Hong, Xia
2006-07-01
In this letter, a Box-Cox transformation-based radial basis function (RBF) neural network is introduced using the RBF neural network to represent the transformed system output. Initially a fixed and moderate sized RBF model base is derived based on a rank revealing orthogonal matrix triangularization (QR decomposition). Then a new fast identification algorithm is introduced using Gauss-Newton algorithm to derive the required Box-Cox transformation, based on a maximum likelihood estimator. The main contribution of this letter is to explore the special structure of the proposed RBF neural network for computational efficiency by utilizing the inverse of matrix block decomposition lemma. Finally, the Box-Cox transformation-based RBF neural network, with good generalization and sparsity, is identified based on the derived optimal Box-Cox transformation and a D-optimality-based orthogonal forward regression algorithm. The proposed algorithm and its efficacy are demonstrated with an illustrative example in comparison with support vector machine regression.
Directory of Open Access Journals (Sweden)
Huaiqing Zhang
2014-01-01
Full Text Available The spectral leakage has a harmful effect on the accuracy of harmonic analysis for asynchronous sampling. This paper proposed a time quasi-synchronous sampling algorithm which is based on radial basis function (RBF interpolation. Firstly, a fundamental period is evaluated by a zero-crossing technique with fourth-order Newton’s interpolation, and then, the sampling sequence is reproduced by the RBF interpolation. Finally, the harmonic parameters can be calculated by FFT on the synchronization of sampling data. Simulation results showed that the proposed algorithm has high accuracy in measuring distorted and noisy signals. Compared to the local approximation schemes as linear, quadric, and fourth-order Newton interpolations, the RBF is a global approximation method which can acquire more accurate results while the time-consuming is about the same as Newton’s.
Comparing the Robustness of Evolutionary Algorithms on the Basis of Benchmark Functions
Directory of Open Access Journals (Sweden)
DENIZ ULKER, E.
2013-05-01
Full Text Available In real-world optimization problems, even though the solution quality is of great importance, the robustness of the solution is also an important aspect. This paper investigates how the optimization algorithms are sensitive to the variations of control parameters and to the random initialization of the solution set for fixed control parameters. The comparison is performed of three well-known evolutionary algorithms which are Particle Swarm Optimization (PSO algorithm, Differential Evolution (DE algorithm and the Harmony Search (HS algorithm. Various benchmark functions with different characteristics are used for the evaluation of these algorithms. The experimental results show that the solution quality of the algorithms is not directly related to their robustness. In particular, the algorithm that is highly robust can have a low solution quality, or the algorithm that has a high quality of solution can be quite sensitive to the parameter variations.
Automatic Curve Fitting Based on Radial Basis Functions and a Hierarchical Genetic Algorithm
Directory of Open Access Journals (Sweden)
G. Trejo-Caballero
2015-01-01
Full Text Available Curve fitting is a very challenging problem that arises in a wide variety of scientific and engineering applications. Given a set of data points, possibly noisy, the goal is to build a compact representation of the curve that corresponds to the best estimate of the unknown underlying relationship between two variables. Despite the large number of methods available to tackle this problem, it remains challenging and elusive. In this paper, a new method to tackle such problem using strictly a linear combination of radial basis functions (RBFs is proposed. To be more specific, we divide the parameter search space into linear and nonlinear parameter subspaces. We use a hierarchical genetic algorithm (HGA to minimize a model selection criterion, which allows us to automatically and simultaneously determine the nonlinear parameters and then, by the least-squares method through Singular Value Decomposition method, to compute the linear parameters. The method is fully automatic and does not require subjective parameters, for example, smooth factor or centre locations, to perform the solution. In order to validate the efficacy of our approach, we perform an experimental study with several tests on benchmarks smooth functions. A comparative analysis with two successful methods based on RBF networks has been included.
Directory of Open Access Journals (Sweden)
Eyad K Almaita
2017-03-01
Keywords: Energy efficiency, Power quality, Radial basis function, neural networks, adaptive, harmonic. Article History: Received Dec 15, 2016; Received in revised form Feb 2nd 2017; Accepted 13rd 2017; Available online How to Cite This Article: Almaita, E.K and Shawawreh J.Al (2017 Improving Stability and Convergence for Adaptive Radial Basis Function Neural Networks Algorithm (On-Line Harmonics Estimation Application. International Journal of Renewable Energy Develeopment, 6(1, 9-17. http://dx.doi.org/10.14710/ijred.6.1.9-17
THE ALGORITHM OF MESHFREE METHOD OF RADIAL BASIS FUNCTIONS IN TASKS OF UNDERGROUND HYDROMECHANICS
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N. V. Medvid
2016-01-01
Full Text Available A Mathematical model of filtering consolidation in the body of soil dam with conduit andwashout zone in two-dimensional case is considered. The impact of such technogenic factors as temperature, salt concentration, subsidence of upper boundary and interior points of the dam with time is taken into account. The software to automate the calculation of numerical solution of the boundary problem by radial basis functions has been created, which enables to conduct numerical experiments by varying the input parameters and shape. The influence of the presence of conduit and washout zone on the pressure, temperature and concentration of salts in the dam body at different time intervals isinvestigated. A number of numerical experiments is conducted and the analysis of dam accidents is performed.
Parallel Algorithms for Groebner-Basis Reduction
1987-09-25
22209 ELEMENT NO. NO. NO. ACCESSION NO. 11. TITLE (Include Security Classification) * PARALLEL ALGORITHMS FOR GROEBNER -BASIS REDUCTION 12. PERSONAL...All other editions are obsolete. Productivity Engineering in the UNIXt Environment p Parallel Algorithms for Groebner -Basis Reduction Technical Report
M4GB : Efficient Groebner Basis algorithm
R.H. Makarim (Rusydi); M.M.J. Stevens (Marc)
2017-01-01
textabstractWe introduce a new efficient algorithm for computing Groebner-bases named M4GB. Like Faugere's algorithm F4 it is an extension of Buchberger's algorithm that describes: how to store already computed (tail-)reduced multiples of basis polynomials to prevent redundant work in the reduction
Directory of Open Access Journals (Sweden)
Nan YU
2014-09-01
Full Text Available The interference signal in magneto-hydro-dynamics (MHD may be the disturbance from the power supply, the equipment itself, or the electromagnetic radiation. Interference signal mixed in normal signal, brings difficulties for signal analysis and processing. Recently proposed S-Transform algorithm combines advantages of short time Fourier transform and wavelet transform. It uses Fourier kernel and wavelet like Gauss window whose width is inversely proportional to the frequency. Therefore, S-Transform algorithm not only preserves the phase information of the signals but also has variable resolution like wavelet transform. This paper proposes a new method to establish a MHD signal classifier using S-transform algorithm and radial basis function neural network (RBFNN. Because RBFNN centers ascertained by k-means clustering algorithm probably are the local optimum, this paper analyzes the characteristics of k-means clustering algorithm and proposes an improved k-means clustering algorithm called GCW (Group-cluster-weight k-means clustering algorithm to improve the centers distribution. The experiment results show that the improvement greatly enhances the RBFNN performance.
The Matlab Radial Basis Function Toolbox
Directory of Open Access Journals (Sweden)
Scott A. Sarra
2017-03-01
Full Text Available Radial Basis Function (RBF methods are important tools for scattered data interpolation and for the solution of Partial Differential Equations in complexly shaped domains. The most straight forward approach used to evaluate the methods involves solving a linear system which is typically poorly conditioned. The Matlab Radial Basis Function toolbox features a regularization method for the ill-conditioned system, extended precision floating point arithmetic, and symmetry exploitation for the purpose of reducing flop counts of the associated numerical linear algebra algorithms.
Mixtures of truncated basis functions
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael
2012-01-01
In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar t...
Learning Methods for Radial Basis Functions Networks
Czech Academy of Sciences Publication Activity Database
Neruda, Roman; Kudová, Petra
2005-01-01
Roč. 21, - (2005), s. 1131-1142 ISSN 0167-739X R&D Projects: GA ČR GP201/03/P163; GA ČR GA201/02/0428 Institutional research plan: CEZ:AV0Z10300504 Keywords : radial basis function networks * hybrid supervised learning * genetic algorithms * benchmarking Subject RIV: BA - General Mathematics Impact factor: 0.555, year: 2005
Kaliman, Ilya A; Krylov, Anna I
2017-04-30
A new hardware-agnostic contraction algorithm for tensors of arbitrary symmetry and sparsity is presented. The algorithm is implemented as a stand-alone open-source code libxm. This code is also integrated with general tensor library libtensor and with the Q-Chem quantum-chemistry package. An overview of the algorithm, its implementation, and benchmarks are presented. Similarly to other tensor software, the algorithm exploits efficient matrix multiplication libraries and assumes that tensors are stored in a block-tensor form. The distinguishing features of the algorithm are: (i) efficient repackaging of the individual blocks into large matrices and back, which affords efficient graphics processing unit (GPU)-enabled calculations without modifications of higher-level codes; (ii) fully asynchronous data transfer between disk storage and fast memory. The algorithm enables canonical all-electron coupled-cluster and equation-of-motion coupled-cluster calculations with single and double substitutions (CCSD and EOM-CCSD) with over 1000 basis functions on a single quad-GPU machine. We show that the algorithm exhibits predicted theoretical scaling for canonical CCSD calculations, O(N 6 ), irrespective of the data size on disk. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Optimal choice of basis functions in the linear regression analysis
International Nuclear Information System (INIS)
Khotinskij, A.M.
1988-01-01
Problem of optimal choice of basis functions in the linear regression analysis is investigated. Step algorithm with estimation of its efficiency, which holds true at finite number of measurements, is suggested. Conditions, providing the probability of correct choice close to 1 are formulated. Application of the step algorithm to analysis of decay curves is substantiated. 8 refs
Elementary functions algorithms and implementation
Muller, Jean-Michel
2016-01-01
This textbook presents the concepts and tools necessary to understand, build, and implement algorithms for computing elementary functions (e.g., logarithms, exponentials, and the trigonometric functions). Both hardware- and software-oriented algorithms are included, along with issues related to accurate floating-point implementation. This third edition has been updated and expanded to incorporate the most recent advances in the field, new elementary function algorithms, and function software. After a preliminary chapter that briefly introduces some fundamental concepts of computer arithmetic, such as floating-point arithmetic and redundant number systems, the text is divided into three main parts. Part I considers the computation of elementary functions using algorithms based on polynomial or rational approximations and using table-based methods; the final chapter in this section deals with basic principles of multiple-precision arithmetic. Part II is devoted to a presentation of “shift-and-add” algorithm...
Algorithm for programming function generators
International Nuclear Information System (INIS)
Bozoki, E.
1981-01-01
The present paper deals with a mathematical problem, encountered when driving a fully programmable μ-processor controlled function generator. An algorithm is presented to approximate a desired function by a set of straight segments in such a way that additional restrictions (hardware imposed) are also satisfied. A computer program which incorporates this algorithm and automatically generates the necessary input for the function generator for a broad class of desired functions is also described
Functional Basis of Microorganism Classification.
Zhu, Chengsheng; Delmont, Tom O; Vogel, Timothy M; Bromberg, Yana
2015-08-01
Correctly identifying nearest "neighbors" of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned with
Functional Basis of Microorganism Classification
Zhu, Chengsheng; Delmont, Tom O.; Vogel, Timothy M.; Bromberg, Yana
2015-01-01
Correctly identifying nearest “neighbors” of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned
An algorithm for the basis of the finite Fourier transform
Santhanam, Thalanayar S.
1995-01-01
The Finite Fourier Transformation matrix (F.F.T.) plays a central role in the formulation of quantum mechanics in a finite dimensional space studied by the author over the past couple of decades. An outstanding problem which still remains open is to find a complete basis for F.F.T. In this paper we suggest a simple algorithm to find the eigenvectors of F.T.T.
Speech/Nonspeech Detection Using Minimal Walsh Basis Functions
Directory of Open Access Journals (Sweden)
Pwint Moe
2007-01-01
Full Text Available This paper presents a new method to detect speech/nonspeech components of a given noisy signal. Employing the combination of binary Walsh basis functions and an analysis-synthesis scheme, the original noisy speech signal is modified first. From the modified signals, the speech components are distinguished from the nonspeech components by using a simple decision scheme. Minimal number of Walsh basis functions to be applied is determined using singular value decomposition (SVD. The main advantages of the proposed method are low computational complexity, less parameters to be adjusted, and simple implementation. It is observed that the use of Walsh basis functions makes the proposed algorithm efficiently applicable in real-world situations where processing time is crucial. Simulation results indicate that the proposed algorithm achieves high-speech and nonspeech detection rates while maintaining a low error rate for different noisy conditions.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
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Khang Jie Liew
Full Text Available This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad
2016-01-01
This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Doubly stochastic radial basis function methods
Yang, Fenglian; Yan, Liang; Ling, Leevan
2018-06-01
We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).
The Algorithm Theoretical Basis Document for Tidal Corrections
Fricker, Helen A.; Ridgway, Jeff R.; Minster, Jean-Bernard; Yi, Donghui; Bentley, Charles R.`
2012-01-01
This Algorithm Theoretical Basis Document deals with the tidal corrections that need to be applied to range measurements made by the Geoscience Laser Altimeter System (GLAS). These corrections result from the action of ocean tides and Earth tides which lead to deviations from an equilibrium surface. Since the effect of tides is dependent of the time of measurement, it is necessary to remove the instantaneous tide components when processing altimeter data, so that all measurements are made to the equilibrium surface. The three main tide components to consider are the ocean tide, the solid-earth tide and the ocean loading tide. There are also long period ocean tides and the pole tide. The approximate magnitudes of these components are illustrated in Table 1, together with estimates of their uncertainties (i.e. the residual error after correction). All of these components are important for GLAS measurements over the ice sheets since centimeter-level accuracy for surface elevation change detection is required. The effect of each tidal component is to be removed by approximating their magnitude using tidal prediction models. Conversely, assimilation of GLAS measurements into tidal models will help to improve them, especially at high latitudes.
Diffusion Forecasting Model with Basis Functions from QR-Decomposition
Harlim, John; Yang, Haizhao
2017-12-01
The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.
Fast radial basis functions for engineering applications
Biancolini, Marco Evangelos
2017-01-01
This book presents the first “How To” guide to the use of radial basis functions (RBF). It provides a clear vision of their potential, an overview of ready-for-use computational tools and precise guidelines to implement new engineering applications of RBF. Radial basis functions (RBF) are a mathematical tool mature enough for useful engineering applications. Their mathematical foundation is well established and the tool has proven to be effective in many fields, as the mathematical framework can be adapted in several ways. A candidate application can be faced considering the features of RBF: multidimensional space (including 2D and 3D), numerous radial functions available, global and compact support, interpolation/regression. This great flexibility makes RBF attractive – and their great potential has only been partially discovered. This is because of the difficulty in taking a first step toward RBF as they are not commonly part of engineers’ cultural background, but also due to the numerical complex...
Neuronal spike sorting based on radial basis function neural networks
Directory of Open Access Journals (Sweden)
Taghavi Kani M
2011-02-01
Full Text Available "nBackground: Studying the behavior of a society of neurons, extracting the communication mechanisms of brain with other tissues, finding treatment for some nervous system diseases and designing neuroprosthetic devices, require an algorithm to sort neuralspikes automatically. However, sorting neural spikes is a challenging task because of the low signal to noise ratio (SNR of the spikes. The main purpose of this study was to design an automatic algorithm for classifying neuronal spikes that are emitted from a specific region of the nervous system."n "nMethods: The spike sorting process usually consists of three stages: detection, feature extraction and sorting. We initially used signal statistics to detect neural spikes. Then, we chose a limited number of typical spikes as features and finally used them to train a radial basis function (RBF neural network to sort the spikes. In most spike sorting devices, these signals are not linearly discriminative. In order to solve this problem, the aforesaid RBF neural network was used."n "nResults: After the learning process, our proposed algorithm classified any arbitrary spike. The obtained results showed that even though the proposed Radial Basis Spike Sorter (RBSS reached to the same error as the previous methods, however, the computational costs were much lower compared to other algorithms. Moreover, the competitive points of the proposed algorithm were its good speed and low computational complexity."n "nConclusion: Regarding the results of this study, the proposed algorithm seems to serve the purpose of procedures that require real-time processing and spike sorting.
Energy functions for regularization algorithms
Delingette, H.; Hebert, M.; Ikeuchi, K.
1991-01-01
Regularization techniques are widely used for inverse problem solving in computer vision such as surface reconstruction, edge detection, or optical flow estimation. Energy functions used for regularization algorithms measure how smooth a curve or surface is, and to render acceptable solutions these energies must verify certain properties such as invariance with Euclidean transformations or invariance with parameterization. The notion of smoothness energy is extended here to the notion of a differential stabilizer, and it is shown that to void the systematic underestimation of undercurvature for planar curve fitting, it is necessary that circles be the curves of maximum smoothness. A set of stabilizers is proposed that meet this condition as well as invariance with rotation and parameterization.
Spherical radial basis functions, theory and applications
Hubbert, Simon; Morton, Tanya M
2015-01-01
This book is the first to be devoted to the theory and applications of spherical (radial) basis functions (SBFs), which is rapidly emerging as one of the most promising techniques for solving problems where approximations are needed on the surface of a sphere. The aim of the book is to provide enough theoretical and practical details for the reader to be able to implement the SBF methods to solve real world problems. The authors stress the close connection between the theory of SBFs and that of the more well-known family of radial basis functions (RBFs), which are well-established tools for solving approximation theory problems on more general domains. The unique solvability of the SBF interpolation method for data fitting problems is established and an in-depth investigation of its accuracy is provided. Two chapters are devoted to partial differential equations (PDEs). One deals with the practical implementation of an SBF-based solution to an elliptic PDE and another which describes an SBF approach for solvi...
Bruni, S.; Llombart Juan, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A general algorithm for the analysis of microstrip coupled leaky wave slot antennas was discussed. The method was based on the construction of physically appealing entire domain Methods of Moments (MoM) basis function that allowed a consistent reduction of the number of unknowns and of total
Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis
Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg
2017-03-01
We present a low-complexity algorithm to calculate the correlation energy of periodic systems in second-order Møller-Plesset (MP2) perturbation theory. In contrast to previous approximation-free MP2 codes, our implementation possesses a quartic scaling, O ( N 4 ) , with respect to the system size N and offers an almost ideal parallelization efficiency. The general issue that the correlation energy converges slowly with the number of basis functions is eased by an internal basis set extrapolation. The key concept to reduce the scaling is to eliminate all summations over virtual orbitals which can be elegantly achieved in the Laplace transformed MP2 formulation using plane wave basis sets and fast Fourier transforms. Analogously, this approach could allow us to calculate second order screened exchange as well as particle-hole ladder diagrams with a similar low complexity. Hence, the presented method can be considered as a step towards systematically improved correlation energies.
Incorporating functional inter-relationships into protein function prediction algorithms
Directory of Open Access Journals (Sweden)
Kumar Vipin
2009-05-01
Full Text Available Abstract Background Functional classification schemes (e.g. the Gene Ontology that serve as the basis for annotation efforts in several organisms are often the source of gold standard information for computational efforts at supervised protein function prediction. While successful function prediction algorithms have been developed, few previous efforts have utilized more than the protein-to-functional class label information provided by such knowledge bases. For instance, the Gene Ontology not only captures protein annotations to a set of functional classes, but it also arranges these classes in a DAG-based hierarchy that captures rich inter-relationships between different classes. These inter-relationships present both opportunities, such as the potential for additional training examples for small classes from larger related classes, and challenges, such as a harder to learn distinction between similar GO terms, for standard classification-based approaches. Results We propose a method to enhance the performance of classification-based protein function prediction algorithms by addressing the issue of using these interrelationships between functional classes constituting functional classification schemes. Using a standard measure for evaluating the semantic similarity between nodes in an ontology, we quantify and incorporate these inter-relationships into the k-nearest neighbor classifier. We present experiments on several large genomic data sets, each of which is used for the modeling and prediction of over hundred classes from the GO Biological Process ontology. The results show that this incorporation produces more accurate predictions for a large number of the functional classes considered, and also that the classes benefitted most by this approach are those containing the fewest members. In addition, we show how our proposed framework can be used for integrating information from the entire GO hierarchy for improving the accuracy of
Quantum algorithms for testing Boolean functions
Directory of Open Access Journals (Sweden)
Erika Andersson
2010-06-01
Full Text Available We discuss quantum algorithms, based on the Bernstein-Vazirani algorithm, for finding which variables a Boolean function depends on. There are 2^n possible linear Boolean functions of n variables; given a linear Boolean function, the Bernstein-Vazirani quantum algorithm can deterministically identify which one of these Boolean functions we are given using just one single function query. The same quantum algorithm can also be used to learn which input variables other types of Boolean functions depend on, with a success probability that depends on the form of the Boolean function that is tested, but does not depend on the total number of input variables. We also outline a procedure to futher amplify the success probability, based on another quantum algorithm, the Grover search.
Critical function monitoring system algorithm development
International Nuclear Information System (INIS)
Harmon, D.L.
1984-01-01
Accurate critical function status information is a key to operator decision-making during events threatening nuclear power plant safety. The Critical Function Monitoring System provides continuous critical function status monitoring by use of algorithms which mathematically represent the processes by which an operating staff would determine critical function status. This paper discusses in detail the systematic design methodology employed to develop adequate Critical Function Monitoring System algorithms
The Algorithm Theoretical Basis Document for Level 1A Processing
Jester, Peggy L.; Hancock, David W., III
2012-01-01
The first process of the Geoscience Laser Altimeter System (GLAS) Science Algorithm Software converts the Level 0 data into the Level 1A Data Products. The Level 1A Data Products are the time ordered instrument data converted from counts to engineering units. This document defines the equations that convert the raw instrument data into engineering units. Required scale factors, bias values, and coefficients are defined in this document. Additionally, required quality assurance and browse products are defined in this document.
Lyapunov Function Synthesis - Algorithm and Software
DEFF Research Database (Denmark)
Leth, Tobias; Sloth, Christoffer; Wisniewski, Rafal
2016-01-01
In this paper we introduce an algorithm for the synthesis of polynomial Lyapunov functions for polynomial vector fields. The Lyapunov function is a continuous piecewisepolynomial defined on simplices, which compose a collection of simplices. The algorithm is elaborated and crucial features are ex...
FIREWORKS ALGORITHM FOR UNCONSTRAINED FUNCTION OPTIMIZATION PROBLEMS
Directory of Open Access Journals (Sweden)
Evans BAIDOO
2017-03-01
Full Text Available Modern real world science and engineering problems can be classified as multi-objective optimisation problems which demand for expedient and efficient stochastic algorithms to respond to the optimization needs. This paper presents an object-oriented software application that implements a firework optimization algorithm for function optimization problems. The algorithm, a kind of parallel diffuse optimization algorithm is based on the explosive phenomenon of fireworks. The algorithm presented promising results when compared to other population or iterative based meta-heuristic algorithm after it was experimented on five standard benchmark problems. The software application was implemented in Java with interactive interface which allow for easy modification and extended experimentation. Additionally, this paper validates the effect of runtime on the algorithm performance.
Recent advances in radial basis function collocation methods
Chen, Wen; Chen, C S
2014-01-01
This book surveys the latest advances in radial basis function (RBF) meshless collocation methods which emphasis on recent novel kernel RBFs and new numerical schemes for solving partial differential equations. The RBF collocation methods are inherently free of integration and mesh, and avoid tedious mesh generation involved in standard finite element and boundary element methods. This book focuses primarily on the numerical algorithms, engineering applications, and highlights a large class of novel boundary-type RBF meshless collocation methods. These methods have shown a clear edge over the traditional numerical techniques especially for problems involving infinite domain, moving boundary, thin-walled structures, and inverse problems. Due to the rapid development in RBF meshless collocation methods, there is a need to summarize all these new materials so that they are available to scientists, engineers, and graduate students who are interest to apply these newly developed methods for solving real world’s ...
Satisfiability of logic programming based on radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong
2014-01-01
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems
Satisfiability of logic programming based on radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems.
An algorithm to compute the canonical basis of an irreducible Uq(g)-module
de Graaf, W. A.
2002-01-01
An algorithm is described to compute the canonical basis of an irreducible module over a quantized enveloping algebra of a finite-dimensional semisimple Lie algebra. The algorithm works for modules that are constructed as a submodule of a tensor product of modules with known canonical bases.
Algorithm of Functional Musculoskeletal Disorders Diagnostics
Alexandra P. Eroshenko
2012-01-01
The article scientifically justifies the algorithm of complex diagnostics of functional musculoskeletal disorders during resort treatment, aimed at the optimal application of modern methods of physical rehabilitation (correction programs formation), based on diagnostic methodologies findings
Algorithm of Functional Musculoskeletal Disorders Diagnostics
Directory of Open Access Journals (Sweden)
Alexandra P. Eroshenko
2012-04-01
Full Text Available The article scientifically justifies the algorithm of complex diagnostics of functional musculoskeletal disorders during resort treatment, aimed at the optimal application of modern methods of physical rehabilitation (correction programs formation, based on diagnostic methodologies findings
A genetic basis for functional hypothalamic amenorrhea.
Caronia, L.M.; Martin, C.; Welt, C.K.; Sykiotis, G.P.; Quinton, R.; Thambundit, A.; Avbelj, M.; Dhruvakumar, S.; Plummer, L.; Hughes, V.A.; Seminara, S.B.; Boepple, P.A.; Sidis, Y.; Crowley, W.F.; Martin, K.A.
2011-01-01
Background: Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogon...
Generalization of Risch's algorithm to special functions
International Nuclear Information System (INIS)
Raab, Clemens G.
2013-05-01
Symbolic integration deals with the evaluation of integrals in closed form. We present an overview of Risch's algorithm including recent developments. The algorithms discussed are suited for both indefinite and definite integration. They can also be used to compute linear relations among integrals and to find identities for special functions given by parameter integrals. The aim of this presentation is twofold: to introduce the reader to some basic ideas of differential algebra in the context of integration and to raise awareness in the physics community of computer algebra algorithms for indefinite and definite integration.
Wavelets as basis functions in electronic structure calculations
International Nuclear Information System (INIS)
Chauvin, C.
2005-11-01
This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)
A Genetic Basis for Functional Hypothalamic Amenorrhea
Caronia, Lisa M.; Martin, Cecilia; Welt, Corrine K.; Sykiotis, Gerasimos P.; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A.; Seminara, Stephanie B.; Boepple, Paul A.; Sidis, Yisrael; Crowley, William F.; Martin, Kathryn A.; Hall, Janet E.; Pitteloud, Nelly
2011-01-01
BACKGROUND Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. METHODS We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. RESULTS Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kall-mann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. CONCLUSIONS Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.) PMID:21247312
A genetic basis for functional hypothalamic amenorrhea.
Caronia, Lisa M; Martin, Cecilia; Welt, Corrine K; Sykiotis, Gerasimos P; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A; Seminara, Stephanie B; Boepple, Paul A; Sidis, Yisrael; Crowley, William F; Martin, Kathryn A; Hall, Janet E; Pitteloud, Nelly
2011-01-20
Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kallmann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.).
MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions
Novosad, Philip; Reader, Andrew J.
2016-06-01
Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral
Using piecewise sinusoidal basis functions to blanket multiple wire segments
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available This paper discusses application of the piecewise sinusoidal (PWS) basis function (BF) over a chain of several wire segments, for example as a multiple domain basis function. The usage of PWS BF is compared to results based on the piecewise linear...
Seghouane, Abd-Krim; Iqbal, Asif
2017-09-01
Sequential dictionary learning algorithms have been successfully applied to functional magnetic resonance imaging (fMRI) data analysis. fMRI data sets are, however, structured data matrices with the notions of temporal smoothness in the column direction. This prior information, which can be converted into a constraint of smoothness on the learned dictionary atoms, has seldomly been included in classical dictionary learning algorithms when applied to fMRI data analysis. In this paper, we tackle this problem by proposing two new sequential dictionary learning algorithms dedicated to fMRI data analysis by accounting for this prior information. These algorithms differ from the existing ones in their dictionary update stage. The steps of this stage are derived as a variant of the power method for computing the SVD. The proposed algorithms generate regularized dictionary atoms via the solution of a left regularized rank-one matrix approximation problem where temporal smoothness is enforced via regularization through basis expansion and sparse basis expansion in the dictionary update stage. Applications on synthetic data experiments and real fMRI data sets illustrating the performance of the proposed algorithms are provided.
Machine learning of radial basis function neural network based on Kalman filter: Introduction
Directory of Open Access Journals (Sweden)
Vuković Najdan L.
2014-01-01
Full Text Available This paper analyzes machine learning of radial basis function neural network based on Kalman filtering. Three algorithms are derived: linearized Kalman filter, linearized information filter and unscented Kalman filter. We emphasize basic properties of these estimation algorithms, demonstrate how their advantages can be used for optimization of network parameters, derive mathematical models and show how they can be applied to model problems in engineering practice.
Algorithmic transformation of multi-loop master integrals to a canonical basis with CANONICA
Meyer, Christoph
2018-01-01
The integration of differential equations of Feynman integrals can be greatly facilitated by using a canonical basis. This paper presents the Mathematica package CANONICA, which implements a recently developed algorithm to automatize the transformation to a canonical basis. This represents the first publicly available implementation suitable for differential equations depending on multiple scales. In addition to the presentation of the package, this paper extends the description of some aspects of the algorithm, including a proof of the uniqueness of canonical forms up to constant transformations.
A branch and bound algorithm for the global optimization of Hessian Lipschitz continuous functions
Fowkes, Jaroslav M.
2012-06-21
We present a branch and bound algorithm for the global optimization of a twice differentiable nonconvex objective function with a Lipschitz continuous Hessian over a compact, convex set. The algorithm is based on applying cubic regularisation techniques to the objective function within an overlapping branch and bound algorithm for convex constrained global optimization. Unlike other branch and bound algorithms, lower bounds are obtained via nonconvex underestimators of the function. For a numerical example, we apply the proposed branch and bound algorithm to radial basis function approximations. © 2012 Springer Science+Business Media, LLC.
A CDMA multiuser detection algorithm on the basis of belief propagation
International Nuclear Information System (INIS)
Kabashima, Yoshiyuki
2003-01-01
An iterative algorithm for the multiuser detection problem that arises in code division multiple access (CDMA) systems is developed on the basis of Pearl's belief propagation (BP). We show that the BP-based algorithm exhibits nearly optimal performance in a practical time scale by utilizing the central limit theorem and self-averaging property appropriately, whereas direct application of BP to the detection problem is computationally difficult and far from practical. We further present close relationships of the proposed algorithm to the Thouless-Anderson-Palmer approach and replica analysis known in spin-glass research
Adaptive radial basis function mesh deformation using data reduction
Gillebaart, T.; Blom, D. S.; van Zuijlen, A. H.; Bijl, H.
2016-09-01
Radial Basis Function (RBF) mesh deformation is one of the most robust mesh deformation methods available. Using the greedy (data reduction) method in combination with an explicit boundary correction, results in an efficient method as shown in literature. However, to ensure the method remains robust, two issues are addressed: 1) how to ensure that the set of control points remains an accurate representation of the geometry in time and 2) how to use/automate the explicit boundary correction, while ensuring a high mesh quality. In this paper, we propose an adaptive RBF mesh deformation method, which ensures the set of control points always represents the geometry/displacement up to a certain (user-specified) criteria, by keeping track of the boundary error throughout the simulation and re-selecting when needed. Opposed to the unit displacement and prescribed displacement selection methods, the adaptive method is more robust, user-independent and efficient, for the cases considered. Secondly, the analysis of a single high aspect ratio cell is used to formulate an equation for the correction radius needed, depending on the characteristics of the correction function used, maximum aspect ratio, minimum first cell height and boundary error. Based on the analysis two new radial basis correction functions are derived and proposed. This proposed automated procedure is verified while varying the correction function, Reynolds number (and thus first cell height and aspect ratio) and boundary error. Finally, the parallel efficiency is studied for the two adaptive methods, unit displacement and prescribed displacement for both the CPU as well as the memory formulation with a 2D oscillating and translating airfoil with oscillating flap, a 3D flexible locally deforming tube and deforming wind turbine blade. Generally, the memory formulation requires less work (due to the large amount of work required for evaluating RBF's), but the parallel efficiency reduces due to the limited
Linear scaling of density functional algorithms
International Nuclear Information System (INIS)
Stechel, E.B.; Feibelman, P.J.; Williams, A.R.
1993-01-01
An efficient density functional algorithm (DFA) that scales linearly with system size will revolutionize electronic structure calculations. Density functional calculations are reliable and accurate in determining many condensed matter and molecular ground-state properties. However, because current DFA's, including methods related to that of Car and Parrinello, scale with the cube of the system size, density functional studies are not routinely applied to large systems. Linear scaling is achieved by constructing functions that are both localized and fully occupied, thereby eliminating the need to calculate global eigenfunctions. It is, however, widely believed that exponential localization requires the existence of an energy gap between the occupied and unoccupied states. Despite this, the authors demonstrate that linear scaling can still be achieved for metals. Using a linear scaling algorithm, they have explicitly constructed localized, almost fully occupied orbitals for the quintessential metallic system, jellium. The algorithm is readily generalizable to any system geometry and Hamiltonian. They will discuss the conceptual issues involved, convergence properties and scaling for their new algorithm
New Method for Mesh Moving Based on Radial Basis Function Interpolation
De Boer, A.; Van der Schoot, M.S.; Bijl, H.
