the specification.

  13. 77 FR 31756 - Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating...

    Science.gov (United States)

    2012-05-30

    ...-AC46 Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating... regulations authorizing the use of alternative methods of determining energy efficiency or energy consumption... alternative methods of determining energy efficiency or energy consumption of various consumer products and...

  14. "System evaluates system": method for evaluating the efficiency of IS

    Directory of Open Access Journals (Sweden)

    Dita Blazkova

    2016-10-01

    Full Text Available In paper I deal with the possible solution of evaluating the efficiency of information systems in companies. The large number of existing methods used to address the efficiency of information systems is dependent on the subjective responses of the user that may distort output evaluation. Therefore, I propose a method that eliminates the subjective opinion of a user as the primary data source. Applications, which I suggests as part of the method, collects relevant data. In this paper I describe the application in detail. This is a follow-on program on any system that runs parallel with it. The program automatically collects data for evaluation. Data include mainly time data, positions the mouse cursor, printScreens, i-grams of previous, etc. I propose a method of evaluation of the data, which identifies the degree of the friendliness of the information system to the user. Thus, the output of the method is the conclusion whether users, who work with the information system, can handle effectively work with it.

  15. A robust and efficient stepwise regression method for building sparse polynomial chaos expansions

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Simon, E-mail: Simon.Abraham@ulb.ac.be [Vrije Universiteit Brussel (VUB), Department of Mechanical Engineering, Research Group Fluid Mechanics and Thermodynamics, Pleinlaan 2, 1050 Brussels (Belgium); Raisee, Mehrdad [School of Mechanical Engineering, College of Engineering, University of Tehran, P.O. Box: 11155-4563, Tehran (Iran, Islamic Republic of); Ghorbaniasl, Ghader; Contino, Francesco; Lacor, Chris [Vrije Universiteit Brussel (VUB), Department of Mechanical Engineering, Research Group Fluid Mechanics and Thermodynamics, Pleinlaan 2, 1050 Brussels (Belgium)

    2017-03-01

    Polynomial Chaos (PC) expansions are widely used in various engineering fields for quantifying uncertainties arising from uncertain parameters. The computational cost of classical PC solution schemes is unaffordable as the number of deterministic simulations to be calculated grows dramatically with the number of stochastic dimension. This considerably restricts the practical use of PC at the industrial level. A common approach to address such problems is to make use of sparse PC expansions. This paper presents a non-intrusive regression-based method for building sparse PC expansions. The most important PC contributions are detected sequentially through an automatic search procedure. The variable selection criterion is based on efficient tools relevant to probabilistic method. Two benchmark analytical functions are used to validate the proposed algorithm. The computational efficiency of the method is then illustrated by a more realistic CFD application, consisting of the non-deterministic flow around a transonic airfoil subject to geometrical uncertainties. To assess the performance of the developed methodology, a detailed comparison is made with the well established LAR-based selection technique. The results show that the developed sparse regression technique is able to identify the most significant PC contributions describing the problem. Moreover, the most important stochastic features are captured at a reduced computational cost compared to the LAR method. The results also demonstrate the superior robustness of the method by repeating the analyses using random experimental designs.

  16. A Generalized Method for the Comparable and Rigorous Calculation of the Polytropic Efficiencies of Turbocompressors

    Science.gov (United States)

    Dimitrakopoulos, Panagiotis

    2018-03-01

    The calculation of polytropic efficiencies is a very important task, especially during the development of new compression units, like compressor impellers, stages and stage groups. Such calculations are also crucial for the determination of the performance of a whole compressor. As processors and computational capacities have substantially been improved in the last years, the need for a new, rigorous, robust, accurate and at the same time standardized method merged, regarding the computation of the polytropic efficiencies, especially based on thermodynamics of real gases. The proposed method is based on the rigorous definition of the polytropic efficiency. The input consists of pressure and temperature values at the end points of the compression path (suction and discharge), for a given working fluid. The average relative error for the studied cases was 0.536 %. Thus, this high-accuracy method is proposed for efficiency calculations related with turbocompressors and their compression units, especially when they are operating at high power levels, for example in jet engines and high-power plants.