2006-01-01
A new point-by-point mesh movement algorithm is developed for the deformation of unstructured grids. The method is based on using radial basis function, RBFs, to interpolate the displacements of the boundary nodes to the whole flow mesh. A small system of equations has to be solved, only involving
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available The paper introduces a method to cover several wire segments with a single basis function, describes related practical algorithms, and gives some results. The process involves three steps: identifying chains of wire segments, splitting the chains...
Radial basis function neural networks with sequential learning MRAN and its applications
Sundararajan, N; Wei Lu Ying
1999-01-01
This book presents in detail the newly developed sequential learning algorithm for radial basis function neural networks, which realizes a minimal network. This algorithm, created by the authors, is referred to as Minimal Resource Allocation Networks (MRAN). The book describes the application of MRAN in different areas, including pattern recognition, time series prediction, system identification, control, communication and signal processing. Benchmark problems from these areas have been studied, and MRAN is compared with other algorithms. In order to make the book self-contained, a review of t
Nonlinear System Identification via Basis Functions Based Time Domain Volterra Model
Directory of Open Access Journals (Sweden)
Yazid Edwar
2014-07-01
Full Text Available This paper proposes basis functions based time domain Volterra model for nonlinear system identification. The Volterra kernels are expanded by using complex exponential basis functions and estimated via genetic algorithm (GA. The accuracy and practicability of the proposed method are then assessed experimentally from a scaled 1:100 model of a prototype truss spar platform. Identification results in time and frequency domain are presented and coherent functions are performed to check the quality of the identification results. It is shown that results between experimental data and proposed method are in good agreement.
An algorithm for constructing Lyapunov functions
Directory of Open Access Journals (Sweden)
Sigurdur Freyr Hafstein
2007-08-01
Full Text Available In this monograph we develop an algorithm for constructing Lyapunov functions for arbitrary switched dynamical systems $dot{mathbf{x}} = mathbf{f}_sigma(t,mathbf{x}$, possessing a uniformly asymptotically stable equilibrium. Let $dot{mathbf{x}}=mathbf{f}_p(t,mathbf{x}$, $pinmathcal{P}$, be the collection of the ODEs, to which the switched system corresponds. The number of the vector fields $mathbf{f}_p$ on the right-hand side of the differential equation is assumed to be finite and we assume that their components $f_{p,i}$ are $mathcal{C}^2$ functions and that we can give some bounds, not necessarily close, on their second-order partial derivatives. The inputs of the algorithm are solely a finite number of the function values of the vector fields $mathbf{f}_p$ and these bounds. The domain of the Lyapunov function constructed by the algorithm is only limited by the size of the equilibrium's region of attraction. Note, that the concept of a Lyapunov function for the arbitrary switched system $dot{mathbf{x}} = mathbf{f}_sigma(t,mathbf{x}$ is equivalent to the concept of a common Lyapunov function for the systems $dot{mathbf{x}}=mathbf{f}_p(t,mathbf{x}$, $pinmathcal{P}$, and that if $mathcal{P}$ contains exactly one element, then the switched system is just a usual ODE $dot{mathbf{x}}=mathbf{f}(t,mathbf{x}$. We give numerous examples of Lyapunov functions constructed by our method at the end of this monograph.
Implementation of trigonometric function using CORDIC algorithms
Mokhtar, A. S. N.; Ayub, M. I.; Ismail, N.; Daud, N. G. Nik
2018-02-01
In 1959, Jack E. Volder presents a brand new formula to the real-time solution of the equation raised in navigation system. This new algorithm was the most beneficial replacement of analog navigation system by the digital. The CORDIC (Coordinate Rotation Digital Computer) algorithm are used for the rapid calculation associated with elementary operates like trigonometric function, multiplication, division and logarithm function, and also various conversions such as conversion of rectangular to polar coordinate including the conversion between binary coded information. In this current time CORDIC formula have many applications in the field of communication, signal processing, 3-D graphics, and others. This paper would be presents the trigonometric function implementation by using CORDIC algorithm in rotation mode for circular coordinate system. The CORDIC technique is used in order to generating the output angle between range 0o to 90o and error analysis is concern. The result showed that the average percentage error is about 0.042% at angles between ranges 00 to 900. But the average percentage error rose up to 45% at angle 90o and above. So, this method is very accurate at the 1st quadrant. The mirror properties method is used to find out an angle at 2nd, 3rd and 4th quadrant.
Exponential Convergence for Numerical Solution of Integral Equations Using Radial Basis Functions
Directory of Open Access Journals (Sweden)
Zakieh Avazzadeh
2014-01-01
Full Text Available We solve some different type of Urysohn integral equations by using the radial basis functions. These types include the linear and nonlinear Fredholm, Volterra, and mixed Volterra-Fredholm integral equations. Our main aim is to investigate the rate of convergence to solve these equations using the radial basis functions which have normic structure that utilize approximation in higher dimensions. Of course, the use of this method often leads to ill-posed systems. Thus we propose an algorithm to improve the results. Numerical results show that this method leads to the exponential convergence for solving integral equations as it was already confirmed for partial and ordinary differential equations.
Closed fringe demodulation using phase decomposition by Fourier basis functions.
Kulkarni, Rishikesh; Rastogi, Pramod
2016-06-01
We report a new technique for the demodulation of a closed fringe pattern by representing the phase as a weighted linear combination of a certain number of linearly independent Fourier basis functions in a given row/column at a time. A state space model is developed with the weights of the basis functions as the elements of the state vector. The iterative extended Kalman filter is effectively utilized for the robust estimation of the weights. A coarse estimate of the fringe density based on the fringe frequency map is used to determine the initial row/column to start with and subsequently the optimal number of basis functions. The performance of the proposed method is evaluated with several noisy fringe patterns. Experimental results are also reported to support the practical applicability of the proposed method.
Gaussian basis functions for highly oscillatory scattering wavefunctions
Mant, B. P.; Law, M. M.
2018-04-01
We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.
Modeling multivariate time series on manifolds with skew radial basis functions.
Jamshidi, Arta A; Kirby, Michael J
2011-01-01
We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.
A Hybrid Algorithm for Optimizing Multi- Modal Functions
Institute of Scientific and Technical Information of China (English)
Li Qinghua; Yang Shida; Ruan Youlin
2006-01-01
A new genetic algorithm is presented based on the musical performance. The novelty of this algorithm is that a new genetic algorithm, mimicking the musical process of searching for a perfect state of harmony, which increases the robustness of it greatly and gives a new meaning of it in the meantime, has been developed. Combining the advantages of the new genetic algorithm, simplex algorithm and tabu search, a hybrid algorithm is proposed. In order to verify the effectiveness of the hybrid algorithm, it is applied to solving some typical numerical function optimization problems which are poorly solved by traditional genetic algorithms. The experimental results show that the hybrid algorithm is fast and reliable.
Optimal Piecewise Linear Basis Functions in Two Dimensions
Energy Technology Data Exchange (ETDEWEB)
Brooks III, E D; Szoke, A
2009-01-26
We use a variational approach to optimize the center point coefficients associated with the piecewise linear basis functions introduced by Stone and Adams [1], for polygonal zones in two Cartesian dimensions. Our strategy provides optimal center point coefficients, as a function of the location of the center point, by minimizing the error induced when the basis function interpolation is used for the solution of the time independent diffusion equation within the polygonal zone. By using optimal center point coefficients, one expects to minimize the errors that occur when these basis functions are used to discretize diffusion equations, or transport equations in optically thick zones (where they approach the solution of the diffusion equation). Our optimal center point coefficients satisfy the requirements placed upon the basis functions for any location of the center point. We also find that the location of the center point can be optimized, but this requires numerical calculations. Curiously, the optimum center point location is independent of the values of the dependent variable on the corners only for quadrilaterals.
Radial basis function neural network in fault detection of automotive ...
African Journals Online (AJOL)
Radial basis function neural network in fault detection of automotive engines. ... Five faults have been simulated on the MVEM, including three sensor faults, one component fault and one actuator fault. The three sensor faults ... Keywords: Automotive engine, independent RBFNN model, RBF neural network, fault detection
Radial Basis Function Based Quadrature over Smooth Surfaces
2016-03-24
Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29
Large-Eddy Simulation Using Projection onto Local Basis Functions
Pope, S. B.
In the traditional approach to LES for inhomogeneous flows, the resolved fields are obtained by a filtering operation (with filter width Delta). The equations governing the resolved fields are then partial differential equations, which are solved numerically (on a grid of spacing h). For an LES computation of a given magnitude (i.e., given h), there are conflicting considerations in the choice of Delta: to resolve a large range of turbulent motions, Delta should be small; to solve the equations with numerical accuracy, Delta should be large. In the alternative approach advanced here, this conflict is avoided. The resolved fields are defined by projection onto local basis functions, so that the governing equations are ordinary differential equations for the evolution of the basis-function coefficients. There is no issue of numerical spatial discretization errors. A general methodology for modelling the effects of the residual motions is developed. The model is based directly on the basis-function coefficients, and its effect is to smooth the fields where their rates of change are not well resolved by the basis functions. Demonstration calculations are performed for Burgers' equation.
Higher-Order Hierarchical Legendre Basis Functions in Applications
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2007-01-01
The higher-order hierarchical Legendre basis functions have been developed for eﬀective solution of integral equations with the method of moments. They are derived from orthogonal Legendre polynomials modiﬁed to enforce normal continuity between neighboring mesh elements, while preserving a high...
Surface interpolation with radial basis functions for medical imaging
International Nuclear Information System (INIS)
Carr, J.C.; Beatson, R.K.; Fright, W.R.
1997-01-01
Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill
Quantum phase space with a basis of Wannier functions
Fang, Yuan; Wu, Fan; Wu, Biao
2018-02-01
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.
Institute of Scientific and Technical Information of China (English)
ZHENG Guangguo; ZHOU Dongsheng; WEI Xiaopeng; ZHANG Qiang
2012-01-01
Compactly supported radial basis function can enable the coefficient matrix of solving weigh linear system to have a sparse banded structure, thereby reducing the complexity of the algorithm. Firstly, based on the compactly supported radial basis function, the paper makes the complex quadratic function （Multiquadric, MQ for short） to be transformed and proposes a class of compactly supported MQ function. Secondly, the paper describes a method that interpolates discrete motion capture data to solve the motion vectors of the interpolation points and they are used in facial expression reconstruction. Finally, according to this characteris- tic of the uneven distribution of the face markers, the markers are numbered and grouped in accordance with the density level, and then be interpolated in line with each group. The approach not only ensures the accuracy of the deformation of face local area and smoothness, but also reduces the time complexity of computing.
Compactly Supported Basis Functions as Support Vector Kernels for Classification.
Wittek, Peter; Tan, Chew Lim
2011-10-01
Wavelet kernels have been introduced for both support vector regression and classification. Most of these wavelet kernels do not use the inner product of the embedding space, but use wavelets in a similar fashion to radial basis function kernels. Wavelet analysis is typically carried out on data with a temporal or spatial relation between consecutive data points. We argue that it is possible to order the features of a general data set so that consecutive features are statistically related to each other, thus enabling us to interpret the vector representation of an object as a series of equally or randomly spaced observations of a hypothetical continuous signal. By approximating the signal with compactly supported basis functions and employing the inner product of the embedding L2 space, we gain a new family of wavelet kernels. Empirical results show a clear advantage in favor of these kernels.
DESIGNING ALGORITHMS FOR SERVICE ROBOTS ON THE BASIS OF MIVAR APPROACH
Directory of Open Access Journals (Sweden)
Alexey Andreevich Panferov
2017-05-01
Full Text Available Opportunities of mivar-based approach for robots have been analyzed. Mivar-based method of rapid logical inference for calculating random algorithms of service robot functioning has been tested successfully. The logical model of office robot-guide functioning with the application of mivar-based method of rapid logical inference in the software environment “KESMI” (Wi!Mi 1.1 has been developed. Formalized map of the office for service robot has been described in mivar matrix, 63 objects for 100 rules. Simulation of robot functioning in the software environment V-REP has been performed.
Complexity of Gaussian-Radial-Basis Networks Approximating Smooth Functions
Czech Academy of Sciences Publication Activity Database
Kainen, P.C.; Kůrková, Věra; Sanguineti, M.
2009-01-01
Roč. 25, č. 1 (2009), s. 63-74 ISSN 0885-064X R&D Projects: GA ČR GA201/08/1744 Institutional research plan: CEZ:AV0Z10300504 Keywords : Gaussian-radial-basis-function networks * rates of approximation * model complexity * variation norms * Bessel and Sobolev norms * tractability of approximation Subject RIV: IN - Informatics, Computer Science Impact factor: 1.227, year: 2009
Application of the Characteristic Basis Function Method Using CUDA
Directory of Open Access Journals (Sweden)
Juan Ignacio Pérez
2014-01-01
Full Text Available The characteristic basis function method (CBFM is a popular technique for efficiently solving the method of moments (MoM matrix equations. In this work, we address the adaptation of this method to a relatively new computing infrastructure provided by NVIDIA, the Compute Unified Device Architecture (CUDA, and take into account some of the limitations which appear when the geometry under analysis becomes too big to fit into the Graphics Processing Unit’s (GPU’s memory.
On-line learning in radial basis functions networks
Freeman, Jason; Saad, David
1997-01-01
An analytic investigation of the average case learning and generalization properties of Radial Basis Function Networks (RBFs) is presented, utilising on-line gradient descent as the learning rule. The analytic method employed allows both the calculation of generalization error and the examination of the internal dynamics of the network. The generalization error and internal dynamics are then used to examine the role of the learning rate and the specialization of the hidden units, which gives ...
Comparison of optimization of loading patterns on the basis of SA and PMA algorithms
International Nuclear Information System (INIS)
Beliczai, Botond
2007-01-01
Optimization of loading patterns is a very important task from economical point of view in a nuclear power plant. The optimization algorithms used for this purpose can be categorized basically into two categories: deterministic ones and stochastic ones. In the Paks nuclear power plant a deterministic optimization procedure is used to optimize the loading pattern at BOC, so that the core would have maximal reactivity reserve. To the group of stochastic optimization procedures belong mainly simulated annealing (SA) procedures and genetic algorithms (GA). There are new procedures as well, which try to combine the advantages of SAs and GAs. One of them is called population mutation annealing algorithm (PMA). In the Paks NPP we would like to introduce fuel assemblies including burnable poison (Gd) in the near future. In order to be able to find the optimal loading pattern (or near-optimal loading patterns) in that case, we have to optimize our core not only for objective functions defined at BOC, but at EOC as well. For this purpose I used stochastic algorithms (SA and PMA) to investigate loading pattern optimization results for different objective functions at BOC. (author)
Modeling Marine Electromagnetic Survey with Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Agus Arif
2014-11-01
Full Text Available A marine electromagnetic survey is an engineering endeavour to discover the location and dimension of a hydrocarbon layer under an ocean floor. In this kind of survey, an array of electric and magnetic receivers are located on the sea floor and record the scattered, refracted and reflected electromagnetic wave, which has been transmitted by an electric dipole antenna towed by a vessel. The data recorded in receivers must be processed and further analysed to estimate the hydrocarbon location and dimension. To conduct those analyses successfuly, a radial basis function (RBF network could be employed to become a forward model of the input-output relationship of the data from a marine electromagnetic survey. This type of neural networks is working based on distances between its inputs and predetermined centres of some basis functions. A previous research had been conducted to model the same marine electromagnetic survey using another type of neural networks, which is a multi layer perceptron (MLP network. By comparing their validation and training performances (mean-squared errors and correlation coefficients, it is concluded that, in this case, the MLP network is comparatively better than the RBF network[1].[1] This manuscript is an extended version of our previous paper, entitled Radial Basis Function Networks for Modeling Marine Electromagnetic Survey, which had been presented on 2011 International Conference on Electrical Engineering and Informatics, 17-19 July 2011, Bandung, Indonesia.
Radial basis function and its application in tourism management
Hu, Shan-Feng; Zhu, Hong-Bin; Zhao, Lei
2018-05-01
In this work, several applications and the performances of the radial basis function (RBF) are briefly reviewed at first. After that, the binomial function combined with three different RBFs including the multiquadric (MQ), inverse quadric (IQ) and inverse multiquadric (IMQ) distributions are adopted to model the tourism data of Huangshan in China. Simulation results showed that all the models match very well with the sample data. It is found that among the three models, the IMQ-RBF model is more suitable for forecasting the tourist flow.
Integration by cell algorithm for Slater integrals in a spline basis
International Nuclear Information System (INIS)
Qiu, Y.; Fischer, C.F.
1999-01-01
An algorithm for evaluating Slater integrals in a B-spline basis is introduced. Based on the piecewise property of the B-splines, the algorithm divides the two-dimensional (r 1 , r 2 ) region into a number of rectangular cells according to the chosen grid and implements the two-dimensional integration over each individual cell using Gaussian quadrature. Over the off-diagonal cells, the integrands are separable so that each two-dimensional cell-integral is reduced to a product of two one-dimensional integrals. Furthermore, the scaling invariance of the B-splines in the logarithmic region of the chosen grid is fully exploited such that only some of the cell integrations need to be implemented. The values of given Slater integrals are obtained by assembling the cell integrals. This algorithm significantly improves the efficiency and accuracy of the traditional method that relies on the solution of differential equations and renders the B-spline method more effective when applied to multi-electron atomic systems
Radial Basis Function Networks for Conversion of Sound Spectra
Directory of Open Access Journals (Sweden)
Carlo Drioli
2001-03-01
Full Text Available In many advanced signal processing tasks, such as pitch shifting, voice conversion or sound synthesis, accurate spectral processing is required. Here, the use of Radial Basis Function Networks (RBFN is proposed for the modeling of the spectral changes (or conversions related to the control of important sound parameters, such as pitch or intensity. The identification of such conversion functions is based on a procedure which learns the shape of the conversion from few couples of target spectra from a data set. The generalization properties of RBFNs provides for interpolation with respect to the pitch range. In the construction of the training set, mel-cepstral encoding of the spectrum is used to catch the perceptually most relevant spectral changes. Moreover, a singular value decomposition (SVD approach is used to reduce the dimension of conversion functions. The RBFN conversion functions introduced are characterized by a perceptually-based fast training procedure, desirable interpolation properties and computational efficiency.
Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA
Directory of Open Access Journals (Sweden)
Alisson C. D. de Souza
2014-09-01
Full Text Available This paper proposes a parallel fixed point radial basis function (RBF artificial neural network (ANN, implemented in a field programmable gate array (FPGA trained online with a least mean square (LMS algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx, with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA.
Reconstruction of Daily Sea Surface Temperature Based on Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Zhihong Liao
2017-11-01
Full Text Available A radial basis function network (RBFN method is proposed to reconstruct daily Sea surface temperatures (SSTs with limited SST samples. For the purpose of evaluating the SSTs using this method, non-biased SST samples in the Pacific Ocean (10°N–30°N, 115°E–135°E are selected when the tropical storm Hagibis arrived in June 2014, and these SST samples are obtained from the Reynolds optimum interpolation (OI v2 daily 0.25° SST (OISST products according to the distribution of AVHRR L2p SST and in-situ SST data. Furthermore, an improved nearest neighbor cluster (INNC algorithm is designed to search for the optimal hidden knots for RBFNs from both the SST samples and the background fields. Then, the reconstructed SSTs from the RBFN method are compared with the results from the OI method. The statistical results show that the RBFN method has a better performance of reconstructing SST than the OI method in the study, and that the average RMSE is 0.48 °C for the RBFN method, which is quite smaller than the value of 0.69 °C for the OI method. Additionally, the RBFN methods with different basis functions and clustering algorithms are tested, and we discover that the INNC algorithm with multi-quadric function is quite suitable for the RBFN method to reconstruct SSTs when the SST samples are sparsely distributed.
Practical auxiliary basis implementation of Rung 3.5 functionals
International Nuclear Information System (INIS)
Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.
2014-01-01
Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r -vector ,r -vector ′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r -vector ,r -vector ′) onto a semilocal model density matrix γ SL (ρ(r -vector ),∇ρ(r -vector ),r -vector −r -vector ′). γ SL depends on the electron density ρ(r -vector ) at reference point r -vector , and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expanding the r -vector −r -vector ′ dependence of γ SL in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ SL yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms
Learning Mixtures of Truncated Basis Functions from Data
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Pérez-Bernabé, Inmaculada
2014-01-01
In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing a ke...... propose an alternative learning method that relies on the cumulative distribution function of the data. Empirical results demonstrate the usefulness of the approaches: Even though the methods produce estimators that are slightly poorer than the state of the art (in terms of log......In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing......-likelihood), they are significantly faster, and therefore indicate that the MoTBF framework can be used for inference and learning in reasonably sized domains. Furthermore, we show how a particular sub- class of MoTBF potentials (learnable by the proposed methods) can be exploited to significantly reduce complexity during inference....
DESIGNING ALGORITHMS FOR SOLVING PHYSICS PROBLEMS ON THE BASIS OF MIVAR APPROACH
Directory of Open Access Journals (Sweden)
Dmitry Alekseevich Chuvikov
2017-05-01
Full Text Available The paper considers the process of designing algorithms for solving physics problems on the basis of mivar approach. The work also describes general principles of mivar theory. The concepts of parameter, relation and class in mivar space are considered. There are descriptions of properties which every object in Wi!Mi model should have. An experiment in testing capabilities of the Wi!Mi software has been carried out, thus the model has been designed which solves physics problems from year 8 school course in Russia. To conduct the experiment a new version of Wi!Mi 2.1 software has been used. The physics model deals with the following areas: thermal phenomena, electric and electromagnetic phenomena, optical phenomena.
Nakayama, Hiromasa
2006-01-01
We give an algorithm to compute the local $b$ function. In this algorithm, we use the Mora division algorithm in the ring of differential operators and an approximate division algorithm in the ring of differential operators with power series coefficient.
An enhanced radial basis function network for short-term electricity price forecasting
International Nuclear Information System (INIS)
Lin, Whei-Min; Gow, Hong-Jey; Tsai, Ming-Tang
2010-01-01
This paper proposed a price forecasting system for electric market participants to reduce the risk of price volatility. Combining the Radial Basis Function Network (RBFN) and Orthogonal Experimental Design (OED), an Enhanced Radial Basis Function Network (ERBFN) has been proposed for the solving process. The Locational Marginal Price (LMP), system load, transmission flow and temperature of the PJM system were collected and the data clusters were embedded in the Excel Database according to the year, season, workday and weekend. With the OED applied to learning rates in the ERBFN, the forecasting error can be reduced during the training process to improve both accuracy and reliability. This would mean that even the ''spikes'' could be tracked closely. The Back-propagation Neural Network (BPN), Probability Neural Network (PNN), other algorithms, and the proposed ERBFN were all developed and compared to check the performance. Simulation results demonstrated the effectiveness of the proposed ERBFN to provide quality information in a price volatile environment. (author)
Directory of Open Access Journals (Sweden)
Sharma Rakesh
2004-05-01
Full Text Available Abstract Functional magnetic resonance imaging (fMRI is recently developing as imaging modality used for mapping hemodynamics of neuronal and motor event related tissue blood oxygen level dependence (BOLD in terms of brain activation. Image processing is performed by segmentation and registration methods. Segmentation algorithms provide brain surface-based analysis, automated anatomical labeling of cortical fields in magnetic resonance data sets based on oxygen metabolic state. Registration algorithms provide geometric features using two or more imaging modalities to assure clinically useful neuronal and motor information of brain activation. This review article summarizes the physiological basis of fMRI signal, its origin, contrast enhancement, physical factors, anatomical labeling by segmentation, registration approaches with examples of visual and motor activity in brain. Latest developments are reviewed for clinical applications of fMRI along with other different neurophysiological and imaging modalities.
International Nuclear Information System (INIS)
Havu, V.; Blum, V.; Havu, P.; Scheffler, M.
2009-01-01
We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.
The Gaussian radial basis function method for plasma kinetic theory
Energy Technology Data Exchange (ETDEWEB)
Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)
2015-10-30
Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.
Function-Based Algorithms for Biological Sequences
Mohanty, Pragyan Sheela P.
2015-01-01
Two problems at two different abstraction levels of computational biology are studied. At the molecular level, efficient pattern matching algorithms in DNA sequences are presented. For gene order data, an efficient data structure is presented capable of storing all gene re-orderings in a systematic manner. A common characteristic of presented…
Global sensitivity analysis using a Gaussian Radial Basis Function metamodel
International Nuclear Information System (INIS)
Wu, Zeping; Wang, Donghui; Okolo N, Patrick; Hu, Fan; Zhang, Weihua
2016-01-01
Sensitivity analysis plays an important role in exploring the actual impact of adjustable parameters on response variables. Amongst the wide range of documented studies on sensitivity measures and analysis, Sobol' indices have received greater portion of attention due to the fact that they can provide accurate information for most models. In this paper, a novel analytical expression to compute the Sobol' indices is derived by introducing a method which uses the Gaussian Radial Basis Function to build metamodels of computationally expensive computer codes. Performance of the proposed method is validated against various analytical functions and also a structural simulation scenario. Results demonstrate that the proposed method is an efficient approach, requiring a computational cost of one to two orders of magnitude less when compared to the traditional Quasi Monte Carlo-based evaluation of Sobol' indices. - Highlights: • RBF based sensitivity analysis method is proposed. • Sobol' decomposition of Gaussian RBF metamodel is obtained. • Sobol' indices of Gaussian RBF metamodel are derived based on the decomposition. • The efficiency of proposed method is validated by some numerical examples.
Generation of Optimal Basis Functions for Reconstruction of Power Distribution
Energy Technology Data Exchange (ETDEWEB)
Park, Moonghu [Sejong Univ., Seoul (Korea, Republic of)
2014-05-15
This study proposes GMDH to find not only the best functional form but also the optimal parameters those describe the power distribution most accurately. A total of 1,060 cases of axially 1-dimensional core power distributions of 20-nodes are generated by 3-dimensional core analysis code covering BOL to EOL core burnup histories to validate the method. Axially five-point box powers at in-core detectors are considered as measurements. The reconstructed axial power shapes using GMDH method are compared to the reference power shapes. The results show that the proposed method is very robust and accurate compared with spline fitting method. It is shown that the GMDH analysis can give optimal basis functions for core power shape reconstruction. The in-core measurements are the 5 detector snapshots and the 20-node power distribution is successfully reconstructed. The effectiveness of the method is demonstrated by comparing the results of spline fitting for BOL, saddle and top-skewed power shapes.
Chen, Zhaoxue; Chen, Hao
2014-01-01
A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.
STUDY ON ALGORITHM OF SENSOR MANAGEMENT BASED ON FUNCTIONS OF EFFICIENCY AND WASTE
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
Sensor management plays an important role in data fusion system, and this paper presents an algorithm of sensor management that can be used in target detection, identification and tracking. First, the basic concept, rule, range and function of sensor management are introduced. Then, the quantifying problems of target priority and sensor (or combination)-target pairing in multisensor management are discussed and the efficiency and waste functions are established based on the functions of target priority and sensor-target pairing. On this basis, a distribution algorithm of multisensor resources is given, which is optimized by the principle of maximum synthesis efficiency in the multisensor system and constrained by sensor maximum tracking power and what target must be scanned. In addition, the waste measure of sensor resources is introduced to improve the algorithm. Finally, a tactical task that includes three sensors and ten targets is set, and the simulation results show that the algorithm is feasible and effective.
A hybrid artificial bee colony algorithm for numerical function optimization
Alqattan, Zakaria N.; Abdullah, Rosni
2015-02-01
Artificial Bee Colony (ABC) algorithm is one of the swarm intelligence algorithms; it has been introduced by Karaboga in 2005. It is a meta-heuristic optimization search algorithm inspired from the intelligent foraging behavior of the honey bees in nature. Its unique search process made it as one of the most competitive algorithm with some other search algorithms in the area of optimization, such as Genetic algorithm (GA) and Particle Swarm Optimization (PSO). However, the ABC performance of the local search process and the bee movement or the solution improvement equation still has some weaknesses. The ABC is good in avoiding trapping at the local optimum but it spends its time searching around unpromising random selected solutions. Inspired by the PSO, we propose a Hybrid Particle-movement ABC algorithm called HPABC, which adapts the particle movement process to improve the exploration of the original ABC algorithm. Numerical benchmark functions were used in order to experimentally test the HPABC algorithm. The results illustrate that the HPABC algorithm can outperform the ABC algorithm in most of the experiments (75% better in accuracy and over 3 times faster).
Leclerc, Arnaud; Carrington, Tucker
2014-05-07
We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.
IMPLEMENTATION OF OBJECT TRACKING ALGORITHMS ON THE BASIS OF CUDA TECHNOLOGY
Directory of Open Access Journals (Sweden)
B. A. Zalesky
2014-01-01
Full Text Available A fast version of correlation algorithm to track objects on video-sequences made by a nonstabilized camcorder is presented. The algorithm is based on comparison of local correlations of the object image and regions of video-frames. The algorithm is implemented in programming technology CUDA. Application of CUDA allowed to attain real time execution of the algorithm. To improve its precision and stability, a robust version of the Kalman filter has been incorporated into the flowchart. Tests showed applicability of the algorithm to practical object tracking.
Hong, X; Harris, C J
2000-01-01
This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.
Meshfree Local Radial Basis Function Collocation Method with Image Nodes
Energy Technology Data Exchange (ETDEWEB)
Baek, Seung Ki; Kim, Minjae [Pukyong National University, Busan (Korea, Republic of)
2017-07-15
We numerically solve two-dimensional heat diffusion problems by using a simple variant of the meshfree local radial-basis function (RBF) collocation method. The main idea is to include an additional set of sample nodes outside the problem domain, similarly to the method of images in electrostatics, to perform collocation on the domain boundaries. We can thereby take into account the temperature profile as well as its gradients specified by boundary conditions at the same time, which holds true even for a node where two or more boundaries meet with different boundary conditions. We argue that the image method is computationally efficient when combined with the local RBF collocation method, whereas the addition of image nodes becomes very costly in case of the global collocation. We apply our modified method to a benchmark test of a boundary value problem, and find that this simple modification reduces the maximum error from the analytic solution significantly. The reduction is small for an initial value problem with simpler boundary conditions. We observe increased numerical instability, which has to be compensated for by a sufficient number of sample nodes and/or more careful parameter choices for time integration.
Complex basis functions for molecular resonances: Methodology and applications
White, Alec; McCurdy, C. William; Head-Gordon, Martin
The computation of positions and widths of metastable electronic states is a challenge for molecular electronic structure theory because, in addition to the difficulty of the many-body problem, such states obey scattering boundary conditions. These resonances cannot be addressed with naïve application of traditional bound state electronic structure theory. Non-Hermitian electronic structure methods employing complex basis functions is one way that we may rigorously treat resonances within the framework of traditional electronic structure theory. In this talk, I will discuss our recent work in this area including the methodological extension from single determinant SCF-based approaches to highly correlated levels of wavefunction-based theory such as equation of motion coupled cluster and many-body perturbation theory. These approaches provide a hierarchy of theoretical methods for the computation of positions and widths of molecular resonances. Within this framework, we may also examine properties of resonances including the dependence of these parameters on molecular geometry. Some applications of these methods to temporary anions and dianions will also be discussed.
A new algorithm for 3D reconstruction from support functions
DEFF Research Database (Denmark)
Gardner, Richard; Kiderlen, Markus
2009-01-01
We introduce a new algorithm for reconstructing an unknown shape from a finite number of noisy measurements of its support function. The algorithm, based on a least squares procedure, is very easy to program in standard software such as Matlab and allows, for the first time, good 3D reconstructio...
Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon
2017-12-01
Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.
An inductive algorithm for smooth approximation of functions
International Nuclear Information System (INIS)
Kupenova, T.N.
2011-01-01
An inductive algorithm is presented for smooth approximation of functions, based on the Tikhonov regularization method and applied to a specific kind of the Tikhonov parametric functional. The discrepancy principle is used for estimation of the regularization parameter. The principle of heuristic self-organization is applied for assessment of some parameters of the approximating function
When do evolutionary algorithms optimize separable functions in parallel?
DEFF Research Database (Denmark)
Doerr, Benjamin; Sudholt, Dirk; Witt, Carsten
2013-01-01
is that evolutionary algorithms make progress on all subfunctions in parallel, so that optimizing a separable function does not take not much longer than optimizing the hardest subfunction-subfunctions are optimized "in parallel." We show that this is only partially true, already for the simple (1+1) evolutionary...... algorithm ((1+1) EA). For separable functions composed of k Boolean functions indeed the optimization time is the maximum optimization time of these functions times a small O(log k) overhead. More generally, for sums of weighted subfunctions that each attain non-negative integer values less than r = o(log1...
Computing single step operators of logic programming in radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Computing single step operators of logic programming in radial basis function neural networks
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-07-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Computing single step operators of logic programming in radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-01-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T p :I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks
A Cooperative Harmony Search Algorithm for Function Optimization
Directory of Open Access Journals (Sweden)
Gang Li
2014-01-01
Full Text Available Harmony search algorithm (HS is a new metaheuristic algorithm which is inspired by a process involving musical improvisation. HS is a stochastic optimization technique that is similar to genetic algorithms (GAs and particle swarm optimizers (PSOs. It has been widely applied in order to solve many complex optimization problems, including continuous and discrete problems, such as structure design, and function optimization. A cooperative harmony search algorithm (CHS is developed in this paper, with cooperative behavior being employed as a significant improvement to the performance of the original algorithm. Standard HS just uses one harmony memory and all the variables of the object function are improvised within the harmony memory, while the proposed algorithm CHS uses multiple harmony memories, so that each harmony memory can optimize different components of the solution vector. The CHS was then applied to function optimization problems. The results of the experiment show that CHS is capable of finding better solutions when compared to HS and a number of other algorithms, especially in high-dimensional problems.
Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker
2017-08-01
Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.
International Nuclear Information System (INIS)
Bathke, C.
1978-03-01
A description is presented of a general algorithm for locating the extremum of a multi-dimensional constrained function. The algorithm employs a series of techniques dominated by random shrinkage, steepest descent, and adaptive creeping. A discussion follows of the algorithm's application to a ''real world'' problem, namely the optimization of the price of electricity, P/sub eh/, from a hybrid fusion-fission reactor. Upon the basis of comparisons with other optimization schemes of a survey nature, the algorithm is concluded to yield a good approximation to the location of a function's optimum
Abdelkarim M. Ertiame; D. W. Yu; D. L. Yu; J. B. Gomm
2015-01-01
In this paper, a robust fault detection and isolation (FDI) scheme is developed to monitor a multivariable nonlinear chemical process called the Chylla-Haase polymerization reactor, when it is under the cascade PI control. The scheme employs a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics, and using the weighted sum-squared prediction error as the residual. The Recursive Orthogonal Least Squares algorithm (ROLS) is emplo...
An Elementary Algorithm to Evaluate Trigonometric Functions to High Precision
Johansson, B. Tomas
2018-01-01
Evaluation of the cosine function is done via a simple Cordic-like algorithm, together with a package for handling arbitrary-precision arithmetic in the computer program Matlab. Approximations to the cosine function having hundreds of correct decimals are presented with a discussion around errors and implementation.
Organisms modeling: The question of radial basis function networks
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Muzy Alexandre
2014-01-01
Full Text Available There exists usually a gap between bio-inspired computational techniques and what biologists can do with these techniques in their current researches. Although biology is the root of system-theory and artifical neural networks, computer scientists are tempted to build their own systems independently of biological issues. This publication is a first-step re-evalution of an usual machine learning technique (radial basis funtion(RBF networks in the context of systems and biological reactive organisms.
Directory of Open Access Journals (Sweden)
O. V. Fomin
2013-10-01
Full Text Available Purpose. Presentation of features and example of the use of the offered determination algorithm of optimum geometrical parameters for the components of freight cars on the basis of the generalized mathematical models, which is realized using computer. Methodology. The developed approach to search for optimal geometrical parameters can be described as the determination of optimal decision of the selected set of possible variants. Findings. The presented application example of the offered algorithm proved its operation capacity and efficiency of use. Originality. The determination procedure of optimal geometrical parameters for freight car components on the basis of the generalized mathematical models was formalized in the paper. Practical value. Practical introduction of the research results for universal open cars allows one to reduce container of their design and accordingly to increase the carrying capacity almost by100 kg with the improvement of strength characteristics. Taking into account the mass of their park this will provide a considerable economic effect when producing and operating. The offered approach is oriented to the distribution of the software packages (for example Microsoft Excel, which are used by technical services of the most enterprises, and does not require additional capital investments (acquisitions of the specialized programs and proper technical staff training. This proves the correctness of the research direction. The offered algorithm can be used for the solution of other optimization tasks on the basis of the generalized mathematical models.
Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors
Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.
2016-12-01
The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.
Cheap contouring of costly functions: the Pilot Approximation Trajectory algorithm
International Nuclear Information System (INIS)
Huttunen, Janne M J; Stark, Philip B
2012-01-01
The Pilot Approximation Trajectory (PAT) contour algorithm can find the contour of a function accurately when it is not practical to evaluate the function on a grid dense enough to use a standard contour algorithm, for instance, when evaluating the function involves conducting a physical experiment or a computationally intensive simulation. PAT relies on an inexpensive pilot approximation to the function, such as interpolating from a sparse grid of inexact values, or solving a partial differential equation (PDE) numerically using a coarse discretization. For each level of interest, the location and ‘trajectory’ of an approximate contour of this pilot function are used to decide where to evaluate the original function to find points on its contour. Those points are joined by line segments to form the PAT approximation of the contour of the original function. Approximating a contour numerically amounts to estimating a lower level set of the function, the set of points on which the function does not exceed the contour level. The area of the symmetric difference between the true lower level set and the estimated lower level set measures the accuracy of the contour. PAT measures its own accuracy by finding an upper confidence bound for this area. In examples, PAT can estimate a contour more accurately than standard algorithms, using far fewer function evaluations than standard algorithms require. We illustrate PAT by constructing a confidence set for viscosity and thermal conductivity of a flowing gas from simulated noisy temperature measurements, a problem in which each evaluation of the function to be contoured requires solving a different set of coupled nonlinear PDEs. (paper)
Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao
2014-09-18
The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality.
Directory of Open Access Journals (Sweden)
M. Safish Mary
2012-04-01
Full Text Available Classification of large amount of data is a time consuming process but crucial for analysis and decision making. Radial Basis Function networks are widely used for classification and regression analysis. In this paper, we have studied the performance of RBF neural networks to classify the sales of cars based on the demand, using kernel density estimation algorithm which produces classification accuracy comparable to data classification accuracy provided by support vector machines. In this paper, we have proposed a new instance based data selection method where redundant instances are removed with help of a threshold thus improving the time complexity with improved classification accuracy. The instance based selection of the data set will help reduce the number of clusters formed thereby reduces the number of centers considered for building the RBF network. Further the efficiency of the training is improved by applying a hierarchical clustering technique to reduce the number of clusters formed at every step. The paper explains the algorithm used for classification and for conditioning the data. It also explains the complexities involved in classification of sales data for analysis and decision-making.
Indian Academy of Sciences (India)
algorithm that it is implicitly understood that we know how to generate the next natural ..... Explicit comparisons are made in line (1) where maximum and minimum is ... It can be shown that the function T(n) = 3/2n -2 is the solution to the above ...
52 Sociocultural Competence as a Basis for Functional Education: A ...
African Journals Online (AJOL)
User
2010-10-17
Oct 17, 2010 ... This paper examines the relevance of socio-cultural competence in functional ... non-material expressions of the people as well as the processes with which .... themselves in all kinds of immorality, smoking, stealing, drug ...
Dynamic Sensor Management Algorithm Based on Improved Efficacy Function
Directory of Open Access Journals (Sweden)
TANG Shujuan
2016-01-01
Full Text Available A dynamic sensor management algorithm based on improved efficacy function is proposed to solve the multi-target and multi-sensory management problem. The tracking task precision requirements (TPR, target priority and sensor use cost were considered to establish the efficacy function by weighted sum the normalized value of the three factors. The dynamic sensor management algorithm was accomplished through control the diversities of the desired covariance matrix (DCM and the filtering covariance matrix (FCM. The DCM was preassigned in terms of TPR and the FCM was obtained by the centralized sequential Kalman filtering algorithm. The simulation results prove that the proposed method could meet the requirements of desired tracking precision and adjust sensor selection according to target priority and cost of sensor source usage. This makes sensor management scheme more reasonable and effective.
Algebraic Factoring algorithm to recognise read-once functions.
Naidu, S.R.
2003-01-01
A fast polynomial-time algorithm was recently proposed to determine whether a logic function expressed as a unate DNF (disjunctive normal form) can be expressed as a read-once formula where each variable appears no more than once. The paper uses a combinatorial characterisation of read-once formulas
Studies in the method of correlated basis functions. Pt. 3
International Nuclear Information System (INIS)
Krotscheck, E.; Clark, J.W.
1980-01-01
A variational theory of pairing phenomena is presented for systems like neutron matter and liquid 3 He. The strong short-range correlations among the particles in these systems are incorporated into the trial states describing normal and pair-condensed phases, via a correlation operator F. The resulting theory has the same basic structure as that ordinarily applied for weak two-body interactions; in place of the pairing matrix elements of the bare interaction one finds certain effective pairing matrix elements Psub(kl), and modified single particle energies epsilon (k) appear. Detailed prescriptions are given for the construction of the Psub(kl) and epsilon (k) in terms of off-diagonal and diagonal matrix elements of the Hamiltonian and unit operators in a correlated basis of normal states. An exact criterion for instability of the assumed normal phase with respect to pair condensation is derived for general F. This criterion is investigated numerically for the special case if Jastrow correlations, the required normal-state quantities being evaluated by integral equation techniques which extend the Fermi hypernetted-chain scheme. In neutron matter, an instability with respect to 1 S 0 pairing is found in the low-density region, in concert with the predictions of Yang and Clark. In liquid 3 He, there is some indication of a 3 P 0 pairing instability in the vicinity of the experimental equilibrium density. (orig.)
Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik
2018-03-01
A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.
Directory of Open Access Journals (Sweden)
Yunfeng Wu
2014-01-01
Full Text Available This paper presents a novel adaptive linear and normalized combination (ALNC method that can be used to combine the component radial basis function networks (RBFNs to implement better function approximation and regression tasks. The optimization of the fusion weights is obtained by solving a constrained quadratic programming problem. According to the instantaneous errors generated by the component RBFNs, the ALNC is able to perform the selective ensemble of multiple leaners by adaptively adjusting the fusion weights from one instance to another. The results of the experiments on eight synthetic function approximation and six benchmark regression data sets show that the ALNC method can effectively help the ensemble system achieve a higher accuracy (measured in terms of mean-squared error and the better fidelity (characterized by normalized correlation coefficient of approximation, in relation to the popular simple average, weighted average, and the Bagging methods.
New MoM code incorporating multiple domain basis functions
CSIR Research Space (South Africa)
Lysko, AA
2011-08-01
Full Text Available piecewise linear approximation of geometry. This often leads to an unnecessarily great number of unknowns used to model relatively small loop and spiral antennas, coils and other curved structures. This is because the program creates a dense mesh... to accelerate computation of the elements of the impedance matrix and showed acceleration factor exceeding an order of magnitude, subject to a high accuracy requirement. 3. On Code Functionality and Application Results The package of programs was written...
Approximated Function Based Spectral Gradient Algorithm for Sparse Signal Recovery
Directory of Open Access Journals (Sweden)
Weifeng Wang
2014-02-01
Full Text Available Numerical algorithms for the l0-norm regularized non-smooth non-convex minimization problems have recently became a topic of great interest within signal processing, compressive sensing, statistics, and machine learning. Nevertheless, the l0-norm makes the problem combinatorial and generally computationally intractable. In this paper, we construct a new surrogate function to approximate l0-norm regularization, and subsequently make the discrete optimization problem continuous and smooth. Then we use the well-known spectral gradient algorithm to solve the resulting smooth optimization problem. Experiments are provided which illustrate this method is very promising.
Avian magnetic compass: Its functional properties and physical basis
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Roswitha WILTSCHKO, Wolfgang WILTSCHKO
2010-06-01
Full Text Available The avian magnetic compass was analyzed in bird species of three different orders – Passeriforms, Columbiforms and Galliforms – and in three different behavioral contexts, namely migratory orientation, homing and directional conditioning. The respective findings indicate similar functional properties: it is an inclination compass that works only within a functional window around the ambient magnetic field intensity; it tends to be lateralized in favor of the right eye, and it is wavelength-dependent, requiring light from the short-wavelength range of the spectrum. The underlying physical mechanisms have been identified as radical pair processes, spin-chemical reactions in specialized photopigments. The iron-based receptors in the upper beak do not seem to be involved. The existence of the same type of magnetic compass in only very distantly related bird species suggests that it may have been present already in the common ancestors of all modern birds, where it evolved as an all-purpose compass mechanism for orientation within the home range [Current Zoology 56 (3: 265–276, 2010].
International Nuclear Information System (INIS)
Brown, James; Carrington, Tucker
2016-01-01
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier’s symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
Brown, James; Carrington, Tucker
2016-06-28
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier's symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
Kirschstein, Timo; Wolters, Alexander; Lenz, Jan-Hendrik; Fröhlich, Susanne; Hakenberg, Oliver; Kundt, Günther; Darmüntzel, Martin; Hecker, Michael; Altiner, Attila; Müller-Hilke, Brigitte
2016-01-01
The amendment of the Medical Licensing Act (ÄAppO) in Germany in 2002 led to the introduction of graded assessments in the clinical part of medical studies. This, in turn, lent new weight to the importance of written tests, even though the minimum requirements for exam quality are sometimes difficult to reach. Introducing exam quality as a criterion for the award of performance-based allocation of funds is expected to steer the attention of faculty members towards more quality and perpetuate higher standards. However, at present there is a lack of suitable algorithms for calculating exam quality. In the spring of 2014, the students' dean commissioned the "core group" for curricular improvement at the University Medical Center in Rostock to revise the criteria for the allocation of performance-based funds for teaching. In a first approach, we developed an algorithm that was based on the results of the most common type of exam in medical education, multiple choice tests. It included item difficulty and discrimination, reliability as well as the distribution of grades achieved. This algorithm quantitatively describes exam quality of multiple choice exams. However, it can also be applied to exams involving short assay questions and the OSCE. It thus allows for the quantitation of exam quality in the various subjects and - in analogy to impact factors and third party grants - a ranking among faculty. Our algorithm can be applied to all test formats in which item difficulty, the discriminatory power of the individual items, reliability of the exam and the distribution of grades are measured. Even though the content validity of an exam is not considered here, we believe that our algorithm is suitable as a general basis for performance-based allocation of funds.
Directory of Open Access Journals (Sweden)
Kirschstein, Timo
2016-05-01
Full Text Available Objective: The amendment of the Medical Licensing Act (ÄAppO in Germany in 2002 led to the introduction of graded assessments in the clinical part of medical studies. This, in turn, lent new weight to the importance of written tests, even though the minimum requirements for exam quality are sometimes difficult to reach. Introducing exam quality as a criterion for the award of performance-based allocation of funds is expected to steer the attention of faculty members towards more quality and perpetuate higher standards. However, at present there is a lack of suitable algorithms for calculating exam quality.Methods: In the spring of 2014, the students‘ dean commissioned the „core group“ for curricular improvement at the University Medical Center in Rostock to revise the criteria for the allocation of performance-based funds for teaching. In a first approach, we developed an algorithm that was based on the results of the most common type of exam in medical education, multiple choice tests. It included item difficulty and discrimination, reliability as well as the distribution of grades achieved. Results: This algorithm quantitatively describes exam quality of multiple choice exams. However, it can also be applied to exams involving short assay questions and the OSCE. It thus allows for the quantitation of exam quality in the various subjects and – in analogy to impact factors and third party grants – a ranking among faculty. Conclusion: Our algorithm can be applied to all test formats in which item difficulty, the discriminatory power of the individual items, reliability of the exam and the distribution of grades are measured. Even though the content validity of an exam is not considered here, we believe that our algorithm is suitable as a general basis for performance-based allocation of funds.
Maaskant, R.; Mittra, R.; Tijhuis, A.G.; Graglia, R.D.
2007-01-01
This paper describes a novel technique for generating the characteristic basis functions (CBFs) used to represent the surface currents on finite arrays of electrically interconnected antenna elements. The CBFs are high-level basis functions, defined on subdomains in which the original problem is
The Neural Basis of Typewriting: A Functional MRI Study.
Higashiyama, Yuichi; Takeda, Katsuhiko; Someya, Yoshiaki; Kuroiwa, Yoshiyuki; Tanaka, Fumiaki
2015-01-01
To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI) study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.
The Neural Basis of Typewriting: A Functional MRI Study.
Directory of Open Access Journals (Sweden)
Yuichi Higashiyama
Full Text Available To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.
Factorization of products of discontinuous functions applied to Fourier-Bessel basis.
Popov, Evgeny; Nevière, Michel; Bonod, Nicolas
2004-01-01
The factorization rules of Li [J. Opt. Soc. Am. A 13, 1870 (1996)] are generalized to a cylindrical geometry requiring the use of a Bessel function basis. A theoretical study confirms the validity of the Laurent rule when a product of two continuous functions or of one continuous and one discontinuous function is factorized. The necessity of applying the so-called inverse rule in factorizing a continuous product of two discontinuous functions in a truncated basis is demonstrated theoretically and numerically.
Evolutionary Algorithms for Boolean Functions in Diverse Domains of Cryptography.
Picek, Stjepan; Carlet, Claude; Guilley, Sylvain; Miller, Julian F; Jakobovic, Domagoj
2016-01-01
The role of Boolean functions is prominent in several areas including cryptography, sequences, and coding theory. Therefore, various methods for the construction of Boolean functions with desired properties are of direct interest. New motivations on the role of Boolean functions in cryptography with attendant new properties have emerged over the years. There are still many combinations of design criteria left unexplored and in this matter evolutionary computation can play a distinct role. This article concentrates on two scenarios for the use of Boolean functions in cryptography. The first uses Boolean functions as the source of the nonlinearity in filter and combiner generators. Although relatively well explored using evolutionary algorithms, it still presents an interesting goal in terms of the practical sizes of Boolean functions. The second scenario appeared rather recently where the objective is to find Boolean functions that have various orders of the correlation immunity and minimal Hamming weight. In both these scenarios we see that evolutionary algorithms are able to find high-quality solutions where genetic programming performs the best.
Glycemic Memory as a Pathogenic Basis for Modern Antidiabetic Therapy Algorithm Forming
Directory of Open Access Journals (Sweden)
V.V. Poltorak
2014-04-01
Full Text Available Prevention/delay of the development of vascular complications remains one of major challenges in treatment of diabetes mellitus. Epidemiological studies have shown lack of efficacy of stable glycemic control in patients with long-existing diabetes. This phenomenon, confirmed in animal models and analyzed at the molecular genetic level, is called metabolic/glycemic memory and associated with epigenetic modifications of gene expression. On the other hand, it has been proven that early intensive intervention in type 1 and 2 diabetes mellitus reduces the risk of micro- and macrovascular complications development and progression, forming the basis for long-term favorable effects that persist beyond normoglycemia. The foregoing justifies change of therapeutic approach in diabetes mellitus since the moment of establishing diagnosis for the early and maximum safely achievement of blood glucose and glycosylated hemoglobin levels close to normal ones.
Self-calibration of divided circles on the basis of a prime factor algorithm
International Nuclear Information System (INIS)
Probst, R
2008-01-01
A new method for the self-calibration of divided circles is presented which is based on a known prime factor algorithm for the discrete Fourier transform (DFT). The method, called prime factor division (PFD) calibration, is of interest in angle metrology specially for self-calibrating angle encoders, and generally for a significant shortening of the cross-calibration between two divided circles. It requires that the circular division number N can be expressed as a product N = R × S, whereby the factors R and S are relatively prime integer numbers. For the self-calibration of a divided circle, N difference measurements between R angle positions in a regular distribution and one reference angle position determined by S are evaluated by a two-dimensional DFT, yielding the N absolute division errors. The factor R is preferably chosen small, down to a minimum of R = 2, whereas the factor S may be as large as appropriate for the division number N of interest. In the case of a cross-calibration between two divided circles, the PFD method reduces the number of measurements necessary from N 2 to (R + 1) × N. Experimental results are demonstrated for the calibrations of an optical polygon with 24 faces (prime factor product 3 × 8) and a gearwheel with 44 teeth (prime factor product 4 × 11)
Institute of Scientific and Technical Information of China (English)
朱国俊; 冯建军; 郭鹏程; 罗兴锜
2014-01-01
, the Bezier curve was used to parameterize the hydrofoil. The Latin Hypercube experiment design method was used to select the sample points in the design space which were used for training the Radial Basis Function neural network. The hydrodynamic performance for each sample was calculated by the computational fluid dynamic method, and then the Radial Basis Function neural network would be trained by these sample points. After the neural network had been trained, the multi-point optimization method of hydrofoil was solved by combining the NSGA-II method and the Radial Basis Function neural network. The method mentioned above was applied to the optimal design of NACA63-815 hydrofoil, and the optimization problems of the hydrofoil in three typical conditions in which the attack angle is 0, 6º and 12º were mainly studied in this paper. After optimization, two optimized hydrofoils were selected in the Pareto solution to compare with initial, which were named Optimal A and Optimal B. According to the CFD simulation, the optimized hydrofoil’s performance was gotten and compared with the initial hydrofoil. By comparison, it was found that the drag coefficient of the optimized hydrofoil in the three conditions are less than or equal to the initial. Moreover, the lift-drag ratios of the Optimal A hydrofoil in which the attack angles is 0, 6° and 12° have been improve by 4.6%, 4.4%and 22.8%respectively. And the lift-drag ratios of the Optimal B hydrofoils have also been improved by 6.6%, 3.8%and 16.6%respectively. In addition, according to the comparison of the optimized and initial hydrofoil’s pressure coefficient at the 12°attack angle, it can be found that the optimized hydrofoil can effectively suppress the stall phenomenon. Finally, two conclusions can be drawn from the optimal results. Firstly, use the Radial Basis Function neural network to replace the CFD simulation can effectively decrease the time that the optimization cycle spent. Secondly, the hydrofoil
Explicit appropriate basis function method for numerical solution of stiff systems
International Nuclear Information System (INIS)
Chen, Wenzhen; Xiao, Hongguang; Li, Haofeng; Chen, Ling
2015-01-01
Highlights: • An explicit numerical method called the appropriate basis function method is presented. • The method differs from the power series method for obtaining approximate numerical solutions. • Two cases show the method is fit for linear and nonlinear stiff systems. • The method is very simple and effective for most of differential equation systems. - Abstract: In this paper, an explicit numerical method, called the appropriate basis function method, is presented. The explicit appropriate basis function method differs from the power series method because it employs an appropriate basis function such as the exponential function, or periodic function, other than a polynomial, to obtain approximate numerical solutions. The method is successful and effective for the numerical solution of the first order ordinary differential equations. Two examples are presented to show the ability of the method for dealing with linear and nonlinear systems of differential equations
Regis, Rommel G.
2014-02-01
This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.
Efficient quantum algorithm for computing n-time correlation functions.
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.
Hellweg, Arnim; Rappoport, Dmitrij
2015-01-14
We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.
Directory of Open Access Journals (Sweden)
Misganaw Abebe
2017-11-01
Full Text Available Springback in multi-point dieless forming (MDF is a common problem because of the small deformation and blank holder free boundary condition. Numerical simulations are widely used in sheet metal forming to predict the springback. However, the computational time in using the numerical tools is time costly to find the optimal process parameters value. This study proposes radial basis function (RBF to replace the numerical simulation model by using statistical analyses that are based on a design of experiment (DOE. Punch holding time, blank thickness, and curvature radius are chosen as effective process parameters for determining the springback. The Latin hypercube DOE method facilitates statistical analyses and the extraction of a prediction model in the experimental process parameter domain. Finite element (FE simulation model is conducted in the ABAQUS commercial software to generate the springback responses of the training and testing samples. The genetic algorithm is applied to find the optimal value for reducing and compensating the induced springback for the different blank thicknesses using the developed RBF prediction model. Finally, the RBF numerical result is verified by comparing with the FE simulation result of the optimal process parameters and both results show that the springback is almost negligible from the target shape.
Accurate correlation energies in one-dimensional systems from small system-adapted basis functions
Baker, Thomas E.; Burke, Kieron; White, Steven R.
2018-02-01
We propose a general method for constructing system-dependent basis functions for correlated quantum calculations. Our construction combines features from several traditional approaches: plane waves, localized basis functions, and wavelets. In a one-dimensional mimic of Coulomb systems, it requires only 2-3 basis functions per electron to achieve high accuracy, and reproduces the natural orbitals. We illustrate its effectiveness for molecular energy curves and chains of many one-dimensional atoms. We discuss the promise and challenges for realistic quantum chemical calculations.
DSouza, Adora M; Abidin, Anas Zainul; Nagarajan, Mahesh B; Wismüller, Axel
2016-03-29
We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 ± 0.037) as well as the underlying network structure (Rand index = 0.87 ± 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.
Indian Academy of Sciences (India)
polynomial) division have been found in Vedic Mathematics which are dated much before Euclid's algorithm. A programming language Is used to describe an algorithm for execution on a computer. An algorithm expressed using a programming.
Multiscale finite element methods for high-contrast problems using local spectral basis functions
Efendiev, Yalchin
2011-02-01
In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.
Directory of Open Access Journals (Sweden)
Yuri B. Tebekin
2011-11-01
Full Text Available The article is devoted to the problem of the quality management for multiphase processes on the basis of the probabilistic approach. Method with continuous response functions is offered from the application of the method of Lagrange multipliers.
Meng, Qinggang; Lee, M. H.
2007-03-01
Advanced autonomous artificial systems will need incremental learning and adaptive abilities similar to those seen in humans. Knowledge from biology, psychology and neuroscience is now inspiring new approaches for systems that have sensory-motor capabilities and operate in complex environments. Eye/hand coordination is an important cross-modal cognitive function, and is also typical of many of the other coordinations that must be involved in the control and operation of embodied intelligent systems. This paper examines a biologically inspired approach for incrementally constructing compact mapping networks for eye/hand coordination. We present a simplified node-decoupled extended Kalman filter for radial basis function networks, and compare this with other learning algorithms. An experimental system consisting of a robot arm and a pan-and-tilt head with a colour camera is used to produce results and test the algorithms in this paper. We also present three approaches for adapting to structural changes during eye/hand coordination tasks, and the robustness of the algorithms under noise are investigated. The learning and adaptation approaches in this paper have similarities with current ideas about neural growth in the brains of humans and animals during tool-use, and infants during early cognitive development.
A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.
Huertas, Ismael; Oldehinkel, Marianne; van Oort, Erik S B; Garcia-Solis, David; Mir, Pablo; Beckmann, Christian F; Marquand, Andre F
2017-11-01
The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach
Voigt, M.; Lorenz, P.; Kruschke, T.; Osinski, R.; Ulbrich, U.; Leckebusch, G. C.
2012-04-01
Winterstorms and related gusts can cause extensive socio-economic damages. Knowledge about the occurrence and the small scale structure of such events may help to make regional estimations of storm losses. For a high spatial and temporal representation, the use of dynamical downscaling methods (RCM) is a cost-intensive and time-consuming option and therefore only applicable for a limited number of events. The current study explores a methodology to provide a statistical downscaling, which offers small scale structured gust fields from an extended large scale structured eventset. Radial-basis-function (RBF) networks in combination with bidirectional Kohonen (BDK) maps are used to generate the gustfields on a spatial resolution of 7 km from the 6-hourly mean sea level pressure field from ECMWF reanalysis data. BDK maps are a kind of neural network which handles supervised classification problems. In this study they are used to provide prototypes for the RBF network and give a first order approximation for the output data. A further interpolation is done by the RBF network. For the training process the 50 most extreme storm events over the North Atlantic area from 1957 to 2011 are used, which have been selected from ECMWF reanalysis datasets ERA40 and ERA-Interim by an objective wind based tracking algorithm. These events were downscaled dynamically by application of the DWD model chain GME → COSMO-EU. Different model parameters and their influence on the quality of the generated high-resolution gustfields are studied. It is shown that the statistical RBF network approach delivers reasonable results in modeling the regional gust fields for untrained events.
Indian Academy of Sciences (India)
to as 'divide-and-conquer'. Although there has been a large effort in realizing efficient algorithms, there are not many universally accepted algorithm design paradigms. In this article, we illustrate algorithm design techniques such as balancing, greedy strategy, dynamic programming strategy, and backtracking or traversal of ...
Vectorization of a penalty function algorithm for well scheduling
Absar, I.
1984-01-01
In petroleum engineering, the oil production profiles of a reservoir can be simulated by using a finite gridded model. This profile is affected by the number and choice of wells which in turn is a result of various production limits and constraints including, for example, the economic minimum well spacing, the number of drilling rigs available and the time required to drill and complete a well. After a well is available it may be shut in because of excessive water or gas productions. In order to optimize the field performance a penalty function algorithm was developed for scheduling wells. For an example with some 343 wells and 15 different constraints, the scheduling routine vectorized for the CYBER 205 averaged 560 times faster performance than the scalar version.
Algorithms: economical computation of functions of real matrices
International Nuclear Information System (INIS)
Weiss, Z.
1991-01-01
An algorithm is presented which economizes on the calculation of F(a), where A is a real matrix and F(x) a real valued function of x, using spectral analysis. Assuming the availability of the software for the calculation of the complete set of eigenvalues and eigen vectors of A, it is shown that the complex matrix arithmetics involved in subsequent operations leading from A to F(A) can be reduced to the size comparable with the analogous problem in real matrix arithmetics. Saving in CPU time and storage has been achieved by utilizing explicitly the property that complex eigenvalues of a real matrix appear in pairs of complex conjugated numbers. (author)
Bruni, S.; Llombart, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A method is proposed for the analysis of arrays of linear printed antennas. After the formulation of pertinent set of integral equations, the appropriate equivalent currents of the Method of Moments are represented in terms of two sets of entire domain basis functions. These functions synthesize on
Directory of Open Access Journals (Sweden)
Emer Bernal
2017-01-01
Full Text Available In this paper we are presenting a method using fuzzy logic for dynamic parameter adaptation in the imperialist competitive algorithm, which is usually known by its acronym ICA. The ICA algorithm was initially studied in its original form to find out how it works and what parameters have more effect upon its results. Based on this study, several designs of fuzzy systems for dynamic adjustment of the ICA parameters are proposed. The experiments were performed on the basis of solving complex optimization problems, particularly applied to benchmark mathematical functions. A comparison of the original imperialist competitive algorithm and our proposed fuzzy imperialist competitive algorithm was performed. In addition, the fuzzy ICA was compared with another metaheuristic using a statistical test to measure the advantage of the proposed fuzzy approach for dynamic parameter adaptation.
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2004-01-01
An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...
A branch and bound algorithm for the global optimization of Hessian Lipschitz continuous functions
Fowkes, Jaroslav M.; Gould, Nicholas I. M.; Farmer, Chris L.
2012-01-01
We present a branch and bound algorithm for the global optimization of a twice differentiable nonconvex objective function with a Lipschitz continuous Hessian over a compact, convex set. The algorithm is based on applying cubic regularisation
International Nuclear Information System (INIS)
Atif, Maimoon; Al-Sulaiman, Fahad A.
2015-01-01
Highlights: • Differential evolution optimization model was developed to optimize the heliostat field. • Five optical parameters were considered for the optimization of the optical efficiency. • Optimization using insolation weighted and un-weighted annual efficiency are developed. • The daily averaged annual optical efficiency was calculated to be 0.5023 while the monthly was 0.5025. • The insolation weighted daily averaged annual efficiency was 0.5634. - Abstract: Optimization of a heliostat field is an essential task to make a solar central receiver system effective because major optical losses are associated with the heliostat fields. In this study, a mathematical model was developed to effectively optimize the heliostat field on annual basis using differential evolution, which is an evolutionary algorithm. The heliostat field layout optimization is based on the calculation of five optical performance parameters: the mirror or the heliostat reflectivity, the cosine factor, the atmospheric attenuation factor, the shadowing and blocking factor, and the intercept factor. This model calculates all the aforementioned performance parameters at every stage of the optimization, until the best heliostat field layout based on annual performance is obtained. Two different approaches were undertaken to optimize the heliostat field layout: one with optimizing insolation weighted annual efficiency and the other with optimizing the un-weighted annual efficiency. Moreover, an alternate approach was also proposed to efficiently optimize the heliostat field in which the number of computational time steps was considerably reduced. It was observed that the daily averaged annual optical efficiency was calculated to be 0.5023 as compared to the monthly averaged annual optical efficiency, 0.5025. Moreover, the insolation weighted daily averaged annual efficiency of the heliostat field was 0.5634 for Dhahran, Saudi Arabia. The code developed can be used for any other
Fast generation of macro basis functions for LEGO through the adaptive cross approximation
Lancellotti, V.
2015-01-01
We present a method for the fast generation of macro basis functions in the context of the linear embedding via Green's operators approach (LEGO) which is a domain decomposition technique based on the combination of electromagnetic bricks in turn described by means of scattering operators. We show
Method of applying single higher order polynomial basis function over multiple domains
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available A novel method has been devised where one set of higher order polynomial-based basis functions can be applied over several wire segments, thus permitting to decouple the number of unknowns from the number of segments, and so from the geometrical...
Ryu, Duchwan; Liang, Faming; Mallick, Bani K.
2013-01-01
be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle
Least square fitting of low resolution gamma ray spectra with cubic B-spline basis functions
International Nuclear Information System (INIS)
Zhu Menghua; Liu Lianggang; Qi Dongxu; You Zhong; Xu Aoao
2009-01-01
In this paper, the least square fitting method with the cubic B-spline basis functions is derived to reduce the influence of statistical fluctuations in the gamma ray spectra. The derived procedure is simple and automatic. The results show that this method is better than the convolution method with a sufficient reduction of statistical fluctuation. (authors)
A metric for the Radial Basis Function Network - Application on Real Radar Data
Heiden, R. van der; Groen, F.C.A.