  17. Analysis of efficient preconditioned defect correction methods for nonlinear water waves

    DEFF Research Database (Denmark)

    Engsig-Karup, Allan Peter

    2014-01-01

    Robust computational procedures for the solution of non-hydrostatic, free surface, irrotational and inviscid free-surface water waves in three space dimensions can be based on iterative preconditioned defect correction (PDC) methods. Such methods can be made efficient and scalable to enable...... prediction of free-surface wave transformation and accurate wave kinematics in both deep and shallow waters in large marine areas or for predicting the outcome of experiments in large numerical wave tanks. We revisit the classical governing equations are fully nonlinear and dispersive potential flow...... equations. We present new detailed fundamental analysis using finite-amplitude wave solutions for iterative solvers. We demonstrate that the PDC method in combination with a high-order discretization method enables efficient and scalable solution of the linear system of equations arising in potential flow...

  18. An efficient motion-resistant method for wearable pulse oximeter.

    Science.gov (United States)

    Yan, Yong-Sheng; Zhang, Yuan-Ting

    2008-05-01

    Reduction of motion artifact and power saving are crucial in designing a wearable pulse oximeter for long-term telemedicine application. In this paper, a novel algorithm, minimum correlation discrete saturation transform (MCDST) has been developed for the estimation of arterial oxygen saturation (SaO2), based on an optical model derived from photon diffusion analysis. The simulation shows that the new algorithm MCDST is more robust under low SNRs than the clinically verified motion-resistant algorithm discrete saturation transform (DST). Further, the experiment with different severity of motions demonstrates that MCDST has a slightly better performance than DST algorithm. Moreover, MCDST is more computationally efficient than DST because the former uses linear algebra instead of the time-consuming adaptive filter used by latter, which indicates that MCDST can reduce the required power consumption and circuit complexity of the implementation. This is vital for wearable devices, where the physical size and long battery life are crucial.

  19. Efficient data retrieval method for similar plasma waveforms in EAST

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ying, E-mail: liuying-ipp@szu.edu.cn [SZU-CASIPP Joint Laboratory for Applied Plasma, Shenzhen University, Shenzhen 518060 (China); Huang, Jianjun; Zhou, Huasheng; Wang, Fan [SZU-CASIPP Joint Laboratory for Applied Plasma, Shenzhen University, Shenzhen 518060 (China); Wang, Feng [Institute of Plasma Physics Chinese Academy of Sciences, Hefei 230031 (China)

    2016-11-15

    Highlights: • The proposed method is carried out by means of bounding envelope and angle distance. • It allows retrieving for whole similar waveforms of any time length. • In addition, the proposed method is also possible to retrieve subsequences. - Abstract: Fusion research relies highly on data analysis due to its massive-sized database. In the present work, we propose an efficient method for searching and retrieving similar plasma waveforms in Experimental Advanced Superconducting Tokamak (EAST). Based on Piecewise Linear Aggregate Approximation (PLAA) for extracting feature values, the searching process is accomplished in two steps. The first one is coarse searching to narrow down the search space, which is carried out by means of bounding envelope. The second step is fine searching to retrieval similar waveforms, which is implemented by the angle distance. The proposed method is tested in EAST databases and turns out to have good performance in retrieving similar waveforms.

  20. Control rod computer code IAMCOS: general theory and numerical methods

    International Nuclear Information System (INIS)

    West, G.

    1982-11-01

    IAMCOS is a computer code for the description of mechanical and thermal behavior of cylindrical control rods for fast breeders. This code version was applied, tested and modified from 1979 to 1981. In this report are described the basic model (02 version), theoretical definitions and computation methods [fr