1996-01-01
A Radial Basis Functions (RBF) network for pattern recognition is considered. Classification with such a network is based on distances between patterns, so a metric is always present. Using real radar data, the Euclidean metric is shown to perform poorly - a metric based on the so called Box-Cox
International Nuclear Information System (INIS)
Kotasidis, Fotis A.; Zaidi, Habib
2014-01-01
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function
A new algorithm for the integration of exponential and logarithmic functions
Rothstein, M.
1977-01-01
An algorithm for symbolic integration of functions built up from the rational functions by repeatedly applying either the exponential or logarithm functions is discussed. This algorithm does not require polynomial factorization nor partial fraction decomposition and requires solutions of linear systems with only a small number of unknowns. It is proven that if this algorithm is applied to rational functions over the integers, a computing time bound for the algorithm can be obtained which is a polynomial in a bound on the integer length of the coefficients, and in the degrees of the numerator and denominator of the rational function involved.
Objective Function and Learning Algorithm for the General Node Fault Situation.
Xiao, Yi; Feng, Rui-Bin; Leung, Chi-Sing; Sum, John
2016-04-01
Fault tolerance is one interesting property of artificial neural networks. However, the existing fault models are able to describe limited node fault situations only, such as stuck-at-zero and stuck-at-one. There is no general model that is able to describe a large class of node fault situations. This paper studies the performance of faulty radial basis function (RBF) networks for the general node fault situation. We first propose a general node fault model that is able to describe a large class of node fault situations, such as stuck-at-zero, stuck-at-one, and the stuck-at level being with arbitrary distribution. Afterward, we derive an expression to describe the performance of faulty RBF networks. An objective function is then identified from the formula. With the objective function, a training algorithm for the general node situation is developed. Finally, a mean prediction error (MPE) formula that is able to estimate the test set error of faulty networks is derived. The application of the MPE formula in the selection of basis width is elucidated. Simulation experiments are then performed to demonstrate the effectiveness of the proposed method.
Utilizing Minkowski functionals for image analysis: a marching square algorithm
International Nuclear Information System (INIS)
Mantz, Hubert; Jacobs, Karin; Mecke, Klaus
2008-01-01
Comparing noisy experimental image data with statistical models requires a quantitative analysis of grey-scale images beyond mean values and two-point correlations. A real-space image analysis technique is introduced for digitized grey-scale images, based on Minkowski functionals of thresholded patterns. A novel feature of this marching square algorithm is the use of weighted side lengths for pixels, so that boundary lengths are captured accurately. As examples to illustrate the technique we study surface topologies emerging during the dewetting process of thin films and analyse spinodal decomposition as well as turbulent patterns in chemical reaction–diffusion systems. The grey-scale value corresponds to the height of the film or to the concentration of chemicals, respectively. Comparison with analytic calculations in stochastic geometry models reveals a remarkable agreement of the examples with a Gaussian random field. Thus, a statistical test for non-Gaussian features in experimental data becomes possible with this image analysis technique—even for small image sizes. Implementations of the software used for the analysis are offered for download
A Functional Programming Approach to AI Search Algorithms
Panovics, Janos
2012-01-01
The theory and practice of search algorithms related to state-space represented problems form the major part of the introductory course of Artificial Intelligence at most of the universities and colleges offering a degree in the area of computer science. Students usually meet these algorithms only in some imperative or object-oriented language…
Density functional theory and evolution algorithm calculations of elastic properties of AlON
Energy Technology Data Exchange (ETDEWEB)
Batyrev, I. G.; Taylor, D. E.; Gazonas, G. A.; McCauley, J. W. [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)
2014-01-14
Different models for aluminum oxynitride (AlON) were calculated using density functional theory and optimized using an evolutionary algorithm. Evolutionary algorithm and density functional theory (DFT) calculations starting from several models of AlON with different Al or O vacancy locations and different positions for the N atoms relative to the vacancy were carried out. The results show that the constant anion model [McCauley et al., J. Eur. Ceram. Soc. 29(2), 223 (2009)] with a random distribution of N atoms not adjacent to the Al vacancy has the lowest energy configuration. The lowest energy structure is in a reasonable agreement with experimental X-ray diffraction spectra. The optimized structure of a 55 atom unit cell was used to construct 220 and 440 atom models for simulation cells using DFT with a Gaussian basis set. Cubic elastic constant predictions were found to approach the experimentally determined AlON single crystal elastic constants as the model size increased from 55 to 440 atoms. The pressure dependence of the elastic constants found from simulated stress-strain relations were in overall agreement with experimental measurements of polycrystalline and single crystal AlON. Calculated IR intensity and Raman spectra are compared with available experimental data.
Indian Academy of Sciences (India)
ticians but also forms the foundation of computer science. Two ... with methods of developing algorithms for solving a variety of problems but ... applications of computers in science and engineer- ... numerical calculus are as important. We will ...
A conceptual basis to encode and detect organic functional groups in XML.
Sankar, Punnaivanam; Krief, Alain; Vijayasarathi, Durairaj
2013-06-01
A conceptual basis to define and detect organic functional groups is developed. The basic model of a functional group is termed as a primary functional group and is characterized by a group center composed of one or more group center atoms bonded to terminal atoms and skeletal carbon atoms. The generic group center patterns are identified from the structures of known functional groups. Accordingly, a chemical ontology 'Font' is developed to organize the existing functional groups as well as the new ones to be defined by the chemists. The basic model is extended to accommodate various combinations of primary functional groups as functional group assemblies. A concept of skeletal group is proposed to define the characteristic groups composed of only carbon atoms to be regarded as equivalent to functional groups. The combination of primary functional groups with skeletal groups is categorized as skeletal group assembly. In order to make the model suitable for reaction modeling purpose, a Graphical User Interface (GUI) is developed to define the functional groups and to encode in XML format appropriate to detect them in chemical structures. The system is capable of detecting multiple instances of primary functional groups as well as the overlapping poly-functional groups as the respective assemblies. Copyright © 2013 Elsevier Inc. All rights reserved.
The performance of the backpropagation algorithm with varying slope of the activation function
International Nuclear Information System (INIS)
Bai Yanping; Zhang Haixia; Hao Yilong
2009-01-01
Some adaptations are proposed to the basic BP algorithm in order to provide an efficient method to non-linear data learning and prediction. In this paper, an adopted BP algorithm with varying slope of activation function and different learning rates is put forward. The results of experiment indicated that this algorithm can get very good performance of training. We also test the prediction performance of our adopted BP algorithm on 16 instances. We compared the test results to the ones of the BP algorithm with gradient descent momentum and an adaptive learning rate. The results indicate this adopted BP algorithm gives best performance (100%) for test example, which conclude this adopted BP algorithm produces a smoothed reconstruction that learns better to new prediction function values than the BP algorithm improved with momentum.
Wang, Jindong; Chen, Peng; Deng, Yufen; Guo, Junjie
2018-01-01
As a three-dimensional measuring instrument, the laser tracker is widely used in industrial measurement. To avoid the influence of angle measurement error on the overall measurement accuracy, the multi-station and time-sharing measurement with a laser tracker is introduced on the basis of the global positioning system (GPS) principle in this paper. For the proposed method, how to accurately determine the coordinates of each measuring point by using a large amount of measured data is a critical issue. Taking detecting motion error of a numerical control machine tool, for example, the corresponding measurement algorithms are investigated thoroughly. By establishing the mathematical model of detecting motion error of a machine tool with this method, the analytical algorithm concerning on base station calibration and measuring point determination is deduced without selecting the initial iterative value in calculation. However, when the motion area of the machine tool is in a 2D plane, the coefficient matrix of base station calibration is singular, which generates a distortion result. In order to overcome the limitation of the original algorithm, an improved analytical algorithm is also derived. Meanwhile, the calibration accuracy of the base station with the improved algorithm is compared with that with the original analytical algorithm and some iterative algorithms, such as the Gauss-Newton algorithm and Levenberg-Marquardt algorithm. The experiment further verifies the feasibility and effectiveness of the improved algorithm. In addition, the different motion areas of the machine tool have certain influence on the calibration accuracy of the base station, and the corresponding influence of measurement error on the calibration result of the base station depending on the condition number of coefficient matrix are analyzed.
Feller, David; Dixon, David A
2018-03-08
Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.
Directory of Open Access Journals (Sweden)
Ali Mansourkhaki
2018-01-01
Full Text Available Noise pollution is a level of environmental noise which is considered as a disturbing and annoying phenomenon for human and wildlife. It is one of the environmental problems which has not been considered as harmful as the air and water pollution. Compared with other pollutants, the attempts to control noise pollution have largely been unsuccessful due to the inadequate knowledge of its effectson humans, as well as the lack of clear standards in previous years. However, with an increase of traveling vehicles, the adverse impact of increasing noise pollution on human health is progressively emerging. Hence, investigators all around the world are seeking to findnew approaches for predicting, estimating and controlling this problem and various models have been proposed. Recently, developing learning algorithms such as neural network has led to novel solutions for this challenge. These algorithms provide intelligent performance based on the situations and input data, enabling to obtain the best result for predicting noise level. In this study, two types of neural networks – multilayer perceptron and radial basis function – were developed for predicting equivalent continuous sound level (LA eq by measuring the traffivolume, average speed and percentage of heavy vehicles in some roads in west and northwest of Tehran. Then, their prediction results were compared based on the coefficienof determination (R 2 and the Mean Squared Error (MSE. Although both networks are of high accuracy in prediction of noise level, multilayer perceptron neural network based on selected criteria had a better performance.
Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen
2017-05-01
The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.
Liu, Z.; Kar, J.; Zeng, S.; Tackett, J. L.; Vaughan, M.; Trepte, C. R.; Omar, A. H.; Hu, Y.; Winker, D. M.
2017-12-01
In the CALIPSO retrieval algorithm, detection layers in the lidar measurements is followed by their classification as a "cloud" or "aerosol" using 5-dimensional probability density functions (PDFs). The five dimensions are the mean attenuated backscatter at 532 nm, the layer integrated total attenuated color ratio, the mid-layer altitude, integrated volume depolarization ratio and latitude. The new version 4 (V4) level 2 (L2) data products, released in November 2016, are the first major revision to the L2 product suite since May 2010. Significant calibration changes in the V4 level 1 data necessitated substantial revisions to the V4 L2 CAD algorithm. Accordingly, a new set of PDFs was generated to derive the V4 L2 data products. The V4 CAD algorithm is now applied to layers detected in the stratosphere, where volcanic layers and occasional cloud and smoke layers are observed. Previously, these layers were designated as `stratospheric', and not further classified. The V4 CAD algorithm is also applied to all layers detected at single shot (333 m) resolution. In prior data releases, single shot detections were uniformly classified as clouds. The CAD PDFs used in the earlier releases were generated using a full year (2008) of CALIPSO measurements. Because the CAD algorithm was not applied to stratospheric features, the properties of these layers were not incorporated into the PDFs. When building the V4 PDFs, the 2008 data were augmented with additional data from June 2011, and all stratospheric features were included. The Nabro and Puyehue-Cordon volcanos erupted in June 2011, and volcanic aerosol layers were observed in the upper troposphere and lower stratosphere in both the northern and southern hemispheres. The June 2011 data thus provides the stratospheric aerosol properties needed for comprehensive PDF generation. In contrast to earlier versions of the PDFs, which were generated based solely on observed distributions, construction of the V4 PDFs considered the
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav
2007-01-01
The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....
Burken, John J.
2005-01-01
This viewgraph presentation reviews the use of a Robust Servo Linear Quadratic Regulator (LQR) and a Radial Basis Function (RBF) Neural Network in reconfigurable flight control designs in adaptation to a aircraft part failure. The method uses a robust LQR servomechanism design with model Reference adaptive control, and RBF neural networks. During the failure the LQR servomechanism behaved well, and using the neural networks improved the tracking.
Application of natural basis functions to soft x-ray tomography
International Nuclear Information System (INIS)
Ingesson, L.
2000-03-01
Natural basis functions (NBFs), also known as natural pixels in the literature, have been applied in tomographic reconstructions of simulated measurements for the JET soft x-ray system, which has a total of about 200 detectors spread over 6 directions. Various types of NBFs, i.e. normal, generalized and orthonormal NBFs, are reviewed. The number of basis functions is roughly equal to the number of measurements. Therefore, little a priori information is required as regularization and truncated singular-value decomposition can be used for the tomographic inversion. The results of NBFs are compared with reconstructions by the same solution technique using local basis functions (LBFs), and with the reconstructions of a conventional constrained-optimization tomography method with many more LBFs that requires more a priori information. Although the results of the conventional method are superior due to the a priori information, the results of the NBF and other LBF methods are reasonable and show the main features. Therefore, NBFs are a promising way to assess whether features in reconstructions are real or artefacts resulting from the a priori information. Of the NBFs, regular triangular (generalized) NBFs give the most acceptable reconstructions, much better than traditional square pixels, although the reconstructions with pyramid-shaped LBFs are also reasonable and have slightly smaller reconstruction errors. A more-regular (virtual) viewing geometry improves the reconstructions. However, simulations with a viewing geometry with a total of 480 channels spread over 12 directions clearly show that a priori information still improves the reconstructions considerably. (author)
A prediction method for the wax deposition rate based on a radial basis function neural network
Directory of Open Access Journals (Sweden)
Ying Xie
2017-06-01
Full Text Available The radial basis function neural network is a popular supervised learning tool based on machinery learning technology. Its high precision having been proven, the radial basis function neural network has been applied in many areas. The accumulation of deposited materials in the pipeline may lead to the need for increased pumping power, a decreased flow rate or even to the total blockage of the line, with losses of production and capital investment, so research on predicting the wax deposition rate is significant for the safe and economical operation of an oil pipeline. This paper adopts the radial basis function neural network to predict the wax deposition rate by considering four main influencing factors, the pipe wall temperature gradient, pipe wall wax crystal solubility coefficient, pipe wall shear stress and crude oil viscosity, by the gray correlational analysis method. MATLAB software is employed to establish the RBF neural network. Compared with the previous literature, favorable consistency exists between the predicted outcomes and the experimental results, with a relative error of 1.5%. It can be concluded that the prediction method of wax deposition rate based on the RBF neural network is feasible.
Rational quadratic trigonometric Bézier curve based on new basis with exponential functions
Directory of Open Access Journals (Sweden)
Wu Beibei
2017-06-01
Full Text Available We construct a rational quadratic trigonometric Bézier curve with four shape parameters by introducing two exponential functions into the trigonometric basis functions in this paper. It has the similar properties as the rational quadratic Bézier curve. For given control points, the shape of the curve can be flexibly adjusted by changing the shape parameters and the weight. Some conics can be exactly represented when the control points, the shape parameters and the weight are chosen appropriately. The C0, C1 and C2 continuous conditions for joining two constructed curves are discussed. Some examples are given.
Directory of Open Access Journals (Sweden)
H.Z. Igamberdiyev
2014-07-01
Full Text Available Dynamic systems condition estimation regularization algorithms in the conditions of signals and hindrances statistical characteristics aprioristic uncertainty are offered. Regular iterative algorithms of strengthening matrix factor elements of the Kalman filter, allowing to adapt the filter to changing hindrance-alarm conditions are developed. Steady adaptive estimation algorithms of a condition vector in the aprioristic uncertainty conditions of covariance matrixes of object noise and the measurements hindrances providing a certain roughness of filtration process in relation to changing statistical characteristics of signals information parameters are offered. Offered practical realization results of the dynamic systems condition estimation algorithms are given at the adaptive management systems synthesis problems solution by technological processes of granulation drying of an ammophos pulp and receiving ammonia.
Formula over Function? From Algorithms to Values in Judicial Evaluation
Directory of Open Access Journals (Sweden)
Francesco Contini
2014-12-01
Full Text Available This paper discusses the forms and effects of the ‘invasion’ of the ‘temples of the law’ by new economic and managerial forms of performance evaluation. While traditional judicial evaluation focused on how to select and promote individual judges and on the legal quality of the single case, new quantitative methods and formulas are being introduced to assess efficiency, productivity and timeliness of judges and courts. Building on two case studies, from Spain and the Netherlands, the paper illustrates two contrasting approaches to judicial performance evaluation. On the one hand individual judges' productivity is evaluated through quantitative data and mathematical algorithms: in the extreme case considered here, judge's remuneration was adjusted accordingly. On the other hand quantitative and qualitative data, collected by a variety of methods and theoretical frameworks, are used as the basis of a multi-layered negotiation process designed to find a synthesis between competing economic, legal and social values aimed at improving overall organizational performance. Considering the flaws of unidimensional measurement and evaluation systems and considering the incommensurability of the results of the multiple evaluative frameworks (economic, legal, sociological required to overcome such flaws, the authors argue there is a need for political dialogue between relevant players in order to allocate the values appropriate to judicial evaluation. Este artículo analiza las formas y efectos de la “invasión” de los “templos de la ley” por nuevas formas económicas y de gestión como la evaluación del rendimiento. Mientras que la evaluación judicial tradicional se ha centrado en la forma de seleccionar y promocionar a jueces individuales, y en la calidad jurídica de un caso individual, hoy en día se están introduciendo nuevos métodos cuantitativos y fórmulas para determinar la eficiencia, productividad y oportunidad de jueces y
featsel: A framework for benchmarking of feature selection algorithms and cost functions
Marcelo S. Reis; Gustavo Estrela; Carlos Eduardo Ferreira; Junior Barrera
2017-01-01
In this paper, we introduce featsel, a framework for benchmarking of feature selection algorithms and cost functions. This framework allows the user to deal with the search space as a Boolean lattice and has its core coded in C++ for computational efficiency purposes. Moreover, featsel includes Perl scripts to add new algorithms and/or cost functions, generate random instances, plot graphs and organize results into tables. Besides, this framework already comes with dozens of algorithms and co...
Indian Academy of Sciences (India)
algorithm design technique called 'divide-and-conquer'. One of ... Turtle graphics, September. 1996. 5. ... whole list named 'PO' is a pointer to the first element of the list; ..... Program for computing matrices X and Y and placing the result in C *).
Swarm algorithms with chaotic jumps for optimization of multimodal functions
Krohling, Renato A.; Mendel, Eduardo; Campos, Mauro
2011-11-01
In this article, the use of some well-known versions of particle swarm optimization (PSO) namely the canonical PSO, the bare bones PSO (BBPSO) and the fully informed particle swarm (FIPS) is investigated on multimodal optimization problems. A hybrid approach which consists of swarm algorithms combined with a jump strategy in order to escape from local optima is developed and tested. The jump strategy is based on the chaotic logistic map. The hybrid algorithm was tested for all three versions of PSO and simulation results show that the addition of the jump strategy improves the performance of swarm algorithms for most of the investigated optimization problems. Comparison with the off-the-shelf PSO with local topology (l best model) has also been performed and indicates the superior performance of the standard PSO with chaotic jump over the standard both using local topology (l best model).
Directory of Open Access Journals (Sweden)
Jian Hu
2016-05-01
Full Text Available Uncertainties, including parametric uncertainties and uncertain nonlinearities, always exist in positioning servo systems driven by a hydraulic actuator, which would degrade their tracking accuracy. In this article, an integrated control scheme, which combines adaptive robust control together with radial basis function neural network–based disturbance observer, is proposed for high-accuracy motion control of hydraulic systems. Not only parametric uncertainties but also uncertain nonlinearities (i.e. nonlinear friction, external disturbances, and/or unmodeled dynamics are taken into consideration in the proposed controller. The above uncertainties are compensated, respectively, by adaptive control and radial basis function neural network, which are ultimately integrated together by applying feedforward compensation technique, in which the global stabilization of the controller is ensured via a robust feedback path. A new kind of parameter and weight adaptation law is designed on the basis of Lyapunov stability theory. Furthermore, the proposed controller obtains an expected steady performance even if modeling uncertainties exist, and extensive simulation results in various working conditions have proven the high performance of the proposed control scheme.
Boverman, Gregory; Miller, Eric L.; Brooks, Dana H.; Fang, Qianqian; Carp, S. A.; Selb, J. J.; Boas, David A.
2007-02-01
In the course of our experiments imaging the compressed breast in conjunction with digital tomosynthesis, we have noted that significant changes in tissue optical properties, on the order of 5%, occur during our imaging protocol. These changes seem to consistent with changes both in total Hemoglobin concentration as well as in oxygen saturation, as was the case for our standalone breast compression study, which made use of reflectance measurements. Simulation experiments show the importance of taking into account the temporal dynamics in the image reconstruction, and demonstrate the possibility of imaging the spatio-temporal dynamics of oxygen saturation and total Hemoglobin in the breast. In the image reconstruction, we make use of spatio-temporal basis functions, specifically a voxel basis for spatial imaging, and a cubic spline basis in time, and we reconstruct the spatio-temporal images using the entire data set simultaneously, making use of both absolute and relative measurements in the cost function. We have modified the sequence of sources used in our imaging acquisition protocol to improve our temporal resolution, and preliminary results are shown for normal subjects.
Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I
2017-09-12
We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.
Directory of Open Access Journals (Sweden)
Ekkehard Krüger
2015-05-01
Full Text Available The paper presents the group theory of optimally-localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and that the symmetry of the Bloch functions at all of the points of symmetry in the Brillouin zone is known, the paper details whether or not the Bloch functions of particular energy bands can be unitarily transformed into optimally-localized Wannier functions symmetry-adapted to the space group G, to the magnetic group M or to a subgroup of G or M. In this context, the paper considers usual, as well as spin-dependent Wannier functions, the latter representing the most general definition of Wannier functions. The presented group theory is a review of the theory published by one of the authors (Ekkehard Krüger in several former papers and is independent of any physical model of magnetism or superconductivity. However, it is suggested to interpret the special symmetry of the optimally-localized Wannier functions in the framework of a nonadiabatic extension of the Heisenberg model, the nonadiabatic Heisenberg model. On the basis of the symmetry of the Wannier functions, this model of strongly-correlated localized electrons makes clear predictions of whether or not the system can possess superconducting or magnetic eigenstates.
Plumley, Joshua A; Dannenberg, J J
2011-06-01
We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.
An Evaluation of the Sniffer Global Optimization Algorithm Using Standard Test Functions
Butler, Roger A. R.; Slaminka, Edward E.
1992-03-01
The performance of Sniffer—a new global optimization algorithm—is compared with that of Simulated Annealing. Using the number of function evaluations as a measure of efficiency, the new algorithm is shown to be significantly better at finding the global minimum of seven standard test functions. Several of the test functions used have many local minima and very steep walls surrounding the global minimum. Such functions are intended to thwart global minimization algorithms.
Implementation of digital image encryption algorithm using logistic function and DNA encoding
Suryadi, MT; Satria, Yudi; Fauzi, Muhammad
2018-03-01
Cryptography is a method to secure information that might be in form of digital image. Based on past research, in order to increase security level of chaos based encryption algorithm and DNA based encryption algorithm, encryption algorithm using logistic function and DNA encoding was proposed. Digital image encryption algorithm using logistic function and DNA encoding use DNA encoding to scramble the pixel values into DNA base and scramble it in DNA addition, DNA complement, and XOR operation. The logistic function in this algorithm used as random number generator needed in DNA complement and XOR operation. The result of the test show that the PSNR values of cipher images are 7.98-7.99 bits, the entropy values are close to 8, the histogram of cipher images are uniformly distributed and the correlation coefficient of cipher images are near 0. Thus, the cipher image can be decrypted perfectly and the encryption algorithm has good resistance to entropy attack and statistical attack.
Energy Technology Data Exchange (ETDEWEB)
Chauvin, C
2005-11-15
This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)
Molecular basis of the functional heterogeneity of the muscarinic acetylcholine receptor
International Nuclear Information System (INIS)
Numa, S.; Fukuda, K.; Kubo, T.; Maeda, A.; Akiba, I.; Bujo, H.; Nakai, J.; Mishina, M.; Higashida, H.
1988-01-01
The muscarinic acetylcholine receptor (mAChR) mediates a variety of cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides, and modulation of potassium channels, through the action of guanine-nucleotide-binding regulatory proteins (G proteins). The question then arises as to whether multiple mAChR species exist that are responsible for the various biochemical and physiological effects. In fact, pharmacologically distinguishable forms of the mAChR occur in different tissues and have been provisionally classified into M 1 (I), M 2 cardiac (II), and M 2 glandular (III) subtypes on the basis of their difference in apparent affinity for antagonists. Here, the authors have made attempts to understand the molecular basis of the functional heterogeneity of the mAChR, using recombinant DNA technology
Indian Academy of Sciences (India)
will become clear in the next article when we discuss a simple logo like programming language. ... Rod B may be used as an auxiliary store. The problem is to find an algorithm which performs this task. ... No disks are moved from A to Busing C as auxiliary rod. • move _disk (A, C);. (No + l)th disk is moved from A to C directly ...
Radial basis function neural network for power system load-flow
International Nuclear Information System (INIS)
Karami, A.; Mohammadi, M.S.
2008-01-01
This paper presents a method for solving the load-flow problem of the electric power systems using radial basis function (RBF) neural network with a fast hybrid training method. The main idea is that some operating conditions (values) are needed to solve the set of non-linear algebraic equations of load-flow by employing an iterative numerical technique. Therefore, we may view the outputs of a load-flow program as functions of the operating conditions. Indeed, we are faced with a function approximation problem and this can be done by an RBF neural network. The proposed approach has been successfully applied to the 10-machine and 39-bus New England test system. In addition, this method has been compared with that of a multi-layer perceptron (MLP) neural network model. The simulation results show that the RBF neural network is a simpler method to implement and requires less training time to converge than the MLP neural network. (author)
Vavalle, Nicholas A; Schoell, Samantha L; Weaver, Ashley A; Stitzel, Joel D; Gayzik, F Scott
2014-11-01
Human body finite element models (FEMs) are a valuable tool in the study of injury biomechanics. However, the traditional model development process can be time-consuming. Scaling and morphing an existing FEM is an attractive alternative for generating morphologically distinct models for further study. The objective of this work is to use a radial basis function to morph the Global Human Body Models Consortium (GHBMC) average male model (M50) to the body habitus of a 95th percentile male (M95) and to perform validation tests on the resulting model. The GHBMC M50 model (v. 4.3) was created using anthropometric and imaging data from a living subject representing a 50th percentile male. A similar dataset was collected from a 95th percentile male (22,067 total images) and was used in the morphing process. Homologous landmarks on the reference (M50) and target (M95) geometries, with the existing FE node locations (M50 model), were inputs to the morphing algorithm. The radial basis function was applied to morph the FE model. The model represented a mass of 103.3 kg and contained 2.2 million elements with 1.3 million nodes. Simulations of the M95 in seven loading scenarios were presented ranging from a chest pendulum impact to a lateral sled test. The morphed model matched anthropometric data to within a rootmean square difference of 4.4% while maintaining element quality commensurate to the M50 model and matching other anatomical ranges and targets. The simulation validation data matched experimental data well in most cases.
Directory of Open Access Journals (Sweden)
Ángel Gutiérrez
2015-04-01
Full Text Available The data available in the average clinical study of a disease is very often small. This is one of the main obstacles in the application of neural networks to the classification of biological signals used for diagnosing diseases. A rule of thumb states that the number of parameters (weights that can be used for training a neural network should be around 15% of the available data, to avoid overlearning. This condition puts a limit on the dimension of the input space. Different authors have used different approaches to solve this problem, like eliminating redundancy in the data, preprocessing the data to find centers for the radial basis functions, or extracting a small number of features that were used as inputs. It is clear that the classification would be better the more features we could feed into the network. The approach utilized in this paper is incrementing the number of training elements with randomly expanding training sets. This way the number of original signals does not constraint the dimension of the input set in the radial basis network. Then we train the network using the method that minimizes the error function using the gradient descent algorithm and the method that uses the particle swarm optimization technique. A comparison between the two methods showed that for the same number of iterations on both methods, the particle swarm optimization was faster, it was learning to recognize only the sick people. On the other hand, the gradient method was not as good in general better at identifying those people.
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study.
Wang, Ping; Zhu, Xing-Ting; Qi, Zhigang; Huang, Silin; Li, Hui-Jie
2017-01-01
Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI) study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs) and twenty non-video game players (NVGPs) of 60 years of age or older participated in the present study, and there are no significant differences in age ( t = 0.62, p = 0.536), gender ratio ( t = 1.29, p = 0.206) and years of education ( t = 1.92, p = 0.062) between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study
Directory of Open Access Journals (Sweden)
Ping Wang
2017-11-01
Full Text Available Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs and twenty non-video game players (NVGPs of 60 years of age or older participated in the present study, and there are no significant differences in age (t = 0.62, p = 0.536, gender ratio (t = 1.29, p = 0.206 and years of education (t = 1.92, p = 0.062 between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
Discrete Wigner Function Derivation of the Aaronson–Gottesman Tableau Algorithm
Directory of Open Access Journals (Sweden)
Lucas Kocia
2017-07-01
Full Text Available The Gottesman–Knill theorem established that stabilizer states and Clifford operations can be efficiently simulated classically. For qudits with odd dimension three and greater, stabilizer states and Clifford operations have been found to correspond to positive discrete Wigner functions and dynamics. We present a discrete Wigner function-based simulation algorithm for odd-d qudits that has the same time and space complexity as the Aaronson–Gottesman algorithm for qubits. We show that the efficiency of both algorithms is due to harmonic evolution in the symplectic structure of discrete phase space. The differences between the Wigner function algorithm for odd-d and the Aaronson–Gottesman algorithm for qubits are likely due only to the fact that the Weyl–Heisenberg group is not in S U ( d for d = 2 and that qubits exhibit state-independent contextuality. This may provide a guide for extending the discrete Wigner function approach to qubits.
Modelling of coil-loaded wire antenna using composite multiple domain basis functions
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available - tional Electromagnetics, Artech House, 2001. 3. Rogers, S. D. and C. M. Butler, \\An e–cient curved-wire integral equation solution technique," IEEE Trans. Ant. and Propag., 70{79, Vol. 49, Jan. 2001. 4. Mosig, J. and E. Suter, \\A multilevel divide.... 8. Wan, J. X., J. Lei, and C.-H. Liang, \\An e–cient analysis of large-scale periodic microstrip antenna arrays using the characteristic basis function method," Progress In Electromagnetics Research, PIER 50, 61{81, 2005. 9. Taguchi, M., K...
CSIR Research Space (South Africa)
Bogaers, Alfred EJ
2016-10-01
Full Text Available words, gB = [ φBA PB ] [ MAA PA P TA 0 ]−1 [ gA 0 ] . (15) NAME: DEFINITION C0 compactly supported piecewise polynomial (C0): (1− (||x|| /r))2+ C2 compactly supported piecewise polynomial (C2): (1− (||x|| /r))4+ (4 (||x|| /r) + 1) Thin-plate spline (TPS... a numerical comparison to Kriging and the moving least-squares method, see Krishnamurthy [16]). RBF interpolation is based on fitting a series of splines, or basis functions to interpolate information from one point cloud to another. Let us assume we...
Design and Modeling of RF Power Amplifiers with Radial Basis Function Artificial Neural Networks
Ali Reza Zirak; Sobhan Roshani
2016-01-01
A radial basis function (RBF) artificial neural network model for a designed high efficiency radio frequency class-F power amplifier (PA) is presented in this paper. The presented amplifier is designed at 1.8 GHz operating frequency with 12 dB of gain and 36 dBm of 1dB output compression point. The obtained power added efficiency (PAE) for the presented PA is 76% under 26 dBm input power. The proposed RBF model uses input and DC power of the PA as inputs variables and considers output power a...
KARHUNEN-LOÈVE Basis Functions of Kolmogorov Turbulence in the Sphere
Mathar, Richard J.
In support of modeling atmospheric turbulence, the statistically independent Karhunen-Loève modes of refractive indices with isotropic Kolmogorov spectrum of the covariance are calculated inside a sphere of fixed radius, rendered as series of 3D Zernike functions. Many of the symmetry arguments of the well-known associated 2D problem for the circular input pupil remain valid. The technique of efficient diagonalization of the eigenvalue problem in wavenumber space is founded on the Fourier representation of the 3D Zernike basis, and extensible to the von-Kármán power spectrum.
International Nuclear Information System (INIS)
Davidson, G.; Palmer, T.S.
2005-01-01
In 1975, Wachspress developed basis functions that can be constructed upon very general zone shapes, including convex polygons and polyhedra, as well as certain zone shapes with curved sides and faces. Additionally, Adams has recently shown that weight functions with certain properties will produce solutions with full-resolution. Wachspress rational functions possess those necessary properties. Here we present methods to construct and integrate Wachspress rational functions on quadrilaterals. We also present an asymptotic analysis of a discontinuous finite element discretization on quadrilaterals, and we present 3 numerical results that confirm the predictions of our analysis. In the first test problem, we showed that Wachspress rational functions could give robust solutions for a strongly heterogeneous problem with both orthogonal and skewed meshes. This strongly heterogenous problem contained thick, diffusive regions, and the discretization provided full-resolution solutions. In the second test problem, we confirmed our asymptotic analysis by demonstrating that the transport solution will converge to the diffusion solution as the problem is made increasingly thick and diffusive. In the third test problem, we demonstrated that bilinear discontinuous based transport and Wachspress rational function based transport converge in the one-mesh limit
Partially Adaptive STAP Algorithm Approaches to functional MRI
Huang, Lejian; Thompson, Elizabeth A.; Schmithorst, Vincent; Holland, Scott K.; Talavage, Thomas M.
2008-01-01
In this work, the architectures of three partially adaptive STAP algorithms are introduced, one of which is explored in detail, that reduce dimensionality and improve tractability over fully adaptive STAP when used in construction of brain activation maps in fMRI. Computer simulations incorporating actual MRI noise and human data analysis indicate that element space partially adaptive STAP can attain close to the performance of fully adaptive STAP while significantly decreasing processing tim...
A partitioned conjugate gradient algorithm for lattice Green functions
International Nuclear Information System (INIS)
Bowler, K.C.; Kenway, R.D.; Pawley, G.S.; Wallace, D.J.
1984-01-01
Partitioning reduces by one the dimensionality of the lattice on which a propagator need be calculated using, for example, the conjugate gradient algorithm. Thus the quark propagator in lattice QCD may be determined by a computation on a single spatial hyperplane. For free fermions on a 16 3 x N lattice 2N-bit accuracy in the propagator is required to avoid rounding errors. (orig.)
GRACE L1b inversion through a self-consistent modified radial basis function approach
Yang, Fan; Kusche, Juergen; Rietbroek, Roelof; Eicker, Annette
2016-04-01
Implementing a regional geopotential representation such as mascons or, more general, RBFs (radial basis functions) has been widely accepted as an efficient and flexible approach to recover the gravity field from GRACE (Gravity Recovery and Climate Experiment), especially at higher latitude region like Greenland. This is since RBFs allow for regionally specific regularizations over areas which have sufficient and dense GRACE observations. Although existing RBF solutions show a better resolution than classical spherical harmonic solutions, the applied regularizations cause spatial leakage which should be carefully dealt with. It has been shown that leakage is a main error source which leads to an evident underestimation of yearly trend of ice-melting over Greenland. Unlike some popular post-processing techniques to mitigate leakage signals, this study, for the first time, attempts to reduce the leakage directly in the GRACE L1b inversion by constructing an innovative modified (MRBF) basis in place of the standard RBFs to retrieve a more realistic temporal gravity signal along the coastline. Our point of departure is that the surface mass loading associated with standard RBF is smooth but disregards physical consistency between continental mass and passive ocean response. In this contribution, based on earlier work by Clarke et al.(2007), a physically self-consistent MRBF representation is constructed from standard RBFs, with the help of the sea level equation: for a given standard RBF basis, the corresponding MRBF basis is first obtained by keeping the surface load over the continent unchanged, but imposing global mass conservation and equilibrium response of the oceans. Then, the updated set of MRBFs as well as standard RBFs are individually employed as the basis function to determine the temporal gravity field from GRACE L1b data. In this way, in the MRBF GRACE solution, the passive (e.g. ice melting and land hydrology response) sea level is automatically
Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko
2018-04-01
Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.
Hutter, Jürg
2003-03-01
An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.
Machine learning (ML)-guided OPC using basis functions of polar Fourier transform
Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo
2016-03-01
With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
Energy Technology Data Exchange (ETDEWEB)
Luna, Antonio [Health Time Group, Jaen (Spain); University Hospitals, Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Radiology; Vilanova, Joan C. [Clinica Girona - Hospital Sta. Caterina, Girona (Spain); Hygino da Cruz, L. Celso Jr. [CDPI and IRM, Rio de Janeiro, RJ (Brazil). Dept. of Radiology; Rossi, Santiago E. (ed.) [Centro de Diagnostico, Buenos Aires (Argentina)
2014-07-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
Cellular and molecular basis of chronic constipation: taking the functional/idiopathic label out.
Bassotti, Gabrio; Villanacci, Vincenzo; Creţoiu, Dragos; Creţoiu, Sanda Maria; Becheanu, Gabriel
2013-07-14
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called "functional" or "idiopathic" disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable abnormalities). This is particularly true, for instance, for irritable bowel syndrome, the prototype entity of "functional" gastrointestinal disorders, where low-grade inflammation of both mucosa and myenteric plexus has been repeatedly demonstrated. Thus, researchers have also investigated other functional/idiopathic gastrointestinal disorders, and found that some organic ground is present, such as abnormal neurotransmission and myenteric plexitis in esophageal achalasia and mucosal immune activation and mild eosinophilia in functional dyspepsia. Here we show evidence, based on our own and other authors' work, that chronic constipation has several abnormalities reconductable to alterations in the enteric nervous system, abnormalities mainly characterized by a constant decrease of enteric glial cells and interstitial cells of Cajal (and, sometimes, of enteric neurons). Thus, we feel that (at least some forms of) chronic constipation should no more be considered as a functional/idiopathic gastrointestinal disorder, but instead as a true enteric neuropathic abnormality.
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
International Nuclear Information System (INIS)
Luna, Antonio; Hygino da Cruz, L. Celso Jr.
2014-01-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
Partially Adaptive STAP Algorithm Approaches to functional MRI
Huang, Lejian; Thompson, Elizabeth A.; Schmithorst, Vincent; Holland, Scott K.; Talavage, Thomas M.
2010-01-01
In this work, the architectures of three partially adaptive STAP algorithms are introduced, one of which is explored in detail, that reduce dimensionality and improve tractability over fully adaptive STAP when used in construction of brain activation maps in fMRI. Computer simulations incorporating actual MRI noise and human data analysis indicate that element space partially adaptive STAP can attain close to the performance of fully adaptive STAP while significantly decreasing processing time and maximum memory requirements, and thus demonstrates potential in fMRI analysis. PMID:19272913
Plumley, Joshua A.; Dannenberg, J. J.
2011-01-01
We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimenta...
International Nuclear Information System (INIS)
Kollmar, Christian; Neese, Frank
2014-01-01
The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples
A novel algorithm of artificial immune system for high-dimensional function numerical optimization
Institute of Scientific and Technical Information of China (English)
DU Haifeng; GONG Maoguo; JIAO Licheng; LIU Ruochen
2005-01-01
Based on the clonal selection theory and immune memory theory, a novel artificial immune system algorithm, immune memory clonal programming algorithm (IMCPA), is put forward. Using the theorem of Markov chain, it is proved that IMCPA is convergent. Compared with some other evolutionary programming algorithms (like Breeder genetic algorithm), IMCPA is shown to be an evolutionary strategy capable of solving complex machine learning tasks, like high-dimensional function optimization, which maintains the diversity of the population and avoids prematurity to some extent, and has a higher convergence speed.
Steering Angle Function Algorithm of Morphing of Residential Area
Directory of Open Access Journals (Sweden)
XIE Tian
2015-07-01
Full Text Available A residential area feature morphing method based on steering angle function is presented. To residential area with the same representation under two different scales,transforming the representation of the residential area polygon from vector coordinates to steering angle function,then using the steering angle function to match,and finding out the similarity and the differences between the residential areas under different scale to get the steering angle function of the the residential areas under any middle scale,the final,transforming the middle scale steering angle function to vector coordinates form,and get the middle shape interpolation of the the residential area polygon.Experimental results show:the residential area morphing method by using steering angle function presented can realize the continuous multi-scale representation under the premise of keeping in shape for the residential area with the rectangular boundary features.
Directory of Open Access Journals (Sweden)
HU Qi-guo
2017-01-01
Full Text Available For reducing the vehicle compartment low frequency noise, the Optimal Latin hypercube sampling method was applied to perform experimental design for sampling in the factorial design space. The thickness parameters of the panels with larger acoustic contribution was considered as factors, as well as the vehicle mass, seventh rank modal frequency of body, peak sound pressure of test point and sound pressure root-mean-square value as responses. By using the RBF(radial basis function neuro-network method, an approximation model of four responses about six factors was established. Further more, error analysis of established approximation model was performed in this paper. To optimize the panel’s thickness parameter, the adaptive simulated annealing algorithm was im-plemented. Optimization results show that the peak sound pressure of driver’s head was reduced by 4.45dB and 5.47dB at frequency 158HZ and 134Hz respec-tively. The test point pressure were significantly reduced at other frequency as well. The results indicate that through the optimization the vehicle interior cavity noise was reduced effectively, and the acoustical comfort of the vehicle was im-proved significantly.
Directory of Open Access Journals (Sweden)
Jingwen Tian
2013-02-01
Full Text Available Since the control system of the welding gun pose in whole-position welding is complicated and nonlinear, an intelligent control system of welding gun pose for a pipeline welding robot based on an improved radial basis function neural network (IRBFNN and expert system (ES is presented in this paper. The structure of the IRBFNN is constructed and the improved genetic algorithm is adopted to optimize the network structure. This control system makes full use of the characteristics of the IRBFNN and the ES. The ADXRS300 micro-mechanical gyro is used as the welding gun position sensor in this system. When the welding gun position is obtained, an appropriate pitch angle can be obtained through expert knowledge and the numeric reasoning capacity of the IRBFNN. ARM is used as the controller to drive the welding gun pitch angle step motor in order to adjust the pitch angle of the welding gun in real-time. The experiment results show that the intelligent control system of the welding gun pose using the IRBFNN and expert system is feasible and it enhances the welding quality. This system has wide prospects for application.
Zhou, Jianyong; Luo, Zu; Li, Chunquan; Deng, Mi
2018-01-01
When the meshless method is used to establish the mathematical-mechanical model of human soft tissues, it is necessary to define the space occupied by human tissues as the problem domain and the boundary of the domain as the surface of those tissues. Nodes should be distributed in both the problem domain and on the boundaries. Under external force, the displacement of the node is computed by the meshless method to represent the deformation of biological soft tissues. However, computation by the meshless method consumes too much time, which will affect the simulation of real-time deformation of human tissues in virtual surgery. In this article, the Marquardt's Algorithm is proposed to fit the nodal displacement at the problem domain's boundary and obtain the relationship between surface deformation and force. When different external forces are applied, the deformation of soft tissues can be quickly obtained based on this relationship. The analysis and discussion show that the improved model equations with Marquardt's Algorithm not only can simulate the deformation in real-time but also preserve the authenticity of the deformation model's physical properties. Copyright © 2017 Elsevier B.V. All rights reserved.
Maximization of submodular functions : Theory and enumeration algorithms
Goldengorin, B.
2009-01-01
Submodular functions are powerful tools to model and solve either to optimality or approximately many operational research problems including problems defined on graphs. After reviewing some long-standing theoretical results about the structure of local and global maxima of submodular functions,
The neural basis of human social values: evidence from functional MRI.
Zahn, Roland; Moll, Jorge; Paiva, Mirella; Garrido, Griselda; Krueger, Frank; Huey, Edward D; Grafman, Jordan
2009-02-01
Social values are composed of social concepts (e.g., "generosity") and context-dependent moral sentiments (e.g., "pride"). The neural basis of this intricate cognitive architecture has not been investigated thus far. Here, we used functional magnetic resonance imaging while subjects imagined their own actions toward another person (self-agency) which either conformed or were counter to a social value and were associated with pride or guilt, respectively. Imagined actions of another person toward the subjects (other-agency) in accordance with or counter to a value were associated with gratitude or indignation/anger. As hypothesized, superior anterior temporal lobe (aTL) activity increased with conceptual detail in all conditions. During self-agency, activity in the anterior ventromedial prefrontal cortex correlated with pride and guilt, whereas activity in the subgenual cingulate solely correlated with guilt. In contrast, indignation/anger activated lateral orbitofrontal-insular cortices. Pride and gratitude additionally evoked mesolimbic and basal forebrain activations. Our results demonstrate that social values emerge from coactivation of stable abstract social conceptual representations in the superior aTL and context-dependent moral sentiments encoded in fronto-mesolimbic regions. This neural architecture may provide the basis of our ability to communicate about the meaning of social values across cultural contexts without limiting our flexibility to adapt their emotional interpretation.
Radial basis functions in mathematical modelling of flow boiling in minichannels
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Hożejowska Sylwia
2017-01-01
Full Text Available The paper addresses heat transfer processes in flow boiling in a vertical minichannel of 1.7 mm depth with a smooth heated surface contacting fluid. The heated element for FC-72 flowing in a minichannel was a 0.45 mm thick plate made of Haynes-230 alloy. An infrared camera positioned opposite the central, axially symmetric part of the channel measured the plate temperature. K-type thermocouples and pressure converters were installed at the inlet and outlet of the minichannel. In the study radial basis functions were used to solve a problem concerning heat transfer in a heated plate supplied with the controlled direct current. According to the model assumptions, the problem is treated as twodimensional and governed by the Poisson equation. The aim of the study lies in determining the temperature field and the heat transfer coefficient. The results were verified by comparing them with those obtained by the Trefftz method.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-14
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-01
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Big geo data surface approximation using radial basis functions: A comparative study
Majdisova, Zuzana; Skala, Vaclav
2017-12-01
Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for big scattered datasets in n-dimensional space. It is a non-separable approximation, as it is based on the distance between two points. This method leads to the solution of an overdetermined linear system of equations. In this paper the RBF approximation methods are briefly described, a new approach to the RBF approximation of big datasets is presented, and a comparison for different Compactly Supported RBFs (CS-RBFs) is made with respect to the accuracy of the computation. The proposed approach uses symmetry of a matrix, partitioning the matrix into blocks and data structures for storage of the sparse matrix. The experiments are performed for synthetic and real datasets.
Radial Basis Function (RBF Interpolation and Investigating its Impact on Rainfall Duration Mapping
Directory of Open Access Journals (Sweden)
Hassan Derakhshan
2012-01-01
Full Text Available The missing data in database must be reproduced primarily by appropriate interpolation techniques. Radial basis function (RBF interpolators can play a significant role in data completion of precipitation mapping. Five RBF techniques were engaged to be employed in compensating the missing data in event-wised dataset of Upper Paramatta River Catchment in the western suburbs of Sydney, Australia. The related shape parameter, C, of RBFs was optimized for first event of database during a cross-validation process. The Normalized mean square error (NMSE, percent average estimation error (PAEE and coefficient of determination (R2 were the statistics used as validation tools. Results showed that the multiquadric RBF technique with the least error, best suits compensation of the related database.
Liu, Jinkun
2013-01-01
Radial Basis Function (RBF) Neural Network Control for Mechanical Systems is motivated by the need for systematic design approaches to stable adaptive control system design using neural network approximation-based techniques. The main objectives of the book are to introduce the concrete design methods and MATLAB simulation of stable adaptive RBF neural control strategies. In this book, a broad range of implementable neural network control design methods for mechanical systems are presented, such as robot manipulators, inverted pendulums, single link flexible joint robots, motors, etc. Advanced neural network controller design methods and their stability analysis are explored. The book provides readers with the fundamentals of neural network control system design. This book is intended for the researchers in the fields of neural adaptive control, mechanical systems, Matlab simulation, engineering design, robotics and automation. Jinkun Liu is a professor at Beijing University of Aeronautics and Astronauti...
Upset Prediction in Friction Welding Using Radial Basis Function Neural Network
Directory of Open Access Journals (Sweden)
Wei Liu
2013-01-01
Full Text Available This paper addresses the upset prediction problem of friction welded joints. Based on finite element simulations of inertia friction welding (IFW, a radial basis function (RBF neural network was developed initially to predict the final upset for a number of welding parameters. The predicted joint upset by the RBF neural network was compared to validated finite element simulations, producing an error of less than 8.16% which is reasonable. Furthermore, the effects of initial rotational speed and axial pressure on the upset were investigated in relation to energy conversion with the RBF neural network. The developed RBF neural network was also applied to linear friction welding (LFW and continuous drive friction welding (CDFW. The correlation coefficients of RBF prediction for LFW and CDFW were 0.963 and 0.998, respectively, which further suggest that an RBF neural network is an effective method for upset prediction of friction welded joints.
International Nuclear Information System (INIS)
Yang Xinglin; Wang Huacen; Chen Nan; Dai Wenhua; Li Jin
2006-01-01
High current linear induction accelerator (LIA) is a complicated experimental physics device. It is difficult to evaluate and predict its performance. this paper presents a method which combines wavelet packet transform and radial basis function (RBF) neural network to build fault diagnosis and performance evaluation in order to improve reliability of high current LIA. The signal characteristics vectors which are extracted based on energy parameters of wavelet packet transform can well present the temporal and steady features of pulsed power signal, and reduce data dimensions effectively. The fault diagnosis system for accelerating cell and the trend classification system for the beam current based on RBF networks can perform fault diagnosis and evaluation, and provide predictive information for precise maintenance of high current LIA. (authors)
Ryu, Duchwan
2013-03-01
The sea surface temperature (SST) is an important factor of the earth climate system. A deep understanding of SST is essential for climate monitoring and prediction. In general, SST follows a nonlinear pattern in both time and location and can be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle filter to estimate the parameters of the dynamic model. We analyze the SST observed in the Caribbean Islands area after a hurricane using the proposed dynamic model. Comparing to the traditional grid-based approach that requires a supercomputer due to its high computational demand, our approach requires much less CPU time and makes real-time forecasting of SST doable on a personal computer. Supplementary materials for this article are available online. © 2013 American Statistical Association.
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Ruslan Skrynkovskyy
2017-12-01
Full Text Available The purpose of the article is to improve the model of the enterprise (institution, organization management process on the basis of general management functions. The graphic model of the process of management according to the process-structured management is presented. It has been established that in today's business environment, the model of the management process should include such general management functions as: 1 controlling the achievement of results; 2 planning based on the main goal; 3 coordination and corrective actions (in the system of organization of work and production; 4 action as a form of act (conscious, volitional, directed; 5 accounting system (accounting, statistical, operational-technical and managerial; 6 diagnosis (economic, legal with such subfunctions as: identification of the state and capabilities; analysis (economic, legal, systemic with argumentation; assessment of the state, trends and prospects of development. The prospect of further research in this direction is: 1 the formation of a system of interrelation of functions and management methods, taking into account the presented research results; 2 development of the model of effective and efficient communication business process of the enterprise.
Li, Bo; Rui, Xiaoting
2018-01-01
Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.
Directory of Open Access Journals (Sweden)
Delaram Houshmand Kouchi
2017-05-01
Full Text Available The successful application of hydrological models relies on careful calibration and uncertainty analysis. However, there are many different calibration/uncertainty analysis algorithms, and each could be run with different objective functions. In this paper, we highlight the fact that each combination of optimization algorithm-objective functions may lead to a different set of optimum parameters, while having the same performance; this makes the interpretation of dominant hydrological processes in a watershed highly uncertain. We used three different optimization algorithms (SUFI-2, GLUE, and PSO, and eight different objective functions (R2, bR2, NSE, MNS, RSR, SSQR, KGE, and PBIAS in a SWAT model to calibrate the monthly discharges in two watersheds in Iran. The results show that all three algorithms, using the same objective function, produced acceptable calibration results; however, with significantly different parameter ranges. Similarly, an algorithm using different objective functions also produced acceptable calibration results, but with different parameter ranges. The different calibrated parameter ranges consequently resulted in significantly different water resource estimates. Hence, the parameters and the outputs that they produce in a calibrated model are “conditioned” on the choices of the optimization algorithm and objective function. This adds another level of non-negligible uncertainty to watershed models, calling for more attention and investigation in this area.
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.
Mitin, Alexander V
2013-09-05
The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.
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Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva, Switzerland and Wolfson Molecular Imaging Centre, MAHSC, University of Manchester, Manchester M20 3LJ (United Kingdom); Zaidi, Habib [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva (Switzerland); Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva (Switzerland); Department of Nuclear Medicine and Molecular Imaging, University of Groningen, University Medical Center Groningen, Groningen, 9700 RB (Netherlands)
2014-06-15
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-08-07
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods
International Nuclear Information System (INIS)
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-01-01
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT
Quantum algorithms on Walsh transform and Hamming distance for Boolean functions
Xie, Zhengwei; Qiu, Daowen; Cai, Guangya
2018-06-01
Walsh spectrum or Walsh transform is an alternative description of Boolean functions. In this paper, we explore quantum algorithms to approximate the absolute value of Walsh transform W_f at a single point z0 (i.e., |W_f(z0)|) for n-variable Boolean functions with probability at least 8/π 2 using the number of O(1/|W_f(z_{0)|ɛ }) queries, promised that the accuracy is ɛ , while the best known classical algorithm requires O(2n) queries. The Hamming distance between Boolean functions is used to study the linearity testing and other important problems. We take advantage of Walsh transform to calculate the Hamming distance between two n-variable Boolean functions f and g using O(1) queries in some cases. Then, we exploit another quantum algorithm which converts computing Hamming distance between two Boolean functions to quantum amplitude estimation (i.e., approximate counting). If Ham(f,g)=t≠0, we can approximately compute Ham( f, g) with probability at least 2/3 by combining our algorithm and {Approx-Count(f,ɛ ) algorithm} using the expected number of Θ( √{N/(\\lfloor ɛ t\\rfloor +1)}+√{t(N-t)}/\\lfloor ɛ t\\rfloor +1) queries, promised that the accuracy is ɛ . Moreover, our algorithm is optimal, while the exact query complexity for the above problem is Θ(N) and the query complexity with the accuracy ɛ is O(1/ɛ 2N/(t+1)) in classical algorithm, where N=2n. Finally, we present three exact quantum query algorithms for two promise problems on Hamming distance using O(1) queries, while any classical deterministic algorithm solving the problem uses Ω(2n) queries.
International Nuclear Information System (INIS)
Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E
2012-01-01
Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.
A new hybrid genetic algorithm for optimizing the single and multivariate objective functions
Energy Technology Data Exchange (ETDEWEB)
Tumuluru, Jaya Shankar [Idaho National Laboratory; McCulloch, Richard Chet James [Idaho National Laboratory
2015-07-01
In this work a new hybrid genetic algorithm was developed which combines a rudimentary adaptive steepest ascent hill climbing algorithm with a sophisticated evolutionary algorithm in order to optimize complex multivariate design problems. By combining a highly stochastic algorithm (evolutionary) with a simple deterministic optimization algorithm (adaptive steepest ascent) computational resources are conserved and the solution converges rapidly when compared to either algorithm alone. In genetic algorithms natural selection is mimicked by random events such as breeding and mutation. In the adaptive steepest ascent algorithm each variable is perturbed by a small amount and the variable that caused the most improvement is incremented by a small step. If the direction of most benefit is exactly opposite of the previous direction with the most benefit then the step size is reduced by a factor of 2, thus the step size adapts to the terrain. A graphical user interface was created in MATLAB to provide an interface between the hybrid genetic algorithm and the user. Additional features such as bounding the solution space and weighting the objective functions individually are also built into the interface. The algorithm developed was tested to optimize the functions developed for a wood pelleting process. Using process variables (such as feedstock moisture content, die speed, and preheating temperature) pellet properties were appropriately optimized. Specifically, variables were found which maximized unit density, bulk density, tapped density, and durability while minimizing pellet moisture content and specific energy consumption. The time and computational resources required for the optimization were dramatically decreased using the hybrid genetic algorithm when compared to MATLAB's native evolutionary optimization tool.
Kim, Wangdo; Espanha, Margarida M; Veloso, António P; Araújo, Duarte; João, Filipa; Carrão, Luis; Kohles, Sean S
2013-03-27
Traditional locomotion studies emphasize an optimization of the desired movement trajectories while ignoring sensory feedback. We propose an information based theory that locomotion is neither triggered nor commanded but controlled. The basis for this control is the information derived from perceiving oneself in the world. Control therefore lies in the human-environment system. In order to test this hypothesis, we derived a mathematical foundation characterizing the energy that is required to perform a rotational twist, with small amplitude, of the instantaneous axes of the knee (IAK). We have found that the joint's perception of the ground reaction force may be replaced by the co-perception of muscle activation with appropriate intensities. This approach generated an accurate comparison with known joint forces and appears appropriate in so far as predicting the effect on the knee when it is free to twist about the IAK.
International Nuclear Information System (INIS)
Alpatov, A. M.; Kamyshan, A. N.; Louzhnov, A. M.; Sokolov, I. V.
2007-01-01
The report presents the principle of operation and description of equipment complex for monitoring, control and protection by power, period, reactivity and local parameters of the core of WWER type reactor. The use in NFME of programmed computing means permitted on basis of signals from ex-core neutron detectors of working range, distributed over IC channel height, to realize operative non-inertia monitoring of mean axial power distribution shape in the core and its main characteristics (axial offset and axial non-uniformity coefficient). With regard for this and due to the use of information on position of control banks and on coolant temperature in the reactor vessel downcomer the equipment for power correction, eliminating the influence of the above factors on resulting signal and permitting to increase significantly the accuracy of power monitoring, was designed(Authors)
A new diffusion nodal method based on analytic basis function expansion
International Nuclear Information System (INIS)
Noh, J.M.; Cho, N.Z.
1993-01-01
The transverse integration procedure commonly used in most advanced nodal methods results in some limitations. The first is that the transverse leakage term that appears in the transverse integration procedure must be appropriately approximated. In most advanced nodal methods, this term is expanded in a quadratic polynomial. The second arises when reconstructing the pinwise flux distribution within a node. The available one-dimensional flux shapes from nodal calculation in each spatial direction cannot be used directly in the flux reconstruction. Finally, the transverse leakage defined for a hexagonal node becomes so complicated as not to be easily handled and contains nonphysical singular terms. In this paper, a new nodal method called the analytic function expansion nodal (AFEN) method is described for both the rectangular geometry and the hexagonal geometry in order to overcome these limitations. This method does not solve the transverse-integrated one-dimensional diffusion equations but instead solves directly the original multidimensional diffusion equation within a node. This is a accomplished by expanding the solution (or the intranodal homogeneous flux distribution) in terms of nonseparable analytic basis functions satisfying the diffusion equation at any point in the node
Sabour, Mohammad Reza; Moftakhari Anasori Movahed, Saman
2017-02-01
The soil sorption partition coefficient logK oc is an indispensable parameter that can be used in assessing the environmental risk of organic chemicals. In order to predict soil sorption partition coefficient for different and even unknown compounds in a fast and accurate manner, a radial basis function neural network (RBFNN) model was developed. Eight topological descriptors of 800 organic compounds were used as inputs of the model. These 800 organic compounds were chosen from a large and very diverse data set. Generalized Regression Neural Network (GRNN) was utilized as the function in this neural network model due to its capability to adapt very quickly. Hence, it can be used to predict logK oc for new chemicals, as well. Out of total data set, 560 organic compounds were used for training and 240 to test efficiency of the model. The obtained results indicate that the model performance is very well. The correlation coefficients (R2) for training and test sets were 0.995 and 0.933, respectively. The root-mean square errors (RMSE) were 0.2321 for training set and 0.413 for test set. As the results for both training and test set are extremely satisfactory, the proposed neural network model can be employed not only to predict logK oc of known compounds, but also to be adaptive for prediction of this value precisely for new products that enter the market each year. Copyright © 2016 Elsevier Ltd. All rights reserved.
Response functions of a superlattice with a basis: A model for oxide superconductors
International Nuclear Information System (INIS)
Griffin, A.
1988-01-01
The new high-T/sub c/ oxide superconductors appear to be superlattice structures with a basis composed of metallic sheets as well as metallic chains. Using a simple free-electron-gas model for the sheets and chains, we obtain the dielectric function ε(q,ω) of such a multilayer system within the random-phase approximation (RPA). We give results valid for arbitrary wave vector q appropriate to sheets and chains (as in the orthorhombic phase of Y-Ba-Cu-O) as well as for two different kinds of sheets (such as may be present in the Bi-Ca-Sr-Cu-O superconductors). The occurrence of acoustic plasmons is a general phenomenon in such superlattices, as shown by an alternative formulation based on the exact response functions for the individual sheets and chains, in which only the interchain (sheet) Coulomb interaction is treated in the RPA. These results generalize the long-wavelength expressions recently given in the literature. We also briefly discuss the analogous results for two arrays of mutually perpendicular chains, such as found in Hg chain compounds
Solution to PDEs using radial basis function finite-differences (RBF-FD) on multiple GPUs
International Nuclear Information System (INIS)
Bollig, Evan F.; Flyer, Natasha; Erlebacher, Gordon
2012-01-01
This paper presents parallelization strategies for the radial basis function-finite difference (RBF-FD) method. As a generalized finite differencing scheme, the RBF-FD method functions without the need for underlying meshes to structure nodes. It offers high-order accuracy approximation and scales as O(N) per time step, with N being with the total number of nodes. To our knowledge, this is the first implementation of the RBF-FD method to leverage GPU accelerators for the solution of PDEs. Additionally, this implementation is the first to span both multiple CPUs and multiple GPUs. OpenCL kernels target the GPUs and inter-processor communication and synchronization is managed by the Message Passing Interface (MPI). We verify our implementation of the RBF-FD method with two hyperbolic PDEs on the sphere, and demonstrate up to 9x speedup on a commodity GPU with unoptimized kernel implementations. On a high performance cluster, the method achieves up to 7x speedup for the maximum problem size of 27,556 nodes.
Explicit symplectic algorithms based on generating functions for charged particle dynamics
Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan
2016-07-01
Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.
International Nuclear Information System (INIS)
Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo Youn
2015-01-01
We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal to 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems
Estimating the Partition Function Zeros by Using the Wang-Landau Monte Carlo Algorithm
Energy Technology Data Exchange (ETDEWEB)
Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of)
2017-03-15
The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω(E) as a function of the energy E. Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω(E). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice (L = 10 ∼ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H(E).
International Nuclear Information System (INIS)
Filippov, G.F.; Ovcharenko, V.I.; Teryoshin, Yu.V.
1980-01-01
For near-magnetic nuclei, the matrix elements of the central exchange nucleon-nucleon interaction potential energy operator between the generating functions of the total basis of the Sn are obtained. The basis states are highest weigt vectorsp(2,R) irreducible representatio of the SO(3) irredicible representation and in addition, have a definite O(A-1) symmetry. The Sp(2,R) basis generating matrix elements simplify essentially the problem of calculating the spectrum of collective excitations of the atomic nucleus over an intrinsic function of definite O(A-1) symmetry
Chaudhary, Nitika; Sandhu, Padmani; Ahmed, Mushtaq; Akhter, Yusuf
2017-02-01
Trichothecenes are the sesquiterpenes secreted by Trichoderma spp. residing in the rhizosphere. These compounds have been reported to act as plant growth promoters and bio-control agents. The structural knowledge for the transporter proteins of their efflux remained limited. In this study, three-dimensional structure of Thmfs1 protein, a trichothecene transporter from Trichoderma harzianum, was homology modelled and further Molecular Dynamics (MD) simulations were used to decipher its mechanism. Fourteen transmembrane helices of Thmfs1 protein are observed contributing to an inward-open conformation. The transport channel and ligand binding sites in Thmfs1 are identified based on heuristic, iterative algorithm and structural alignment with homologous proteins. MD simulations were performed to reveal the differential structural behaviour occurring in the ligand free and ligand bound forms. We found that two discrete trichothecene binding sites are located on either side of the central transport tunnel running from the cytoplasmic side to the extracellular side across the Thmfs1 protein. Detailed analysis of the MD trajectories showed an alternative access mechanism between N and C-terminal domains contributing to its function. These results also demonstrate that the transport of trichodermin occurs via hopping mechanism in which the substrate molecule jumps from one binding site to another lining the transport tunnel. Copyright © 2016 Elsevier B.V. All rights reserved.
DEFF Research Database (Denmark)
Nica, Florin Valentin Traian; Ritchie, Ewen; Leban, Krisztina Monika
2013-01-01
, genetic algorithm and particle swarm are shortly presented in this paper. These two algorithms are tested to determine their performance on five different benchmark test functions. The algorithms are tested based on three requirements: precision of the result, number of iterations and calculation time....... Both algorithms are also tested on an analytical design process of a Transverse Flux Permanent Magnet Generator to observe their performances in an electrical machine design application.......Nowadays the requirements imposed by the industry and economy ask for better quality and performance while the price must be maintained in the same range. To achieve this goal optimization must be introduced in the design process. Two of the best known optimization algorithms for machine design...
Improving the quantum cost of reversible Boolean functions using reorder algorithm
Ahmed, Taghreed; Younes, Ahmed; Elsayed, Ashraf
2018-05-01
This paper introduces a novel algorithm to synthesize a low-cost reversible circuits for any Boolean function with n inputs represented as a Positive Polarity Reed-Muller expansion. The proposed algorithm applies a predefined rules to reorder the terms in the function to minimize the multi-calculation of common parts of the Boolean function to decrease the quantum cost of the reversible circuit. The paper achieves a decrease in the quantum cost and/or the circuit length, on average, when compared with relevant work in the literature.
A deterministic algorithm for fitting a step function to a weighted point-set
Fournier, Hervé
2013-02-01
Given a set of n points in the plane, each point having a positive weight, and an integer k>0, we present an optimal O(nlogn)-time deterministic algorithm to compute a step function with k steps that minimizes the maximum weighted vertical distance to the input points. It matches the expected time bound of the best known randomized algorithm for this problem. Our approach relies on Coles improved parametric searching technique. As a direct application, our result yields the first O(nlogn)-time algorithm for computing a k-center of a set of n weighted points on the real line. © 2012 Elsevier B.V.
A controlled genetic algorithm by fuzzy logic and belief functions for job-shop scheduling.
Hajri, S; Liouane, N; Hammadi, S; Borne, P
2000-01-01
Most scheduling problems are highly complex combinatorial problems. However, stochastic methods such as genetic algorithm yield good solutions. In this paper, we present a controlled genetic algorithm (CGA) based on fuzzy logic and belief functions to solve job-shop scheduling problems. For better performance, we propose an efficient representational scheme, heuristic rules for creating the initial population, and a new methodology for mixing and computing genetic operator probabilities.
Radial basis function networks applied to DNBR calculation in digital core protection systems
International Nuclear Information System (INIS)
Lee, Gyu-Cheon; Heung Chang, Soon
2003-01-01
The nuclear power plant has to be operated with sufficient margin from the specified DNBR limit for assuring its safety. The digital core protection system calculates on-line real-time DNBR by using a complex subchannel analysis program, and triggers a reliable reactor shutdown if the calculated DNBR approaches the specified limit. However, it takes a relatively long calculation time even for a steady state condition, which may have an adverse effect on the operation flexibility. To overcome the drawback, a new method using a radial basis function network is presented in this paper. Nonparametric training approach is utilized, which shows dramatic reduction of the training time, no tedious heuristic process for optimizing parameters, and no local minima problem during the training. The test results show that the predicted DNBR is within about ±2% deviation from the target DNBR for the fixed axial flux shape case. For the variable axial flux case including severely skewed shapes that appeared during accidents, the deviation is within about ±10%. The suggested method could be the alternative that can calculate DNBR very quickly while guaranteeing the plant safety
McClements, David Julian; Gumus, Cansu Ekin
2016-08-01
There is increasing consumer pressure for commercial products that are more natural, sustainable, and environmentally friendly, including foods, cosmetics, detergents, and personal care products. Industry has responded by trying to identify natural alternatives to synthetic functional ingredients within these products. The focus of this review article is on the replacement of synthetic surfactants with natural emulsifiers, such as amphiphilic proteins, polysaccharides, biosurfactants, phospholipids, and bioparticles. In particular, the physicochemical basis of emulsion formation and stabilization by natural emulsifiers is discussed, and the benefits and limitations of different natural emulsifiers are compared. Surface-active polysaccharides typically have to be used at relatively high levels to produce small droplets, but the droplets formed are highly resistant to environmental changes. Conversely, surface-active proteins are typically utilized at low levels, but the droplets formed are highly sensitive to changes in pH, ionic strength, and temperature. Certain phospholipids are capable of producing small oil droplets during homogenization, but again the droplets formed are highly sensitive to changes in environmental conditions. Biosurfactants (saponins) can be utilized at low levels to form fine oil droplets that remain stable over a range of environmental conditions. Some nature-derived nanoparticles (e.g., cellulose, chitosan, and starch) are effective at stabilizing emulsions containing relatively large oil droplets. Future research is encouraged to identify, isolate, purify, and characterize new types of natural emulsifier, and to test their efficacy in food, cosmetic, detergent, personal care, and other products. Copyright © 2016 Elsevier B.V. All rights reserved.
Wang, Zhiheng
2014-12-10
A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.
Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination
Abbas, Fayçal; Babahenini, Mohamed Chaouki
2018-06-01
Global illumination of natural scenes in real time like forests is one of the most complex problems to solve, because the multiple inter-reflections between the light and material of the objects composing the scene. The major problem that arises is the problem of visibility computation. In fact, the computing of visibility is carried out for all the set of leaves visible from the center of a given leaf, given the enormous number of leaves present in a tree, this computation performed for each leaf of the tree which also reduces performance. We describe a new approach that approximates visibility queries, which precede in two steps. The first step is to generate point cloud representing the foliage. We assume that the point cloud is composed of two classes (visible, not-visible) non-linearly separable. The second step is to perform a point cloud classification by applying the Gaussian radial basis function, which measures the similarity in term of distance between each leaf and a landmark leaf. It allows approximating the visibility requests to extract the leaves that will be used to calculate the amount of indirect illumination exchanged between neighbor leaves. Our approach allows efficiently treat the light exchanges in the scene of a forest, it allows a fast computation and produces images of good visual quality, all this takes advantage of the immense power of computation of the GPU.
S-pairing in neutron matter: I. Correlated basis function theory
International Nuclear Information System (INIS)
Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.
2008-01-01
S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions
Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.
Kumudha, P; Venkatesan, R
Effective prediction of software modules, those that are prone to defects, will enable software developers to achieve efficient allocation of resources and to concentrate on quality assurance activities. The process of software development life cycle basically includes design, analysis, implementation, testing, and release phases. Generally, software testing is a critical task in the software development process wherein it is to save time and budget by detecting defects at the earliest and deliver a product without defects to the customers. This testing phase should be carefully operated in an effective manner to release a defect-free (bug-free) software product to the customers. In order to improve the software testing process, fault prediction methods identify the software parts that are more noted to be defect-prone. This paper proposes a prediction approach based on conventional radial basis function neural network (RBFNN) and the novel adaptive dimensional biogeography based optimization (ADBBO) model. The developed ADBBO based RBFNN model is tested with five publicly available datasets from the NASA data program repository. The computed results prove the effectiveness of the proposed ADBBO-RBFNN classifier approach with respect to the considered metrics in comparison with that of the early predictors available in the literature for the same datasets.
Directory of Open Access Journals (Sweden)
Tatar Afshin
2016-03-01
Full Text Available Raw natural gases usually contain water. It is very important to remove the water from these gases through dehydration processes due to economic reasons and safety considerations. One of the most important methods for water removal from these gases is using dehydration units which use Triethylene glycol (TEG. The TEG concentration at which all water is removed and dew point characteristics of mixture are two important parameters, which should be taken into account in TEG dehydration system. Hence, developing a reliable and accurate model to predict the performance of such a system seems to be very important in gas engineering operations. This study highlights the use of intelligent modeling techniques such as Multilayer perceptron (MLP and Radial Basis Function Neural Network (RBF-ANN to predict the equilibrium water dew point in a stream of natural gas based on the TEG concentration of stream and contractor temperature. Literature data set used in this study covers temperatures from 10 °C to 80 °C and TEG concentrations from 90.000% to 99.999%. Results showed that both models are accurate in prediction of experimental data and the MLP model gives more accurate predictions compared to RBF model.
Mohamed Yacin, S; Srinivasa Chakravarthy, V; Manivannan, M
2011-11-01
Extraction of extra-cardiac information from photoplethysmography (PPG) signal is a challenging research problem with significant clinical applications. In this study, radial basis function neural network (RBFNN) is used to reconstruct the gastric myoelectric activity (GMA) slow wave from finger PPG signal. Finger PPG and GMA (measured using Electrogastrogram, EGG) signals were acquired simultaneously at the sampling rate of 100 Hz from ten healthy subjects. Discrete wavelet transform (DWT) was used to extract slow wave (0-0.1953 Hz) component from the finger PPG signal; this slow wave PPG was used to reconstruct EGG. A RBFNN is trained on signals obtained from six subjects in both fasting and postprandial conditions. The trained network is tested on data obtained from the remaining four subjects. In the earlier study, we have shown the presence of GMA information in finger PPG signal using DWT and cross-correlation method. In this study, we explicitly reconstruct gastric slow wave from finger PPG signal by the proposed RBFNN-based method. It was found that the network-reconstructed slow wave provided significantly higher (P wave than the correlation obtained (≈0.7) between the PPG slow wave from DWT and the EEG slow wave. Our results showed that a simple finger PPG signal can be used to reconstruct gastric slow wave using RBFNN method.
A Data Forward Stepwise Fitting Algorithm Based on Orthogonal Function System
Directory of Open Access Journals (Sweden)
Li Han-Ju
2017-01-01
Full Text Available Data fitting is the main method of functional data analysis, and it is widely used in the fields of economy, social science, engineering technology and so on. Least square method is the main method of data fitting, but the least square method is not convergent, no memory property, big fitting error and it is easy to over fitting. Based on the orthogonal trigonometric function system, this paper presents a data forward stepwise fitting algorithm. This algorithm takes forward stepwise fitting strategy, each time using the nearest base function to fit the residual error generated by the previous base function fitting, which makes the residual mean square error minimum. In this paper, we theoretically prove the convergence, the memory property and the fitting error diminishing character for the algorithm. Experimental results show that the proposed algorithm is effective, and the fitting performance is better than that of the least square method and the forward stepwise fitting algorithm based on the non-orthogonal function system.
A hybrid radial basis function-pseudospectral method for thermal convection in a 3-D spherical shell
Wright, G. B.
2010-07-01
A novel hybrid spectral method that combines radial basis function (RBF) and Chebyshev pseudospectral methods in a "2 + 1" approach is presented for numerically simulating thermal convection in a 3-D spherical shell. This is the first study to apply RBFs to a full 3-D physical model in spherical geometry. In addition to being spectrally accurate, RBFs are not defined in terms of any surface-based coordinate system such as spherical coordinates. As a result, when used in the lateral directions, as in this study, they completely circumvent the pole issue with the further advantage that nodes can be "scattered" over the surface of a sphere. In the radial direction, Chebyshev polynomials are used, which are also spectrally accurate and provide the necessary clustering near the boundaries to resolve boundary layers. Applications of this new hybrid methodology are given to the problem of convection in the Earth\\'s mantle, which is modeled by a Boussinesq fluid at infinite Prandtl number. To see whether this numerical technique warrants further investigation, the study limits itself to an isoviscous mantle. Benchmark comparisons are presented with other currently used mantle convection codes for Rayleigh number (Ra) 7 × 10^{3} and 10^{5}. Results from a Ra = 10^{6} simulation are also given. The algorithmic simplicity of the code (mostly due to RBFs) allows it to be written in less than 400 lines of MATLAB and run on a single workstation. We find that our method is very competitive with those currently used in the literature. Copyright 2010 by the American Geophysical Union.
International Nuclear Information System (INIS)
Muehlenbruch, Georg; Das, Marco; Hohl, Christian; Wildberger, Joachim E.; Guenther, Rolf W.; Mahnken, Andreas H.; Rinck, Daniel; Flohr, Thomas G.; Koos, Ralf; Knackstedt, Christian
2006-01-01
The purpose was to evaluate a new semi-automated 3D region-growing segmentation algorithm for functional analysis of the left ventricle in multislice CT (MSCT) of the heart. Twenty patients underwent contrast-enhanced MSCT of the heart (collimation 16 x 0.75 mm; 120 kV; 550 mAseff). Multiphase image reconstructions with 1-mm axial slices and 8-mm short-axis slices were performed. Left ventricular volume measurements (end-diastolic volume, end-systolic volume, ejection fraction and stroke volume) from manually drawn endocardial contours in the short axis slices were compared to semi-automated region-growing segmentation of the left ventricle from the 1-mm axial slices. The post-processing-time for both methods was recorded. Applying the new region-growing algorithm in 13/20 patients (65%), proper segmentation of the left ventricle was feasible. In these patients, the signal-to-noise ratio was higher than in the remaining patients (3.2±1.0 vs. 2.6±0.6). Volume measurements of both segmentation algorithms showed an excellent correlation (all P≤0.0001); the limits of agreement for the ejection fraction were 2.3±8.3 ml. In the patients with proper segmentation the mean post-processing time using the region-growing algorithm was diminished by 44.2%. On the basis of a good contrast-enhanced data set, a left ventricular volume analysis using the new semi-automated region-growing segmentation algorithm is technically feasible, accurate and more time-effective. (orig.)
A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment
Wu, Wenyan; Westra, Seth; Leonard, Michael
2017-04-01
Storm surge is a significant contributor to flooding in coastal and estuarine regions, especially when it coincides with other flood producing mechanisms, such as extreme rainfall. Therefore, storm surge has always been a research focus in coastal flood risk assessment. Often numerical models have been developed to understand storm surge events for risk assessment (Kumagai et al. 2016; Li et al. 2016; Zhang et al. 2016) (Bastidas et al. 2016; Bilskie et al. 2016; Dalledonne and Mayerle 2016; Haigh et al. 2014; Kodaira et al. 2016; Lapetina and Sheng 2015), and assess how these events may change or evolve in the future (Izuru et al. 2015; Oey and Chou 2016). However, numeric models often require a lot of input information and difficulties arise when there are not sufficient data available (Madsen et al. 2015). Alternative, statistical methods have been used to forecast storm surge based on historical data (Hashemi et al. 2016; Kim et al. 2016) or to examine the long term trend in the change of storm surge events, especially under climate change (Balaguru et al. 2016; Oh et al. 2016; Rueda et al. 2016). In these studies, often the peak of surge events is used, which result in the loss of dynamic information within a tidal cycle or surge event (i.e. a time series of storm surge values). In this study, we propose an alternative basis function (BF) based approach to examine the different attributes (e.g. peak and durations) of storm surge events using historical data. Two simple two-parameter BFs were used: the exponential function and the triangular function. High quality hourly storm surge record from 15 tide gauges around Australia were examined. It was found that there are significantly location and seasonal variability in the peak and duration of storm surge events, which provides additional insights in coastal flood risk. In addition, the simple form of these BFs allows fast simulation of storm surge events and minimises the complexity of joint probability
Developing the algorithm for assessing the competitive abilities of functional foods in marketing
Directory of Open Access Journals (Sweden)
Nilova Liudmila
2017-01-01
Full Text Available A thorough analysis of competitive factors of functional foods has made it possible to develop an algorithm for assessing the competitive factors of functional food products, with respect to their essential consumer features — quality, safety and functionality. Questionnaires filled in by experts and the published results of surveys of consumers from different countries were used to help select the essential consumer features in functional foods. A “desirability of consumer features” model triangle, based on functional bread and bakery products, was constructed with the use of the Harrington function.
DEFF Research Database (Denmark)
Alibes, A.; Nadra, A.; De Masi, Federico
2010-01-01
diseases such as aniridia. The validity of FoldX to deal with protein-DNA interactions was demonstrated by showing that high levels of accuracy can be achieved for mutations affecting these interactions. Also we showed that protein-design algorithms can accurately reproduce experimental DNA-binding logos......Quite often a single or a combination of protein mutations is linked to specific diseases. However, distinguishing from sequence information which mutations have real effects in the protein's function is not trivial. Protein design tools are commonly used to explain mutations that affect protein...... stability, or protein-protein interaction, but not for mutations that could affect protein-DNA binding. Here, we used the protein design algorithm FoldX to model all known missense mutations in the paired box domain of Pax6, a highly conserved transcription factor involved in eye development and in several...
Directory of Open Access Journals (Sweden)
Gisele Tessari Santos
2009-08-01
Full Text Available A large number of financial engineering problems involve non-linear equations with non-linear or time-dependent boundary conditions. Despite available analytical solutions, many classical and modified forms of the well-known Black-Scholes (BS equation require fast and accurate numerical solutions. This work introduces the radial basis function (RBF method as applied to the solution of the BS equation with non-linear boundary conditions, related to path-dependent barrier options. Furthermore, the diffusional method for solving advective-diffusive equations is explored as to its effectiveness to solve BS equations. Cubic and Thin-Plate Spline (TPS radial basis functions were employed and evaluated as to their effectiveness to solve barrier option problems. The numerical results, when compared against analytical solutions, allow affirming that the RBF method is very accurate and easy to be implemented. When the RBF method is applied, the diffusional method leads to the same results as those obtained from the classical formulation of Black-Scholes equation.Muitos problemas de engenharia financeira envolvem equações não-lineares com condições de contorno não-lineares ou dependentes do tempo. Apesar de soluções analíticas disponíveis, várias formas clássicas e modificadas da conhecida equação de Black-Scholes (BS requerem soluções numéricas rápidas e acuradas. Este trabalho introduz o método de função de base radial (RBF aplicado à solução da equação BS com condições de contorno não-lineares relacionadas a opções de barreira dependentes da trajetória. Além disso, explora-se o método difusional para solucionar equações advectivo-difusivas quanto à sua efetividade para solucionar equações BS. Utilizam-se funções de base radial Cúbica e Thin-Plate Spline (TPS, aplicadas à solução de problemas de opções de barreiras. Os resultados numéricos, quando comparados com as soluções analíticas, permitem afirmar
International Nuclear Information System (INIS)
Casa, L D C; Krueger, P S
2013-01-01
Unstructured three-dimensional fluid velocity data were interpolated using Gaussian radial basis function (RBF) interpolation. Data were generated to imitate the spatial resolution and experimental uncertainty of a typical implementation of defocusing digital particle image velocimetry. The velocity field associated with a steadily rotating infinite plate was simulated to provide a bounded, fully three-dimensional analytical solution of the Navier–Stokes equations, allowing for robust analysis of the interpolation accuracy. The spatial resolution of the data (i.e. particle density) and the number of RBFs were varied in order to assess the requirements for accurate interpolation. Interpolation constraints, including boundary conditions and continuity, were included in the error metric used for the least-squares minimization that determines the interpolation parameters to explore methods for improving RBF interpolation results. Even spacing and logarithmic spacing of RBF locations were also investigated. Interpolation accuracy was assessed using the velocity field, divergence of the velocity field, and viscous torque on the rotating boundary. The results suggest that for the present implementation, RBF spacing of 0.28 times the boundary layer thickness is sufficient for accurate interpolation, though theoretical error analysis suggests that improved RBF positioning may yield more accurate results. All RBF interpolation results were compared to standard Gaussian weighting and Taylor expansion interpolation methods. Results showed that RBF interpolation improves interpolation results compared to the Taylor expansion method by 60% to 90% based on the average squared velocity error and provides comparable velocity results to Gaussian weighted interpolation in terms of velocity error. RMS accuracy of the flow field divergence was one to two orders of magnitude better for the RBF interpolation compared to the other two methods. RBF interpolation that was applied to
A Constrained Genetic Algorithm with Adaptively Defined Fitness Function in MRS Quantification
Papakostas, G. A.; Karras, D. A.; Mertzios, B. G.; Graveron-Demilly, D.; van Ormondt, D.
MRS Signal quantification is a rather involved procedure and has attracted the interest of the medical engineering community, regarding the development of computationally efficient methodologies. Significant contributions based on Computational Intelligence tools, such as Neural Networks (NNs), demonstrated a good performance but not without drawbacks already discussed by the authors. On the other hand preliminary application of Genetic Algorithms (GA) has already been reported in the literature by the authors regarding the peak detection problem encountered in MRS quantification using the Voigt line shape model. This paper investigates a novel constrained genetic algorithm involving a generic and adaptively defined fitness function which extends the simple genetic algorithm methodology in case of noisy signals. The applicability of this new algorithm is scrutinized through experimentation in artificial MRS signals interleaved with noise, regarding its signal fitting capabilities. Although extensive experiments with real world MRS signals are necessary, the herein shown performance illustrates the method's potential to be established as a generic MRS metabolites quantification procedure.
Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional
International Nuclear Information System (INIS)
Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro
2011-01-01
A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.
Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman
2008-04-24
We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results
DEFF Research Database (Denmark)
Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide
. This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...
Xie, Jianwen; Douglas, Pamela K; Wu, Ying Nian; Brody, Arthur L; Anderson, Ariana E
2017-04-15
Brain networks in fMRI are typically identified using spatial independent component analysis (ICA), yet other mathematical constraints provide alternate biologically-plausible frameworks for generating brain networks. Non-negative matrix factorization (NMF) would suppress negative BOLD signal by enforcing positivity. Spatial sparse coding algorithms (L1 Regularized Learning and K-SVD) would impose local specialization and a discouragement of multitasking, where the total observed activity in a single voxel originates from a restricted number of possible brain networks. The assumptions of independence, positivity, and sparsity to encode task-related brain networks are compared; the resulting brain networks within scan for different constraints are used as basis functions to encode observed functional activity. These encodings are then decoded using machine learning, by using the time series weights to predict within scan whether a subject is viewing a video, listening to an audio cue, or at rest, in 304 fMRI scans from 51 subjects. The sparse coding algorithm of L1 Regularized Learning outperformed 4 variations of ICA (pcoding algorithms. Holding constant the effect of the extraction algorithm, encodings using sparser spatial networks (containing more zero-valued voxels) had higher classification accuracy (pcoding algorithms suggests that algorithms which enforce sparsity, discourage multitasking, and promote local specialization may capture better the underlying source processes than those which allow inexhaustible local processes such as ICA. Negative BOLD signal may capture task-related activations. Copyright © 2017 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Rowbottom, Carl Graham [Joint Department of Physics, Institute of Cancer Research and the Royal Marsden NHS Trust, Sutton, Surrey (United Kingdom); Webb, Steve [Joint Department of Physics, Institute of Cancer Research and the Royal Marsden NHS Trust, Sutton, Surrey (United Kingdom)
2002-01-07
The successful implementation of downhill search engines in radiotherapy optimization algorithms depends on the absence of local minima in the search space. Such techniques are much faster than stochastic optimization methods but may become trapped in local minima if they exist. A technique known as 'configuration space analysis' was applied to examine the search space of cost functions used in radiotherapy beam-weight optimization algorithms. A downhill-simplex beam-weight optimization algorithm was run repeatedly to produce a frequency distribution of final cost values. By plotting the frequency distribution as a function of final cost, the existence of local minima can be determined. Common cost functions such as the quadratic deviation of dose to the planning target volume (PTV), integral dose to organs-at-risk (OARs), dose-threshold and dose-volume constraints for OARs were studied. Combinations of the cost functions were also considered. The simple cost function terms such as the quadratic PTV dose and integral dose to OAR cost function terms are not susceptible to local minima. In contrast, dose-threshold and dose-volume OAR constraint cost function terms are able to produce local minima in the example case studied. (author)
A Dynamic Multistage Hybrid Swarm Intelligence Optimization Algorithm for Function Optimization
Directory of Open Access Journals (Sweden)
Daqing Wu
2012-01-01
Full Text Available A novel dynamic multistage hybrid swarm intelligence optimization algorithm is introduced, which is abbreviated as DM-PSO-ABC. The DM-PSO-ABC combined the exploration capabilities of the dynamic multiswarm particle swarm optimizer (PSO and the stochastic exploitation of the cooperative artificial bee colony algorithm (CABC for solving the function optimization. In the proposed hybrid algorithm, the whole process is divided into three stages. In the first stage, a dynamic multiswarm PSO is constructed to maintain the population diversity. In the second stage, the parallel, positive feedback of CABC was implemented in each small swarm. In the third stage, we make use of the particle swarm optimization global model, which has a faster convergence speed to enhance the global convergence in solving the whole problem. To verify the effectiveness and efficiency of the proposed hybrid algorithm, various scale benchmark problems are tested to demonstrate the potential of the proposed multistage hybrid swarm intelligence optimization algorithm. The results show that DM-PSO-ABC is better in the search precision, and convergence property and has strong ability to escape from the local suboptima when compared with several other peer algorithms.
A deterministic algorithm for fitting a step function to a weighted point-set
Fournier, Hervé
2013-01-01
Given a set of n points in the plane, each point having a positive weight, and an integer k>0, we present an optimal O(nlogn)-time deterministic algorithm to compute a step function with k steps that minimizes the maximum weighted vertical distance
Goldengorin, B.; Ghosh, D.
Maximization of submodular functions on a ground set is a NP-hard combinatorial optimization problem. Data correcting algorithms are among the several algorithms suggested for solving this problem exactly and approximately. From the point of view of Hasse diagrams data correcting algorithms use
Wang, Qianqian; Zhao, Jing; Gong, Yong; Hao, Qun; Peng, Zhong
2017-11-20
A hybrid artificial bee colony (ABC) algorithm inspired by the best-so-far solution and bacterial chemotaxis was introduced to optimize the parameters of the five-parameter bidirectional reflectance distribution function (BRDF) model. To verify the performance of the hybrid ABC algorithm, we measured BRDF of three kinds of samples and simulated the undetermined parameters of the five-parameter BRDF model using the hybrid ABC algorithm and the genetic algorithm, respectively. The experimental results demonstrate that the hybrid ABC algorithm outperforms the genetic algorithm in convergence speed, accuracy, and time efficiency under the same conditions.
International Nuclear Information System (INIS)
Feng Weiguo; Wang Hongwei; Wu Xiang
1989-12-01
Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs
Czech Academy of Sciences Publication Activity Database
Bucha, B.; Bezděk, Aleš; Sebera, Josef; Janak, J.
2015-01-01
Roč. 36, č. 6 (2015), s. 773-801 ISSN 0169-3298 R&D Projects: GA ČR GA13-36843S Grant - others:SAV(SK) VEGA 1/0954/15 Institutional support: RVO:67985815 Keywords : spherical radial basis functions * spherical harmonics * geopotential Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 3.622, year: 2015
Piret, Cé cile
2012-01-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper
Kayri, Murat
2015-01-01
The objective of this study is twofold: (1) to investigate the factors that affect the success of university students by employing two artificial neural network methods (i.e., multilayer perceptron [MLP] and radial basis function [RBF]); and (2) to compare the effects of these methods on educational data in terms of predictive ability. The…
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Bae, C.H.; Blaabjerg, Frede
2005-01-01
A scheme to estimate the moment of inertia in a servo motor drive system at very low speed is proposed. The typical speed estimation scheme used in most servo systems operated at low speed is highly sensitive to variations in the moment of inertia. An observer that uses a radial basis function...
Joosten, S.M.M.; van den Berg, Klaas; Mulder, F.
1990-01-01
Aan de Universiteit Twente is de afgelopen vier jaar geëxperimenteerd met een inleidende kursus in het programmeren, op basis van funktioneel programmeren. Dit artikel gaat in op het waarom van deze aanpak, de doelstelling van het programmeeronderwijs, de opzet en inhoud van de kursusonderdelen en
Metropolis-Hastings Algorithms in Function Space for Bayesian Inverse Problems
Ernst, Oliver
2015-01-07
We consider Markov Chain Monte Carlo methods adapted to a Hilbert space setting. Such algorithms occur in Bayesian inverse problems where the solution is a probability measure on a function space according to which one would like to integrate or sample. We focus on Metropolis-Hastings algorithms and, in particular, we introduce and analyze a generalization of the existing pCN-proposal. This new proposal allows to exploit the geometry or anisotropy of the target measure which in turn might improve the statistical efficiency of the corresponding MCMC method. Numerical experiments for a real-world problem confirm the improvement.
Metropolis-Hastings Algorithms in Function Space for Bayesian Inverse Problems
Ernst, Oliver
2015-01-01
We consider Markov Chain Monte Carlo methods adapted to a Hilbert space setting. Such algorithms occur in Bayesian inverse problems where the solution is a probability measure on a function space according to which one would like to integrate or sample. We focus on Metropolis-Hastings algorithms and, in particular, we introduce and analyze a generalization of the existing pCN-proposal. This new proposal allows to exploit the geometry or anisotropy of the target measure which in turn might improve the statistical efficiency of the corresponding MCMC method. Numerical experiments for a real-world problem confirm the improvement.
Pavlov, V. M.
2017-07-01
The problem of calculating complete synthetic seismograms from a point dipole with an arbitrary seismic moment tensor in a plane parallel medium composed of homogeneous elastic isotropic layers is considered. It is established that the solutions of the system of ordinary differential equations for the motion-stress vector have a reciprocity property, which allows obtaining a compact formula for the derivative of the motion vector with respect to the source depth. The reciprocity theorem for Green's functions with respect to the interchange of the source and receiver is obtained for a medium with cylindrical boundary. The differentiation of Green's functions with respect to the coordinates of the source leads to the same calculation formulas as the algorithm developed in the previous work (Pavlov, 2013). A new algorithm appears when the derivatives with respect to the horizontal coordinates of the source is replaced by the derivatives with respect to the horizontal coordinates of the receiver (with the minus sign). This algorithm is more transparent, compact, and economic than the previous one. It requires calculating the wavenumbers associated with Bessel function's roots of order 0 and order 1, whereas the previous algorithm additionally requires the second order roots.
Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar
2018-06-01
The present study aims at predicting and optimizing exergetic efficiency of TiO2-Al2O3/water nanofluid at different Reynolds numbers, volume fractions and twisted ratios using Artificial Neural Networks (ANN) and experimental data. Central Composite Design (CCD) and cascade Radial Basis Function (RBF) were used to display the significant levels of the analyzed factors on the exergetic efficiency. The size of TiO2-Al2O3/water nanocomposite was 20-70 nm. The parameters of ANN model were adapted by a training algorithm of radial basis function (RBF) with a wide range of experimental data set. Total mean square error and correlation coefficient were used to evaluate the results which the best result was obtained from double layer perceptron neural network with 30 neurons in which total Mean Square Error(MSE) and correlation coefficient (R2) were equal to 0.002 and 0.999, respectively. This indicated successful prediction of the network. Moreover, the proposed equation for predicting exergetic efficiency was extremely successful. According to the optimal curves, the optimum designing parameters of double pipe heat exchanger with inner twisted tape and nanofluid under the constrains of exergetic efficiency 0.937 are found to be Reynolds number 2500, twisted ratio 2.5 and volume fraction( v/v%) 0.05.
Development of fuzzy algorithm with learning function for nuclear steam generator level control
International Nuclear Information System (INIS)
Park, Gee Yong; Seong, Poong Hyun
1993-01-01
A fuzzy algorithm with learning function is applied to the steam generator level control of nuclear power plant. This algorithm can make its rule base and membership functions suited for steam generator level control by use of the data obtained from the control actions of a skilled operator or of other controllers (i.e., PID controller). The rule base of fuzzy controller with learning function is divided into two parts. One part of the rule base is provided to level control of steam generator at low power level (0 % - 30 % of full power) and the other to level control at high power level (30 % - 100 % of full power). Response time of steam generator level control at low power range with this rule base is shown to be shorter than that of fuzzy controller with direct inference. (Author)
Simulation of 4-turn algorithms for reconstructing lattice optic functions from orbit measurements
International Nuclear Information System (INIS)
Koscielniak, S.; Iliev, A.
1994-06-01
We describe algorithms for reconstructing tune, closed-orbit, beta-function and phase advance from four individual turns of beam orbit acquisition data, under the assumption of coherent, almost linear and uncoupled betatron oscillations. To estimate the beta-function at, and phase advance between, position monitors, we require at least one anchor location consisting of two monitors separated by a drift. The algorithms were submitted to a Monte Carlo analysis to find the likely measurement accuracy of the optics functions in the KAON Factory Booster ring racetrack lattice, assuming beam position monitors with surveying and reading errors, and assuming an imperfect lattice with gradient and surveying errors. Some of the results of this study are reported. (author)
High-frequency asymptotics of the local vertex function. Algorithmic implementations
Energy Technology Data Exchange (ETDEWEB)
Tagliavini, Agnese; Wentzell, Nils [Institut fuer Theoretische Physik, Eberhard Karls Universitaet, 72076 Tuebingen (Germany); Institute for Solid State Physics, Vienna University of Technology, 1040 Vienna (Austria); Li, Gang; Rohringer, Georg; Held, Karsten; Toschi, Alessandro [Institute for Solid State Physics, Vienna University of Technology, 1040 Vienna (Austria); Taranto, Ciro [Institute for Solid State Physics, Vienna University of Technology, 1040 Vienna (Austria); Max Planck Institute for Solid State Research, D-70569 Stuttgart (Germany); Andergassen, Sabine [Institut fuer Theoretische Physik, Eberhard Karls Universitaet, 72076 Tuebingen (Germany)
2016-07-01
Local vertex functions are a crucial ingredient of several forefront many-body algorithms in condensed matter physics. However, the full treatment of their frequency dependence poses a huge limitation to the numerical performance. A significant advancement requires an efficient treatment of the high-frequency asymptotic behavior of the vertex functions. We here provide a detailed diagrammatic analysis of the high-frequency asymptotic structures and their physical interpretation. Based on these insights, we propose a frequency parametrization, which captures the whole high-frequency asymptotics for arbitrary values of the local Coulomb interaction and electronic density. We present its algorithmic implementation in many-body solvers based on parquet-equations as well as functional renormalization group schemes and assess its validity by comparing our results for the single impurity Anderson model with exact diagonalization calculations.
International Nuclear Information System (INIS)
Gougam, L.A.; Taibi, H.; Chikhi, A.; Mekideche-Chafa, F.
2009-01-01
The problem of determining the analytical description for a set of data arises in numerous sciences and applications and can be referred to as data modeling or system identification. Neural networks are a convenient means of representation because they are known to be universal approximates that can learn data. The desired task is usually obtained by a learning procedure which consists in adjusting the s ynaptic weights . For this purpose, many learning algorithms have been proposed to update these weights. The convergence for these learning algorithms is a crucial criterion for neural networks to be useful in different applications. The aim of the present contribution is to use a training algorithm for feed forward wavelet networks used for function approximation. The training is based on the minimization of the least-square cost function. The minimization is performed by iterative second order gradient-based methods. We make use of the Levenberg-Marquardt algorithm to train the architecture of the chosen network and, then, the training procedure starts with a simple gradient method which is followed by a BFGS (Broyden, Fletcher, Glodfarb et Shanno) algorithm. The performances of the two algorithms are then compared. Our method is then applied to determine the energy of the ground state associated to a sextic potential. In fact, the Schrodinger equation does not always admit an exact solution and one has, generally, to solve it numerically. To this end, the sextic potential is, firstly, approximated with the above outlined wavelet network and, secondly, implemented into a numerical scheme. Our results are in good agreement with the ones found in the literature.
An editor for the maintenance and use of a bank of contracted Gaussian basis set functions
International Nuclear Information System (INIS)
Taurian, O.E.
1984-01-01
A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)
Cellular and molecular basis of chronic constipation: Taking the functional/idiopathic label out
Bassotti, Gabrio; Villanacci, Vincenzo; Creƫoiu, Dragos; Creƫoiu, Sanda Maria; Becheanu, Gabriel
2013-01-01
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called “functional” or “idiopathic” disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable a...
Bisele, Maria; Bencsik, Martin; Lewis, Martin G C; Barnett, Cleveland T
2017-01-01
Assessment methods in human locomotion often involve the description of normalised graphical profiles and/or the extraction of discrete variables. Whilst useful, these approaches may not represent the full complexity of gait data. Multivariate statistical methods, such as Principal Component Analysis (PCA) and Discriminant Function Analysis (DFA), have been adopted since they have the potential to overcome these data handling issues. The aim of the current study was to develop and optimise a specific machine learning algorithm for processing human locomotion data. Twenty participants ran at a self-selected speed across a 15m runway in barefoot and shod conditions. Ground reaction forces (BW) and kinematics were measured at 1000 Hz and 100 Hz, respectively from which joint angles (°), joint moments (N.m.kg-1) and joint powers (W.kg-1) for the hip, knee and ankle joints were calculated in all three anatomical planes. Using PCA and DFA, power spectra of the kinematic and kinetic variables were used as a training database for the development of a machine learning algorithm. All possible combinations of 10 out of 20 participants were explored to find the iteration of individuals that would optimise the machine learning algorithm. The results showed that the algorithm was able to successfully predict whether a participant ran shod or barefoot in 93.5% of cases. To the authors' knowledge, this is the first study to optimise the development of a machine learning algorithm.
Lin, Nan; Jiang, Junhai; Guo, Shicheng; Xiong, Momiao
2015-01-01
Due to the advancement in sensor technology, the growing large medical image data have the ability to visualize the anatomical changes in biological tissues. As a consequence, the medical images have the potential to enhance the diagnosis of disease, the prediction of clinical outcomes and the characterization of disease progression. But in the meantime, the growing data dimensions pose great methodological and computational challenges for the representation and selection of features in image cluster analysis. To address these challenges, we first extend the functional principal component analysis (FPCA) from one dimension to two dimensions to fully capture the space variation of image the signals. The image signals contain a large number of redundant features which provide no additional information for clustering analysis. The widely used methods for removing the irrelevant features are sparse clustering algorithms using a lasso-type penalty to select the features. However, the accuracy of clustering using a lasso-type penalty depends on the selection of the penalty parameters and the threshold value. In practice, they are difficult to determine. Recently, randomized algorithms have received a great deal of attentions in big data analysis. This paper presents a randomized algorithm for accurate feature selection in image clustering analysis. The proposed method is applied to both the liver and kidney cancer histology image data from the TCGA database. The results demonstrate that the randomized feature selection method coupled with functional principal component analysis substantially outperforms the current sparse clustering algorithms in image cluster analysis. PMID:26196383
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-01
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-21
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
DEFF Research Database (Denmark)
Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao
2017-01-01
for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative......Although the correlation between cognition and physical function has been well studied in the general population, the genetic and environmental nature of the correlation has been rarely investigated. We conducted a classical twin analysis on cognitive and physical function, including forced...... and cognitive function. Bivariate analysis showed mildly positively genetic correlations between cognition and FEV1, r G = 0.23 [95% CI: 0.03, 0.62], as well as FVC, r G = 0.35 [95% CI: 0.06, 1.00]. We found that FTSST and cognition presented very high common environmental correlation, r C = -1.00 [95% CI: -1...
The genetic basis for altered blood vessel function in disease: large artery stiffening
Directory of Open Access Journals (Sweden)
Alex Agrotis
2005-12-01
Full Text Available Alex AgrotisThe Cell Biology Laboratory, Baker Heart Research Institute, Melbourne, Victoria, AustraliaAbstract: The progressive stiffening of the large arteries in humans that occurs during aging constitutes a potential risk factor for increased cardiovascular morbidity and mortality, and is accompanied by an elevation in systolic blood pressure and pulse pressure. While the underlying basis for these changes remains to be fully elucidated, factors that are able to influence the structure and composition of the extracellular matrix and the way it interacts with arterial smooth muscle cells could profoundly affect the properties of the large arteries. Thus, while age and sex represent important factors contributing to large artery stiffening, the variation in growth-stimulating factors and those that modulate extracellular production and homeostasis are also being increasingly recognized to play a key role in the process. Therefore, elucidating the contribution that genetic variation makes to large artery stiffening could ultimately provide the basis for clinical strategies designed to regulate the process for therapeutic benefit.Keywords: arterial stiffness, genes, polymorphism, extracellular matrix proteins
The Functional Basis of Wing Patterning in Heliconius Butterflies: The Molecules Behind Mimicry
Kronforst, Marcus R.; Papa, Riccardo
2015-01-01
Wing-pattern mimicry in butterflies has provided an important example of adaptation since Charles Darwin and Alfred Russell Wallace proposed evolution by natural selection >150 years ago. The neotropical butterfly genus Heliconius played a central role in the development of mimicry theory and has since been studied extensively in the context of ecology and population biology, behavior, and mimicry genetics. Heliconius species are notable for their diverse color patterns, and previous crossing experiments revealed that much of this variation is controlled by a small number of large-effect, Mendelian switch loci. Recent comparative analyses have shown that the same switch loci control wing-pattern diversity throughout the genus, and a number of these have now been positionally cloned. Using a combination of comparative genetic mapping, association tests, and gene expression analyses, variation in red wing patterning throughout Heliconius has been traced back to the action of the transcription factor optix. Similarly, the signaling ligand WntA has been shown to control variation in melanin patterning across Heliconius and other butterflies. Our understanding of the molecular basis of Heliconius mimicry is now providing important insights into a variety of additional evolutionary phenomena, including the origin of supergenes, the interplay between constraint and evolvability, the genetic basis of convergence, the potential for introgression to facilitate adaptation, the mechanisms of hybrid speciation in animals, and the process of ecological speciation. PMID:25953905
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao
2017-02-21
In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole spectrum of protein-ligand interaction scoring functions have been developed. Regardless of their technical difference, scoring functions all need data sets combining protein-ligand complex structures and binding affinity data for parametrization and validation. However, data sets of this kind used to be rather limited in terms of size and quality. On the other hand, standard metrics for evaluating scoring function used to be ambiguous. Scoring functions are often tested in molecular docking or even virtual screening trials, which do not directly reflect the genuine quality of scoring functions. Collectively, these underlying obstacles have impeded the invention of more advanced scoring functions. In this Account, we describe our long-lasting efforts to overcome these obstacles, which involve two related projects. On the first project, we have created the PDBbind database. It is the first database that systematically annotates the protein-ligand complexes in the Protein Data Bank (PDB) with experimental binding data. This database has been updated annually since its first public release in 2004. The latest release (version 2016) provides binding data for 16 179 biomolecular complexes in PDB. Data sets provided by PDBbind have been applied to many computational and statistical studies on protein-ligand interaction and various subjects. In particular, it has become a major data resource for scoring function development. On the second project, we have established the Comparative Assessment of Scoring Functions (CASF) benchmark for scoring function evaluation. Our key idea is to decouple the "scoring" process from the "sampling" process, so scoring functions can be tested in a relatively pure context to reflect their quality. In our
Development of a Technical Basis and Guidance for Advanced SMR Function Allocation
Energy Technology Data Exchange (ETDEWEB)
Jacques Hugo; David Gertman; Jeffrey Joe; Ronal Farris; April Whaley; Heather Medema
2013-09-01
This report presents the results from three key activities for FY13 that influence the definition of new concepts of operations for advanced Small Modular Reactors (AdvSMR: a) the development of a framework for the analysis of the functional environmental, and structural attributes, b) the effect that new technologies and operational concepts would have on the way functions are allocated to humans or machines or combinations of the two, and c) the relationship between new concepts of operations, new function allocations, and human performance requirements.
An Allometric Algorithm for Fractal-Based Cobb-Douglas Function of Geographical Systems
Directory of Open Access Journals (Sweden)
Hongyu Luo
2014-01-01
Full Text Available The generalized Cobb-Douglas production function has been derived from a general input-output relation based on fractality assumptions. It was proved to be a useful self-affine model for geographical analysis. However, the ordinary least square calculation is always an ineffectual method for the Cobb-Douglas modeling because of the multicollinearity in the logarithmic linear regression. In this paper, a novel approach is proposed to build the geographical Cobb-Douglas models. Combining the concept of allometric scaling with the linear regression technique, we obtain a simple algorithm that can be employed to estimate the parameters of the Cobb-Douglas function. As a case, the algorithm and models are applied to the public transportation of China’s cities, and the results validate the allometric algorithm. A conclusion can be drawn that the allometric analysis is an effective way of modeling geographical systems with the general Cobb-Douglas function. This study is significant for integrating the notions of allometry, fractals, and scaling into a new framework to form a quantitative methodology of spatial analysis.
International Nuclear Information System (INIS)
Child, M S; Hiyama, M
2007-01-01
It is shown that the inherent arbitrariness in the construction of basis functions in quantum defect theory allows a choice that eliminates the occurrence of false roots of the quantization condition, with energies below the minimum of the channel potential. Comparisons are given with the well-known Ham procedure and with the more recent generalization to arbitrary fields by Jungen and Texier. The significance of the results for ab initio R matrix/MQDT studies is also discussed
Lin, Chuang; Wang, Binghui; Jiang, Ning; Farina, Dario
2018-04-01
Objective. This paper proposes a novel simultaneous and proportional multiple degree of freedom (DOF) myoelectric control method for active prostheses. Approach. The approach is based on non-negative matrix factorization (NMF) of surface EMG signals with the inclusion of sparseness constraints. By applying a sparseness constraint to the control signal matrix, it is possible to extract the basis information from arbitrary movements (quasi-unsupervised approach) for multiple DOFs concurrently. Main Results. In online testing based on target hitting, able-bodied subjects reached a greater throughput (TP) when using sparse NMF (SNMF) than with classic NMF or with linear regression (LR). Accordingly, the completion time (CT) was shorter for SNMF than NMF or LR. The same observations were made in two patients with unilateral limb deficiencies. Significance. The addition of sparseness constraints to NMF allows for a quasi-unsupervised approach to myoelectric control with superior results with respect to previous methods for the simultaneous and proportional control of multi-DOF. The proposed factorization algorithm allows robust simultaneous and proportional control, is superior to previous supervised algorithms, and, because of minimal supervision, paves the way to online adaptation in myoelectric control.
Molecular Basis of Cardiac Delayed Rectifier Potassium Channel Function and Pharmacology.
Wu, Wei; Sanguinetti, Michael C
2016-06-01
Human cardiomyocytes express 3 distinct types of delayed rectifier potassium channels. Human ether-a-go-go-related gene (hERG) channels conduct the rapidly activating current IKr; KCNQ1/KCNE1 channels conduct the slowly activating current IKs; and Kv1.5 channels conduct an ultrarapid activating current IKur. Here the authors provide a general overview of the mechanistic and structural basis of ion selectivity, gating, and pharmacology of the 3 types of cardiac delayed rectifier potassium ion channels. Most blockers bind to S6 residues that line the central cavity of the channel, whereas activators interact with the channel at 4 symmetric binding sites outside the cavity. Copyright © 2016 Elsevier Inc. All rights reserved.
Kolmann, Stephen J.; Jordan, Meredith J. T.
2010-02-01
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Kolmann, Stephen J; Jordan, Meredith J T
2010-02-07
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
A Swarm Optimization Algorithm for Multimodal Functions and Its Application in Multicircle Detection
Directory of Open Access Journals (Sweden)
Erik Cuevas
2013-01-01
Full Text Available In engineering problems due to physical and cost constraints, the best results, obtained by a global optimization algorithm, cannot be realized always. Under such conditions, if multiple solutions (local and global are known, the implementation can be quickly switched to another solution without much interrupting the design process. This paper presents a new swarm multimodal optimization algorithm named as the collective animal behavior (CAB. Animal groups, such as schools of fish, flocks of birds, swarms of locusts, and herds of wildebeest, exhibit a variety of behaviors including swarming about a food source, milling around a central location, or migrating over large distances in aligned groups. These collective behaviors are often advantageous to groups, allowing them to increase their harvesting efficiency to follow better migration routes, to improve their aerodynamic, and to avoid predation. In the proposed algorithm, searcher agents emulate a group of animals which interact with each other based on simple biological laws that are modeled as evolutionary operators. Numerical experiments are conducted to compare the proposed method with the state-of-the-art methods on benchmark functions. The proposed algorithm has been also applied to the engineering problem of multi-circle detection, achieving satisfactory results.
Pupil filter design by using a Bessel functions basis at the image plane.
Canales, Vidal F; Cagigal, Manuel P
2006-10-30
Many applications can benefit from the use of pupil filters for controlling the light intensity distribution near the focus of an optical system. Most of the design methods for such filters are based on a second-order expansion of the Point Spread Function (PSF). Here, we present a new procedure for designing radially-symmetric pupil filters. It is more precise than previous procedures as it considers the exact expression of the PSF, expanded as a function of first-order Bessel functions. Furthermore, this new method presents other advantages: the height of the side lobes can be easily controlled, it allows the design of amplitude-only, phase-only or hybrid filters, and the coefficients of the PSF expansion can be directly related to filter parameters. Finally, our procedure allows the design of filters with very different behaviours and optimal performance.
Concepts of soil mapping as a basis for the assessment of soil functions
Baumgarten, Andreas
2014-05-01
Soil mapping systems in Europe have been designed mainly as a tool for the description of soil characteristics from a morphogenetic viewpoint. Contrasting to the American or FAO system, the soil development has been in the main focus of European systems. Nevertheless , recent developments in soil science stress the importance of the functions of soils with respect to the ecosystems. As soil mapping systems usually offer a sound and extensive database, the deduction of soil functions from "classic" mapping parameters can be used for local and regional assessments. According to the used pedo-transfer functions and mapping systems, tailored approaches can be chosen for different applications. In Austria, a system mainly for spatial planning purposes has been developed that will be presented and illustrated by means of best practice examples.
Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias
2007-11-01
The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.
The molecular basis of convergence in hemoglobin function in high-altitude Andean birds
DEFF Research Database (Denmark)
Storz, Jay; Natarajan, Chandrasekhar; Witt, Christopher C.
2016-01-01
Max Perutz predicted that adaptive changes in functional properties of vertebrate hemoglobin (Hb) would typically be attributable to a small number of substitutions at key residue positions (1983, Mol. Biol. Evol.). According to Perutz, amino acid substitutions that can be expected to make especi...
Modeling of the Gross Regional Product on the Basis of Production Functions
Sadovin, Nikolay S.; Kokotkina, Tatiana N.; Barkalova, Tatiana G.; Tsaregorodsev, Evgeny I.
2016-01-01
The article is devoted to elaboration and construction of a static model of macroeconomics in which economics is considered as an unstructured holistic unit, the input of which receives the resources, and the output is the result of the functioning of economics in the form of gross domestic product or gross regional product. Resources are…
Kryven, I.; Röblitz, S; Schütte, C.
2015-01-01
Background: The chemical master equation is the fundamental equation of stochastic chemical kinetics. This differential-difference equation describes temporal evolution of the probability density function for states of a chemical system. A state of the system, usually encoded as a vector, represents
Chae, Kum Ju; Goo, Jin Mo; Ahn, Su Yeon; Yoo, Jin Young; Yoon, Soon Ho
2018-01-01
To evaluate the preference of observers for image quality of chest radiography using the deconvolution algorithm of point spread function (PSF) (TRUVIEW ART algorithm, DRTECH Corp.) compared with that of original chest radiography for visualization of anatomic regions of the chest. Prospectively enrolled 50 pairs of posteroanterior chest radiographs collected with standard protocol and with additional TRUVIEW ART algorithm were compared by four chest radiologists. This algorithm corrects scattered signals generated by a scintillator. Readers independently evaluated the visibility of 10 anatomical regions and overall image quality with a 5-point scale of preference. The significance of the differences in reader's preference was tested with a Wilcoxon's signed rank test. All four readers preferred the images applied with the algorithm to those without algorithm for all 10 anatomical regions (mean, 3.6; range, 3.2-4.0; p chest anatomical structures applied with the deconvolution algorithm of PSF was superior to the original chest radiography.
International Nuclear Information System (INIS)
Keppler, Jan Horst; Meunier, William; Coquentin, Alexandre
2017-01-01
Interconnections for cross-border electricity flows are at the heart of the project to create a common European electricity market. At the time, increase in production from variable renewables clustered during a limited numbers of hours reduces the availability of existing transport infrastructures. This calls for higher levels of optimal interconnection capacity than in the past. In complement to existing scenario-building exercises such as the TYNDP that respond to the challenge of determining optimal levels of infrastructure provision, the present paper proposes a new empirically-based methodology to perform Cost-Benefit analysis for the determination of optimal interconnection capacity, using as an example the French-German cross-border trade. Using a very fine dataset of hourly supply and demand curves (aggregated auction curves) for the year 2014 from the EPEX Spot market, it constructs linearized net export (NEC) and net import demand curves (NIDC) for both countries. This allows assessing hour by hour the welfare impacts for incremental increases in interconnection capacity. Summing these welfare increases over the 8 760 hours of the year, this provides the annual total for each step increase of interconnection capacity. Confronting welfare benefits with the annual cost of augmenting interconnection capacity indicated the socially optimal increase in interconnection capacity between France and Germany on the basis of empirical market micro-data. (authors)
Specific neural basis of Chinese idioms processing: an event-related functional MRI study
International Nuclear Information System (INIS)
Chen Shaoqi; Zhang Yanzhen; Xiao Zhuangwei; Zhang Xuexin
2007-01-01
Objective: To address the neural basis of Chinese idioms processing with different kinds of stimuli using an event-related fMRI design. Methods: Sixteen native Chinese speakers were asked to perform a semantic decision task during fMRI scanning. Three kinds of stimuli were used: Real idioms (Real-idiom condition); Literally plausible phrases (Pseudo-idiom condition, the last character of a real idiom was replaced by a character with similar meaning); Literally implausible strings (Non-idiom condition, the last character of a real idiom was replaced by a character with unrelated meaning). Reaction time and correct rate were recorded at the same time. Results: The error rate was 2.6%, 5.2% and 0.9% (F=3.51, P 0.05) for real idioms, pseudo-idioms and wrong idioms, respectively. Similar neural network was activated in all of the three conditions. However, the right hippocampus was only activated in the real idiom condition, and significant activations were found in anterior portion of left inferior frontal gyms (BA47) in real-and pseudo-idiom conditions, but not in non-idiom condition. Conclusion: The right hippocampus plays a specific role in the particular wording of the Chinese idioms. And the left anterior inferior frontal gyms (BA47) may be engaged in the semantic processing of Chinese idioms. The results support the notion that there were specific neural bases for Chinese idioms processing. (authors)
Resting state functional connectivity: its physiological basis and application in neuropharmacology.
Lu, Hanbing; Stein, Elliot A
2014-09-01
Brain structures do not work in isolation; they work in concert to produce sensory perception, motivation and behavior. Systems-level network activity can be investigated by resting state magnetic resonance imaging (rsMRI), an emerging neuroimaging technique that assesses the synchrony of the brain's ongoing spontaneous activity. Converging evidence reveals that rsMRI is able to consistently identify distinct spatiotemporal patterns of large-scale brain networks. Dysregulation within and between these networks has been implicated in a number of neurodegenerative and neuropsychiatric disorders, including Alzheimer's disease and drug addiction. Despite wide application of this approach in systems neuroscience, the physiological basis of these fluctuations remains incompletely understood. Here we review physiological studies in electrical, metabolic and hemodynamic fluctuations that are most pertinent to the rsMRI signal. We also review recent applications to neuropharmacology - specifically drug effects on resting state fluctuations. We speculate that the mechanisms governing spontaneous fluctuations in regional oxygenation availability likely give rise to the observed rsMRI signal. We conclude by identifying several open questions surrounding this technique. This article is part of the Special Issue Section entitled 'Neuroimaging in Neuropharmacology'. Published by Elsevier Ltd.
Energy Technology Data Exchange (ETDEWEB)
Fernandes, D.H.; Medeiros, A.R. [Subsea7, Niteroi, RJ (Brazil); Jacob, B.P.; Lima, B.S.L.P.; Albrecht, C.H. [Universidade Federaldo Rio de Janeiro (COPPE/UFRJ), RJ (Brazil). Coordenacao de Programas de Pos-graduacao em Engenharia
2009-07-01
This work presents studies regarding the determination of optimal pipeline routes for offshore applications. The assembly of an objective function is presented; this function can be later associated with Evolutionary Algorithm to implement a computational tool for the automatic determination of the most advantageous pipeline route for a given scenario. This tool may reduce computational overheads, avoid mistakes with route interpretation, and minimize costs with respect to submarine pipeline design and installation. The following aspects can be considered in the assembly of the objective function: Geophysical and geotechnical data obtained from the bathymetry and sonography; the influence of the installation method, total pipeline length and number of free spans to be mitigated along the routes as well as vessel time for both cases. Case studies are presented to illustrate the use of the proposed objective function, including a sensitivity analysis intended to identify the relative influence of selected parameters in the evaluation of different routes. (author)
A Particle Swarm Optimization Algorithm with Variable Random Functions and Mutation
Institute of Scientific and Technical Information of China (English)
ZHOU Xiao-Jun; YANG Chun-Hua; GUI Wei-Hua; DONG Tian-Xue
2014-01-01
The convergence analysis of the standard particle swarm optimization (PSO) has shown that the changing of random functions, personal best and group best has the potential to improve the performance of the PSO. In this paper, a novel strategy with variable random functions and polynomial mutation is introduced into the PSO, which is called particle swarm optimization algorithm with variable random functions and mutation (PSO-RM). Random functions are adjusted with the density of the population so as to manipulate the weight of cognition part and social part. Mutation is executed on both personal best particle and group best particle to explore new areas. Experiment results have demonstrated the effectiveness of the strategy.
Vector Green's function algorithm for radiative transfer in plane-parallel atmosphere
Energy Technology Data Exchange (ETDEWEB)
Qin Yi [School of Physics, University of New South Wales (Australia)]. E-mail: yi.qin@csiro.au; Box, Michael A. [School of Physics, University of New South Wales (Australia)
2006-01-15
Green's function is a widely used approach for boundary value problems. In problems related to radiative transfer, Green's function has been found to be useful in land, ocean and atmosphere remote sensing. It is also a key element in higher order perturbation theory. This paper presents an explicit expression of the Green's function, in terms of the source and radiation field variables, for a plane-parallel atmosphere with either vacuum boundaries or a reflecting (BRDF) surface. Full polarization state is considered but the algorithm has been developed in such way that it can be easily reduced to solve scalar radiative transfer problems, which makes it possible to implement a single set of code for computing both the scalar and the vector Green's function.
Vector Green's function algorithm for radiative transfer in plane-parallel atmosphere
International Nuclear Information System (INIS)
Qin Yi; Box, Michael A.
2006-01-01
Green's function is a widely used approach for boundary value problems. In problems related to radiative transfer, Green's function has been found to be useful in land, ocean and atmosphere remote sensing. It is also a key element in higher order perturbation theory. This paper presents an explicit expression of the Green's function, in terms of the source and radiation field variables, for a plane-parallel atmosphere with either vacuum boundaries or a reflecting (BRDF) surface. Full polarization state is considered but the algorithm has been developed in such way that it can be easily reduced to solve scalar radiative transfer problems, which makes it possible to implement a single set of code for computing both the scalar and the vector Green's function
The neuropathological basis to the functional role of microglia/macrophages in gliomas.
Schiffer, Davide; Mellai, Marta; Bovio, Enrica; Annovazzi, Laura
2017-09-01
The paper wants to be a tracking shot of the main recent acquisitions on the function and significance of microglia/macrophages in gliomas. The observations have been principally carried out on in vitro cultures and on tumor transplants in animals. Contrary to what is deduced from microglia in non-neoplastic pathologic conditions of central nervous system (CNS), most conclusions indicate that microglia acts favoring tumor proliferation through an immunosuppression induced by glioma cells. By immunohistochemistry, different microglia phenotypes are recognized in gliomas, from ramified microglia to frank macrophagic aspect. One wonders whether the functional conclusions drawn from many microglia studies, but not in conditions of human pathology, apply to all the phenotypes recognizable in them. It is difficult to verify in human pathology a prognostic significance of microglia. Only CD163-positive microglia/macrophages inversely correlate with glioma patients' survival, whereas the total number of microglia does not change with the malignancy grade.
Plant functional modelling as a basis for assessing the impact of management on plant safety
International Nuclear Information System (INIS)
Rasmussen, Birgitte; Petersen, Kurt E.
1999-01-01
A major objective of the present work is to provide means for representing a chemical process plant as a socio-technical system, so as to allow hazard identification at a high level in order to identify major targets for safety development. The main phases of the methodology are: (1) preparation of a plant functional model where a set of plant functions describes coherently hardware, software, operations, work organization and other safety related aspects. The basic principle is that any aspect of the plant can be represented by an object based upon an Intent and associated with each Intent are Methods, by which the Intent is realized, and Constraints, which limit the Intent. (2) Plant level hazard identification based on keywords/checklists and the functional model. (3) Development of incident scenarios and selection of hazardous situation with different safety characteristics. (4) Evaluation of the impact of management on plant safety through interviews. (5) Identification of safety critical ways of action in the management system, i.e. identification of possible error- and violation-producing conditions
Energy Technology Data Exchange (ETDEWEB)
Jacques Hugo; John Forester; David Gertman; Jeffrey Joe; Heather Medema; Julius Persensky; April Whaley
2013-04-01
This report presents preliminary research results from the investigation in to the development of new models and guidance for concepts of operations (ConOps) in advanced small modular reactor (aSMR) designs. In support of this objective, three important research areas were included: operating principles of multi-modular plants, functional allocation models and strategies that would affect the development of new, non-traditional concept of operations, and the requiremetns for human performance, based upon work domain analysis and current regulatory requirements. As part of the approach for this report, we outline potential functions, including the theoretical and operational foundations for the development of a new functional allocation model and the identification of specific regulatory requirements that will influence the development of future concept of operations. The report also highlights changes in research strategy prompted by confirmationof the importance of applying the work domain analysis methodology to a reference aSMR design. It is described how this methodology will enrich the findings from this phase of the project in the subsequent phases and help in identification of metrics and focused studies for the determination of human performance criteria that can be used to support the design process.
A Regression-based K nearest neighbor algorithm for gene function prediction from heterogeneous data
Directory of Open Access Journals (Sweden)
Ruzzo Walter L
2006-03-01
Full Text Available Abstract Background As a variety of functional genomic and proteomic techniques become available, there is an increasing need for functional analysis methodologies that integrate heterogeneous data sources. Methods In this paper, we address this issue by proposing a general framework for gene function prediction based on the k-nearest-neighbor (KNN algorithm. The choice of KNN is motivated by its simplicity, flexibility to incorporate different data types and adaptability to irregular feature spaces. A weakness of traditional KNN methods, especially when handling heterogeneous data, is that performance is subject to the often ad hoc choice of similarity metric. To address this weakness, we apply regression methods to infer a similarity metric as a weighted combination of a set of base similarity measures, which helps to locate the neighbors that are most likely to be in the same class as the target gene. We also suggest a novel voting scheme to generate confidence scores that estimate the accuracy of predictions. The method gracefully extends to multi-way classification problems. Results We apply this technique to gene function prediction according to three well-known Escherichia coli classification schemes suggested by biologists, using information derived from microarray and genome sequencing data. We demonstrate that our algorithm dramatically outperforms the naive KNN methods and is competitive with support vector machine (SVM algorithms for integrating heterogenous data. We also show that by combining different data sources, prediction accuracy can improve significantly. Conclusion Our extension of KNN with automatic feature weighting, multi-class prediction, and probabilistic inference, enhance prediction accuracy significantly while remaining efficient, intuitive and flexible. This general framework can also be applied to similar classification problems involving heterogeneous datasets.
Wang, Jun; Zhou, Bi-hua; Zhou, Shu-dao; Sheng, Zheng
2015-01-01
The paper proposes a novel function expression method to forecast chaotic time series, using an improved genetic-simulated annealing (IGSA) algorithm to establish the optimum function expression that describes the behavior of time series. In order to deal with the weakness associated with the genetic algorithm, the proposed algorithm incorporates the simulated annealing operation which has the strong local search ability into the genetic algorithm to enhance the performance of optimization; besides, the fitness function and genetic operators are also improved. Finally, the method is applied to the chaotic time series of Quadratic and Rossler maps for validation. The effect of noise in the chaotic time series is also studied numerically. The numerical results verify that the method can forecast chaotic time series with high precision and effectiveness, and the forecasting precision with certain noise is also satisfactory. It can be concluded that the IGSA algorithm is energy-efficient and superior.
A Sequential Optimization Sampling Method for Metamodels with Radial Basis Functions
Pan, Guang; Ye, Pengcheng; Yang, Zhidong
2014-01-01
Metamodels have been widely used in engineering design to facilitate analysis and optimization of complex systems that involve computationally expensive simulation programs. The accuracy of metamodels is strongly affected by the sampling methods. In this paper, a new sequential optimization sampling method is proposed. Based on the new sampling method, metamodels can be constructed repeatedly through the addition of sampling points, namely, extrema points of metamodels and minimum points of density function. Afterwards, the more accurate metamodels would be constructed by the procedure above. The validity and effectiveness of proposed sampling method are examined by studying typical numerical examples. PMID:25133206
Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, Michael F; Bredow, Thomas; Grimme, Stefan
2013-09-26
We extend the previously developed geometrical correction for the inter- and intramolecular basis set superposition error (gCP) to periodic density functional theory (DFT) calculations. We report gCP results compared to those from the standard Boys-Bernardi counterpoise correction scheme and large basis set calculations. The applicability of the method to molecular crystals as the main target is tested for the benchmark set X23. It consists of 23 noncovalently bound crystals as introduced by Johnson et al. (J. Chem. Phys. 2012, 137, 054103) and refined by Tkatchenko et al. (J. Chem. Phys. 2013, 139, 024705). In order to accurately describe long-range electron correlation effects, we use the standard atom-pairwise dispersion correction scheme DFT-D3. We show that a combination of DFT energies with small atom-centered basis sets, the D3 dispersion correction, and the gCP correction can accurately describe van der Waals and hydrogen-bonded crystals. Mean absolute deviations of the X23 sublimation energies can be reduced by more than 70% and 80% for the standard functionals PBE and B3LYP, respectively, to small residual mean absolute deviations of about 2 kcal/mol (corresponding to 13% of the average sublimation energy). As a further test, we compute the interlayer interaction of graphite for varying distances and obtain a good equilibrium distance and interaction energy of 6.75 Å and -43.0 meV/atom at the PBE-D3-gCP/SVP level. We fit the gCP scheme for a recently developed pob-TZVP solid-state basis set and obtain reasonable results for the X23 benchmark set and the potential energy curve for water adsorption on a nickel (110) surface.
Thermal Remote Sensing: A Powerful Tool in the Characterization of Landscapes on a Functional Basis
Jeffrey, Luvall C.; Kay, James; Fraser, Roydon
1999-01-01
Thermal remote sensing instruments can function as environmental measuring tools, with capabilities leading toward new directions in functional landscape ecology. Theoretical deduction and phenomenological observation leads us to believe that the second law of thermodynamics requires that all dynamically systems develop in a manner which dissipates gradients as rapidly as possible within the constraints of the system at hand. The ramification of this requirement is that dynamical systems will evolve dissipative structures which grow and complexify over time. This perspective has allowed us to develop a framework for discussing ecosystem development and integrity. In the context of this framework we have developed measures of development and integrity for ecosystems. One set of these measures is based on destruction of the exergy content of incoming solar energy. More developed ecosystems will be more effective at dissipating the solar gradient (destroying its exergy content). This can be measured by the effective surface temperature of the ecosystem on a landscape scale. These surface temperatures are measured using airborne thermal scanners such as the Thermal Infrared Multispectral Scanner (TIMS) and the Airborne Thermal/Visible Land Application Sensor(ATLAS) sensors. An analysis of agriculture and forest ecosystems will be used to illustrate the concept of ecological thermodynamics and the development of ecosystems.
The functional and structural neural basis of individual differences in loss aversion.
Canessa, Nicola; Crespi, Chiara; Motterlini, Matteo; Baud-Bovy, Gabriel; Chierchia, Gabriele; Pantaleo, Giuseppe; Tettamanti, Marco; Cappa, Stefano F
2013-09-04
Decision making under risk entails the anticipation of prospective outcomes, typically leading to the greater sensitivity to losses than gains known as loss aversion. Previous studies on the neural bases of choice-outcome anticipation and loss aversion provided inconsistent results, showing either bidirectional mesolimbic responses of activation for gains and deactivation for losses, or a specific amygdala involvement in processing losses. Here we focused on loss aversion with the aim to address interindividual differences in the neural bases of choice-outcome anticipation. Fifty-six healthy human participants accepted or rejected 104 mixed gambles offering equal (50%) chances of gaining or losing different amounts of money while their brain activity was measured with functional magnetic resonance imaging (fMRI). We report both bidirectional and gain/loss-specific responses while evaluating risky gambles, with amygdala and posterior insula specifically tracking the magnitude of potential losses. At the individual level, loss aversion was reflected both in limbic fMRI responses and in gray matter volume in a structural amygdala-thalamus-striatum network, in which the volume of the "output" centromedial amygdala nuclei mediating avoidance behavior was negatively correlated with monetary performance. We conclude that outcome anticipation and ensuing loss aversion involve multiple neural systems, showing functional and structural individual variability directly related to the actual financial outcomes of choices. By supporting the simultaneous involvement of both appetitive and aversive processing in economic decision making, these results contribute to the interpretation of existing inconsistencies on the neural bases of anticipating choice outcomes.
International Nuclear Information System (INIS)
Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo
1999-01-01
We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)
Protein Tyrosine Nitration: Biochemical Mechanisms and Structural Basis of its Functional Effects
Radi, Rafael
2012-01-01
CONSPECTUS The nitration of protein tyrosine residues to 3-nitrotyrosine represents an oxidative postranslational modification that unveils the disruption of nitric oxide (•NO) signaling and metabolism towards pro-oxidant processes. Indeed, excess levels of reactive oxygen species in the presence of •NO or •NO-derived metabolites lead to the formation of nitrating species such as peroxynitrite. Thus, protein 3-nitrotyrosine has been established as a biomarker of cell, tissue and systemic “nitroxidative stress”. Moreover, tyrosine nitration modifies key properties of the amino acid (i.e. phenol group pKa, redox potential, hydrophobicity and volume). Thus, the incorporation of a nitro group (−NO2) to protein tyrosines can lead to profound structural and functional changes, some of which contribute to altered cell and tissue homeostasis. In this Account, I describe our current efforts to define 1) biologically-relevant mechanisms of protein tyrosine nitration and 2) how this modification can cause changes in protein structure and function at the molecular level. First, the relevance of protein tyrosine nitration via free radical-mediated reactions (in both peroxynitrite-dependent or independent pathways) involving the intermediacy of tyrosyl radical (Tyr•) will be underscored. This feature of the nitration process becomes critical as Tyr• can take variable fates, including the formation of 3-nitrotyrosine. Fast kinetic techniques, electron paramagnetic resonance (EPR) studies, bioanalytical methods and kinetic simulations have altogether assisted to characterize and fingerprint the reactions of tyrosine with peroxynitrite and one-electron oxidants and its further evolution to 3-nitrotyrosine. Recent findings show that nitration of tyrosines in proteins associated to biomembranes is linked to the lipid peroxidation process via a connecting reaction that involves the one-electron oxidation of tyrosine by lipid peroxyl radicals (LOO•). Second
Efficient fractal-based mutation in evolutionary algorithms from iterated function systems
Salcedo-Sanz, S.; Aybar-Ruíz, A.; Camacho-Gómez, C.; Pereira, E.
2018-03-01
In this paper we present a new mutation procedure for Evolutionary Programming (EP) approaches, based on Iterated Function Systems (IFSs). The new mutation procedure proposed consists of considering a set of IFS which are able to generate fractal structures in a two-dimensional phase space, and use them to modify a current individual of the EP algorithm, instead of using random numbers from different probability density functions. We test this new proposal in a set of benchmark functions for continuous optimization problems. In this case, we compare the proposed mutation against classical Evolutionary Programming approaches, with mutations based on Gaussian, Cauchy and chaotic maps. We also include a discussion on the IFS-based mutation in a real application of Tuned Mass Dumper (TMD) location and optimization for vibration cancellation in buildings. In both practical cases, the proposed EP with the IFS-based mutation obtained extremely competitive results compared to alternative classical mutation operators.
Nanocomposites based on thermoplastic elastomers with functional basis of nano titanium dioxide
Energy Technology Data Exchange (ETDEWEB)
Yulovskaya, V. D.; Kuz’micheva, G. M., E-mail: galina-kuzmicheva@list.ru [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation); Klechkovskaya, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Orekhov, A. S.; Zubavichus, Ya. V. [National Research Centre “Kurchatov Institute” (Russian Federation); Domoroshchina, E. N.; Shegay, A. V. [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation)
2016-03-15
Nanocomposites based on a thermoplastic elastomer (TPE) (low-density polyethylene (LDPE) and 1,2-polybutadiene in a ratio of 60/40) with functional titanium dioxide nanoparticles of different nature, TiO{sub 2}/TPE, have been prepared and investigated by a complex of methods (X-ray diffraction analysis using X-ray and synchrotron radiation beams, scanning electron microscopy, transmission electron microscopy, and X-ray energy-dispersive spectroscopy). The morphology of the composites is found to be somewhat different, depending on the TiO{sub 2} characteristics. It is revealed that nanocomposites with cellular or porous structures containing nano-TiO{sub 2} aggregates with a large specific surface and large sizes of crystallites and nanoparticles exhibit the best deformation‒strength and fatigue properties and stability to the effect of active media under conditions of ozone and vapor‒air aging.
Piepmeier, Jeffrey; Mohammed, Priscilla; De Amici, Giovanni; Kim, Edward; Peng, Jinzheng; Ruf, Christopher; Hanna, Maher; Yueh, Simon; Entekhabi, Dara
2016-01-01
The purpose of the Soil Moisture Active Passive (SMAP) radiometer calibration algorithm is to convert Level 0 (L0) radiometer digital counts data into calibrated estimates of brightness temperatures referenced to the Earth's surface within the main beam. The algorithm theory in most respects is similar to what has been developed and implemented for decades for other satellite radiometers; however, SMAP includes two key features heretofore absent from most satellite borne radiometers: radio frequency interference (RFI) detection and mitigation, and measurement of the third and fourth Stokes parameters using digital correlation. The purpose of this document is to describe the SMAP radiometer and forward model, explain the SMAP calibration algorithm, including approximations, errors, and biases, provide all necessary equations for implementing the calibration algorithm and detail the RFI detection and mitigation process. Section 2 provides a summary of algorithm objectives and driving requirements. Section 3 is a description of the instrument and Section 4 covers the forward models, upon which the algorithm is based. Section 5 gives the retrieval algorithm and theory. Section 6 describes the orbit simulator, which implements the forward model and is the key for deriving antenna pattern correction coefficients and testing the overall algorithm.
Directory of Open Access Journals (Sweden)
Burennikova Nataliia V.
2018-02-01
Full Text Available The article considers the practice of using the method of discriminant analysis to study effectiveness of the processes of functioning of enterprises on the basis of indicators of the constituent parts of performance on the example of specific agricultural enterprises of the grain products subcomplex. It is underlined that when using benchmarking (as a method of competitive analysis in many cases when researching the processes of functioning and development of enterprises (in particular, agricultural there is a need to distribute the studied objects into individual groups according to the main strategic priorities. It is specified that one of the methods used for such distribution is the classic discriminant analysis, which allows to define the quantitative boundary that distinguishes the group of enterprises-leaders from all other enterprises. It has been found that the determining factor in the use of the specified method is the choice of a number of indicators characterizing the objects and processes allocated by using benchmarking. This choice, in turn, requires implementation of an appropriate algorithms based on simulation. As these indicators serve the authors’ indicators of efficiency and scale product, selected as the constituent parts of the performance indicator, characterizing any process and its results from both the qualitative and the quantitative points of view. The authors’ own approaches to the method of grouping of objects and allocation of strategically important groups among them have been proposed.
Soft functions for generic jet algorithms and observables at hadron colliders
Energy Technology Data Exchange (ETDEWEB)
Bertolini, Daniele [Lawrence Berkeley National Laboratory, Berkeley, CA (United States). Theoretical Physics Group; California Univ., Berkeley, CA (United States). Berkeley Center for Theoretical Physics; Kolodrubetz, Daniel; Stewart, Iain W. [Massachusetts Institute of Technology, Cambridge, MA (United States). Center for Theoretical Physics; Duff, Neill [Los Alamos National Laboratory, NM (United States). Theoretical Div.; Massachusetts Institute of Technology, Cambridge, MA (United States). Center for Theoretical Physics; Pietrulewicz, Piotr; Tackmann, Frank J. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Waalewijn, Wouter J. [NIKHEF, Amsterdam (Netherlands). Theory Group; Amsterdam Univ. (Netherlands). Inst. for Theoretical Physics Amsterdam and Delta Inst. for Theoretical Physics
2017-07-15
We introduce a method to compute one-loop soft functions for exclusive N-jet processes at hadron colliders, allowing for different definitions of the algorithm that determines the jet regions and of the measurements in those regions. In particular, we generalize the N-jettiness hemisphere decomposition of T. T. Joutennus et al. (2011) in a manner that separates the dependence on the jet boundary from the observables measured inside the jet and beam regions. Results are given for several factorizable jet definitions, including anti-k{sub T}, XCone, and other geometric partitionings. We calculate explicitly the soft functions for angularity measurements, including jet mass and jet broadening, in pp→L+1 jet and explore the differences for various jet vetoes and algorithms. This includes a consistent treatment of rapidity divergences when applicable. We also compute analytic results for these soft functions in an expansion for a small jet radius R. We find that the small-R results, including corrections up to O(R{sup 2}), accurately capture the full behavior over a large range of R.
International Nuclear Information System (INIS)
Faulin, Javier; Juan, Angel A.; Serrat, Carles; Bargueno, Vicente
2008-01-01
In this paper, we propose the use of discrete-event simulation (DES) as an efficient methodology to obtain estimates of both survival and availability functions in time-dependent real systems-such as telecommunication networks or distributed computer systems. We discuss the use of DES in reliability and availability studies, not only as an alternative to the use of analytical and probabilistic methods, but also as a complementary way to: (i) achieve a better understanding of the system internal behavior and (ii) find out the relevance of each component under reliability/availability considerations. Specifically, this paper describes a general methodology and two DES algorithms, called SAEDES, which can be used to analyze a wide range of time-dependent complex systems, including those presenting multiple states, dependencies among failure/repair times or non-perfect maintenance policies. These algorithms can provide valuable information, specially during the design stages, where different scenarios can be compared in order to select a system design offering adequate reliability and availability levels. Two case studies are discussed, using a C/C++ implementation of the SAEDES algorithms, to show some potential applications of our approach
Energy Technology Data Exchange (ETDEWEB)
Faulin, Javier [Department of Statistics and Operations Research, Los Magnolios Building, First Floor, Campus Arrosadia, Public University of Navarre, 31006 Pamplona, Navarre (Spain)], E-mail: javier.faulin@unavarra.es; Juan, Angel A. [Department of Applied Mathematics I, Av. Doctor Maranon 44-50, Technical University of Catalonia, 08028 Barcelona (Spain)], E-mail: angel.alejandro.juan@upc.edu; Serrat, Carles [Department of Applied Mathematics I, Av. Doctor Maranon 44-50, Technical University of Catalonia, 08028 Barcelona (Spain)], E-mail: carles.serrat@upc.edu; Bargueno, Vicente [Department of Applied Mathematics I, ETS Ingenieros Industriales, Universidad Nacional de Educacion a Distancia, 28080 Madrid (Spain)], E-mail: vbargueno@ind.uned.es
2008-11-15
In this paper, we propose the use of discrete-event simulation (DES) as an efficient methodology to obtain estimates of both survival and availability functions in time-dependent real systems-such as telecommunication networks or distributed computer systems. We discuss the use of DES in reliability and availability studies, not only as an alternative to the use of analytical and probabilistic methods, but also as a complementary way to: (i) achieve a better understanding of the system internal behavior and (ii) find out the relevance of each component under reliability/availability considerations. Specifically, this paper describes a general methodology and two DES algorithms, called SAEDES, which can be used to analyze a wide range of time-dependent complex systems, including those presenting multiple states, dependencies among failure/repair times or non-perfect maintenance policies. These algorithms can provide valuable information, specially during the design stages, where different scenarios can be compared in order to select a system design offering adequate reliability and availability levels. Two case studies are discussed, using a C/C++ implementation of the SAEDES algorithms, to show some potential applications of our approach.
Kiguchi, Masashi; Funane, Tsukasa
2014-11-01
A real-time algorithm for removing scalp-blood signals from functional near-infrared spectroscopy signals is proposed. Scalp and deep signals have different dependencies on the source-detector distance. These signals were separated using this characteristic. The algorithm was validated through an experiment using a dynamic phantom in which shallow and deep absorptions were independently changed. The algorithm for measurement of oxygenated and deoxygenated hemoglobins using two wavelengths was explicitly obtained. This algorithm is potentially useful for real-time systems, e.g., brain-computer interfaces and neuro-feedback systems.
An compression algorithm for medical images and a display with the decoding function
International Nuclear Information System (INIS)
Gotoh, Toshiyuki; Nakagawa, Yukihiro; Shiohara, Morito; Yoshida, Masumi
1990-01-01
This paper describes and efficient image compression method for medical images, a high-speed display with the decoding function. In our method, an input image is divided into blocks, and either of Discrete Cosine Transform coding (DCT) or Block Truncation Coding (BTC) is adaptively applied on each block to improve image quality. The display, we developed, receives the compressed data from the host computer and reconstruct images of good quality at high speed using four decoding microprocessors on which our algorithm is implemented in pipeline. By the experiments, our method and display were verified to be effective. (author)
Directory of Open Access Journals (Sweden)
Lars H. Wegner
2017-03-01
Full Text Available Current concepts of plant membrane transport are based on the assumption that water and solutes move across membranes via separate pathways. According to this view, coupling between the fluxes is more or less exclusively constituted via the osmotic force that solutes exert on water transport. This view is questioned here, and experimental evidence for a cotransport of water and solutes is reviewed. The overview starts with ion channels that provide pathways for both ion and water transport, as exemplified for maxi K+ channels from cytoplasmic droplets of Chara corallina. Aquaporins are usually considered to be selective for water (just allowing for slippage of some other small, neutral molecules. Recently, however, a “dual function” aquaporin has been characterized from Arabidopsis thaliana (AtPIP2.1 that translocates water and at the same time conducts cations, preferentially Na+. By analogy with mammalian physiology, other candidates for solute-water flux coupling are cation-chloride cotransporters of the CCC type, and transporters of sugars and amino acids. The last part is dedicated to possible physiological functions that could rely on solute-water cotransport. Among these are the generation of root pressure, refilling of embolized xylem vessels, fast turgor-driven movements of leaves, cell elongation (growth, osmoregulation and adjustment of buoyancy in marine algae. This review will hopefully initiate further research in the field.
Discerning Thermodynamic Basis of Self-Organization in Critical Zone Structure and Function
Richardson, M.; Kumar, P.
2017-12-01
Self-organization characterizes the spontaneous emergence of order. Self-organization in the Critical Zone, the region of Earth's skin from below the groundwater table to the top of the vegetation canopy, involves the interaction of biotic and abiotic processes occurring through a hierarchy of temporal and spatial scales. The self-organization is sustained through input of energy and material in an open system framework, and the resulting formations are called dissipative structures. Why do these local states of organization form and how are they thermodynamically favorable? We hypothesize that structure formation is linked to energy conversion and matter throughput rates across driving gradients. Furthermore, we predict that structures in the Critical Zone evolve based on local availability of nutrients, water, and energy. By considering ecosystems as open thermodynamic systems, we model and study the throughput signatures on short times scales to determine origins and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of matter and energy to understand the thermodynamic drivers of the system. By classifying the fluxes and dynamics in a system, we can identify patterns to determine the thermodynamic drivers for organized states. Additionally, studying the partitioning of nutrients, water, and energy throughout ecosystems through dissipative structures will help identify reasons for structure shapes and how these shapes impact major Critical Zone functions.
Gronnier, Julien; Crowet, Jean-Marc; Habenstein, Birgit; Nasir, Mehmet Nail; Bayle, Vincent; Hosy, Eric; Platre, Matthieu Pierre; Gouguet, Paul; Raffaele, Sylvain; Martinez, Denis; Grelard, Axelle; Loquet, Antoine; Simon-Plas, Françoise; Gerbeau-Pissot, Patricia; Der, Christophe; Bayer, Emmanuelle M; Jaillais, Yvon; Deleu, Magali; Germain, Véronique; Lins, Laurence; Mongrand, Sébastien
2017-07-31
Plasma Membrane is the primary structure for adjusting to ever changing conditions. PM sub-compartmentalization in domains is thought to orchestrate signaling. Yet, mechanisms governing membrane organization are mostly uncharacterized. The plant-specific REMORINs are proteins regulating hormonal crosstalk and host invasion. REMs are the best-characterized nanodomain markers via an uncharacterized moiety called REMORIN C-terminal Anchor. By coupling biophysical methods, super-resolution microscopy and physiology, we decipher an original mechanism regulating the dynamic and organization of nanodomains. We showed that targeting of REMORIN is independent of the COP-II-dependent secretory pathway and mediated by PI4P and sterol. REM-CA is an unconventional lipid-binding motif that confers nanodomain organization. Analyses of REM-CA mutants by single particle tracking demonstrate that mobility and supramolecular organization are critical for immunity. This study provides a unique mechanistic insight into how the tight control of spatial segregation is critical in the definition of PM domain necessary to support biological function.
International Nuclear Information System (INIS)
Dalmasse, Kevin; Nychka, Douglas W.; Gibson, Sarah E.; Fan, Yuhong; Flyer, Natasha
2016-01-01
The Coronal Multichannel Polarimeter (CoMP) routinely performs coronal polarimetric measurements using the Fe XIII 10747 and 10798 lines, which are sensitive to the coronal magnetic field. However, inverting such polarimetric measurements into magnetic field data is a difficult task because the corona is optically thin at these wavelengths and the observed signal is therefore the integrated emission of all the plasma along the line of sight. To overcome this difficulty, we take on a new approach that combines a parameterized 3D magnetic field model with forward modeling of the polarization signal. For that purpose, we develop a new, fast and efficient, optimization method for model-data fitting: the Radial-basis-functions Optimization Approximation Method (ROAM). Model-data fitting is achieved by optimizing a user-specified log-likelihood function that quantifies the differences between the observed polarization signal and its synthetic/predicted analog. Speed and efficiency are obtained by combining sparse evaluation of the magnetic model with radial-basis-function (RBF) decomposition of the log-likelihood function. The RBF decomposition provides an analytical expression for the log-likelihood function that is used to inexpensively estimate the set of parameter values optimizing it. We test and validate ROAM on a synthetic test bed of a coronal magnetic flux rope and show that it performs well with a significantly sparse sample of the parameter space. We conclude that our optimization method is well-suited for fast and efficient model-data fitting and can be exploited for converting coronal polarimetric measurements, such as the ones provided by CoMP, into coronal magnetic field data.
The conceptual basis of mathematics in cardiology: (I) algebra, functions and graphs.
Bates, Jason H T; Sobel, Burton E
2003-02-01
This is the first in a series of four articles developed for the readers of. Without language ideas cannot be articulated. What may not be so immediately obvious is that they cannot be formulated either. One of the essential languages of cardiology is mathematics. Unfortunately, medical education does not emphasize, and in fact, often neglects empowering physicians to think mathematically. Reference to statistics, conditional probability, multicompartmental modeling, algebra, calculus and transforms is common but often without provision of genuine conceptual understanding. At the University of Vermont College of Medicine, Professor Bates developed a course designed to address these deficiencies. The course covered mathematical principles pertinent to clinical cardiovascular and pulmonary medicine and research. It focused on fundamental concepts to facilitate formulation and grasp of ideas. This series of four articles was developed to make the material available for a wider audience. The articles will be published sequentially in Coronary Artery Disease. Beginning with fundamental axioms and basic algebraic manipulations they address algebra, function and graph theory, real and complex numbers, calculus and differential equations, mathematical modeling, linear system theory and integral transforms and statistical theory. The principles and concepts they address provide the foundation needed for in-depth study of any of these topics. Perhaps of even more importance, they should empower cardiologists and cardiovascular researchers to utilize the language of mathematics in assessing the phenomena of immediate pertinence to diagnosis, pathophysiology and therapeutics. The presentations are interposed with queries (by Coronary Artery Disease, abbreviated as CAD) simulating the nature of interactions that occurred during the course itself. Each article concludes with one or more examples illustrating application of the concepts covered to cardiovascular medicine and
Quick fuzzy backpropagation algorithm.
Nikov, A; Stoeva, S
2001-03-01
A modification of the fuzzy backpropagation (FBP) algorithm called QuickFBP algorithm is proposed, where the computation of the net function is significantly quicker. It is proved that the FBP algorithm is of exponential time complexity, while the QuickFBP algorithm is of polynomial time complexity. Convergence conditions of the QuickFBP, resp. the FBP algorithm are defined and proved for: (1) single output neural networks in case of training patterns with different targets; and (2) multiple output neural networks in case of training patterns with equivalued target vector. They support the automation of the weights training process (quasi-unsupervised learning) establishing the target value(s) depending on the network's input values. In these cases the simulation results confirm the convergence of both algorithms. An example with a large-sized neural network illustrates the significantly greater training speed of the QuickFBP rather than the FBP algorithm. The adaptation of an interactive web system to users on the basis of the QuickFBP algorithm is presented. Since the QuickFBP algorithm ensures quasi-unsupervised learning, this implies its broad applicability in areas of adaptive and adaptable interactive systems, data mining, etc. applications.
O'Loughlin, Declan; Oliveira, Bárbara L; Elahi, Muhammad Adnan; Glavin, Martin; Jones, Edward; Popović, Milica; O'Halloran, Martin
2017-12-06
Inaccurate estimation of average dielectric properties can have a tangible impact on microwave radar-based breast images. Despite this, recent patient imaging studies have used a fixed estimate although this is known to vary from patient to patient. Parameter search algorithms are a promising technique for estimating the average dielectric properties from the reconstructed microwave images themselves without additional hardware. In this work, qualities of accurately reconstructed images are identified from point spread functions. As the qualities of accurately reconstructed microwave images are similar to the qualities of focused microscopic and photographic images, this work proposes the use of focal quality metrics for average dielectric property estimation. The robustness of the parameter search is evaluated using experimental dielectrically heterogeneous phantoms on the three-dimensional volumetric image. Based on a very broad initial estimate of the average dielectric properties, this paper shows how these metrics can be used as suitable fitness functions in parameter search algorithms to reconstruct clear and focused microwave radar images.
International Nuclear Information System (INIS)
Frink, L.J.D.; Salinger, A.G.
2000-01-01
Fluids adsorbed near surfaces, near macromolecules, and in porous materials are inhomogeneous, exhibiting spatially varying density distributions. This inhomogeneity in the fluid plays an important role in controlling a wide variety of complex physical phenomena including wetting, self-assembly, corrosion, and molecular recognition. One of the key methods for studying the properties of inhomogeneous fluids in simple geometries has been density functional theory (DFT). However, there has been a conspicuous lack of calculations in complex two- and three-dimensional geometries. The computational difficulty arises from the need to perform nested integrals that are due to nonlocal terms in the free energy functional. These integral equations are expensive both in evaluation time and in memory requirements; however, the expense can be mitigated by intelligent algorithms and the use of parallel computers. This paper details the efforts to develop efficient numerical algorithms so that nonlocal DFT calculations in complex geometries that require two or three dimensions can be performed. The success of this implementation will enable the study of solvation effects at heterogeneous surfaces, in zeolites, in solvated (bio)polymers, and in colloidal suspensions
A new algorithm to compute conjectured supply function equilibrium in electricity markets
International Nuclear Information System (INIS)
Diaz, Cristian A.; Villar, Jose; Campos, Fco Alberto; Rodriguez, M. Angel
2011-01-01
Several types of market equilibria approaches, such as Cournot, Conjectural Variation (CVE), Supply Function (SFE) or Conjectured Supply Function (CSFE) have been used to model electricity markets for the medium and long term. Among them, CSFE has been proposed as a generalization of the classic Cournot. It computes the equilibrium considering the reaction of the competitors against changes in their strategy, combining several characteristics of both CVE and SFE. Unlike linear SFE approaches, strategies are linearized only at the equilibrium point, using their first-order Taylor approximation. But to solve CSFE, the slope or the intercept of the linear approximations must be given, which has been proved to be very restrictive. This paper proposes a new algorithm to compute CSFE. Unlike previous approaches, the main contribution is that the competitors' strategies for each generator are initially unknown (both slope and intercept) and endogenously computed by this new iterative algorithm. To show the applicability of the proposed approach, it has been applied to several case examples where its qualitative behavior has been analyzed in detail. (author)
Sturmian functions in a L{sup 2} basis: Critical nuclear charge for N-electron atoms
Energy Technology Data Exchange (ETDEWEB)
Frapiccini, A.L. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)], E-mail: afrapic@uns.edu.ar; Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Colavecchia, F.D. [Centro Atomico Bariloche, San Carlos de Bariloche, Rio Negro (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Mitnik, D. [Instituto de Astronomia y Fisica del Espacio and, Departamento de Fisica, Universidad de Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)
2007-10-15
Two particle Sturmian functions [M. Rotenberg, Ann. Phys., NY 19 (1962) 262; S.V. Khristenko, Theor. Math. Fiz. 22 (1975) 31 (Engl. Transl. Theor. Math. Phys. 22, 21)] for a short range potentials are obtained by expanding the solution of the Schroedinger equation in a finite L{sup 2}Laguerre-type basis. These functions are chosen to satisfy certain boundary conditions, such as regularity at the origin and the correct asymptotic behavior according to the energy domain: exponential decay for negative energy and outgoing (incoming or standing wave) for positive energy. The set of eigenvalues obtained is discrete for both positive and negative energies. This Sturmian basis is used to solve the Schroedinger equation for a one-particle model potential [A.V. Sergeev, S. Kais, J. Quant. Chem. 75 (1999) 533] to describe the motion of a loosely bound electron in a multielectron atom. Values of the two parameters of the potential are computed to represent the Helium isoelectronic series and the critical nuclear charge Z{sub c} is found, in good agreement with previous calculations.
Drescher, A. C.; Gadgil, A. J.; Price, P. N.; Nazaroff, W. W.
Optical remote sensing and iterative computed tomography (CT) can be applied to measure the spatial distribution of gaseous pollutant concentrations. We conducted chamber experiments to test this combination of techniques using an open path Fourier transform infrared spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). Although ART converged to solutions that showed excellent agreement with the measured ray-integral concentrations, the solutions were inconsistent with simultaneously gathered point-sample concentration measurements. A new CT method was developed that combines (1) the superposition of bivariate Gaussians to represent the concentration distribution and (2) a simulated annealing minimization routine to find the parameters of the Gaussian basis functions that result in the best fit to the ray-integral concentration data. This method, named smooth basis function minimization (SBFM), generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present an analysis of two sets of experimental data that compares the performance of ART and SBFM. We conclude that SBFM is a superior CT reconstruction method for practical indoor and outdoor air monitoring applications.
International Nuclear Information System (INIS)
Vrankar, L.; Turk, G.; Runovc, F.; Kansa, E.J.
2006-01-01
Many heat-transfer problems involve a change of phase of material due to solidification or melting. Applications include: the safety studies of nuclear reactors (molten core concrete interaction), the drilling of high ice-content soil, the storage of thermal energy, etc. These problems are often called Stefan's or moving boundary value problems. Mathematically, the interface motion is expressed implicitly in an equation for the conservation of thermal energy at the interface (Stefan's conditions). This introduces a non-linear character to the system which treats each problem somewhat uniquely. The exact solution of phase change problems is limited exclusively to the cases in which e.g. the heat transfer regions are infinite or semi-infinite one dimensional-space. Therefore, solution is obtained either by approximate analytical solution or by numerical methods. Finite-difference methods and finite-element techniques have been used extensively for numerical solution of moving boundary problems. Recently, the numerical methods have focused on the idea of using a mesh-free methodology for the numerical solution of partial differential equations based on radial basis functions. In our case we will study solid-solid transformation. The numerical solutions will be compared with analytical solutions. Actually, in our work we will examine usefulness of radial basis functions (especially multiquadric-MQ) for one-dimensional Stefan's problems. The position of the moving boundary will be simulated by moving grid method. The resultant system of RBF-PDE will be solved by affine space decomposition. (author)
Directory of Open Access Journals (Sweden)
Azam Farmani
2014-07-01
Full Text Available Objectives: The aim of the present study is to examine the prediction of the reminiscence functions in older adults on the basis of the five personality factor model. Methods & Materials: 242 elderly adults older than 60 were recruited from retirement clubs of the city of Shiraz via available sampling method. The participants completed the Reminiscence Functions Scale and Goldberg's International Personality Item Pool. Forty participants were deleted from the sample because they did not complete the questionnaires fully. All the participants took part in the study with their conscious consent. To conduct the necessary descriptive and inferential statistical operations, SPSS (Version 16 was used. Mean, standard deviation and Pearson correlation coefficient were utilized to analyze the data in the descriptive statistics section, And in inferential statistics section, simultaneous multiple regression was used to predict reminiscence functions. Results: According to the results of the multiple regression analysis, Neuroticism predicted the reminiscence functions of Bitterness Revival (β=0.28, P≤0.001 and Intimacy Maintenance (β=0.25, P≤0.001 and Extraversion predicted the reminiscence functions of Teach/Inform (β=0.18, P<0.05. Conclusion: The results indicated that people with higher levels of psychological distress tend to rehash and ruminate on bitter memories and hold onto memories of intimate social relations who are no longer part of their lives. Moreover, extravert people tend to share memories to transmit a lesson of life and share personal ideologies and experiences. Clinicians should focus on more adaptive functions of reminiscence (e.g., identity, problem solving and teach/inform and teach such functions.
International Nuclear Information System (INIS)
Yu, Shiwei; Wang, Ke; Wei, Yi-Ming
2015-01-01
Highlights: • A hybrid self-adaptive PSO–GA-RBF model is proposed for electricity demand prediction. • Each mixed-coding particle is composed by two coding parts of binary and real. • Five independent variables have been selected to predict future electricity consumption in Wuhan. • The proposed model has a simpler structure or higher estimating precision than other ANN models. • No matter what the scenario, the electricity consumption of Wuhan will grow rapidly. - Abstract: The present study proposes a hybrid Particle Swarm Optimization and Genetic Algorithm optimized Radial Basis Function (PSO–GA-RBF) neural network for prediction of annual electricity demand. In the model, each mixed-coding particle (or chromosome) is composed of two coding parts, binary and real, which optimizes the structure of the RBF by GA operation and the parameters of the basis and weights by a PSO–GA implementation. Five independent variables have been selected to predict future electricity consumption in Wuhan by using optimized networks. The results shows that (1) the proposed PSO–GA-RBF model has a simpler network structure (fewer hidden neurons) or higher estimation precision than other selected ANN models; and (2) no matter what the scenario, the electricity consumption of Wuhan will grow rapidly at average annual growth rates of about 9.7–11.5%. By 2020, the electricity demand in the planning scenario, the highest among the scenarios, will be 95.85 billion kW h. The lowest demand is estimated for the business-as-usual scenario, and will be 88.45 billion kW h
International Nuclear Information System (INIS)
Ji Zhilong; Ma Yuanwei; Wang Dezhong
2014-01-01
Background: In radioactive nuclides atmospheric diffusion models, the empirical dispersion coefficients were deduced under certain experiment conditions, whose difference with nuclear accident conditions is a source of deviation. A better estimation of the radioactive nuclide's actual dispersion process could be done by correcting dispersion coefficients with observation data, and Genetic Algorithm (GA) is an appropriate method for this correction procedure. Purpose: This study is to analyze the fitness functions' influence on the correction procedure and the forecast ability of diffusion model. Methods: GA, coupled with Lagrange dispersion model, was used in a numerical simulation to compare 4 fitness functions' impact on the correction result. Results: In the numerical simulation, the fitness function with observation deviation taken into consideration stands out when significant deviation exists in the observed data. After performing the correction procedure on the Kincaid experiment data, a significant boost was observed in the diffusion model's forecast ability. Conclusion: As the result shows, in order to improve dispersion models' forecast ability using GA, observation data should be given different weight in the fitness function corresponding to their error. (authors)
Conjugate schema and basis representation of crossover and mutation operators.
Kazadi, S T
1998-01-01
In genetic search algorithms and optimization routines, the representation of the mutation and crossover operators are typically defaulted to the canonical basis. We show that this can be influential in the usefulness of the search algorithm. We then pose the question of how to find a basis for which the search algorithm is most useful. The conjugate schema is introduced as a general mathematical construct and is shown to separate a function into smaller dimensional functions whose sum is the original function. It is shown that conjugate schema, when used on a test suite of functions, improves the performance of the search algorithm on 10 out of 12 of these functions. Finally, a rigorous but abbreviated mathematical derivation is given in the appendices.
International Nuclear Information System (INIS)
Snyder, Abigail C.; Jiao, Yu
2010-01-01
Neutron experiments at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) frequently generate large amounts of data (on the order of 106-1012 data points). Hence, traditional data analysis tools run on a single CPU take too long to be practical and scientists are unable to efficiently analyze all data generated by experiments. Our goal is to develop a scalable algorithm to efficiently compute high-dimensional integrals of arbitrary functions. This algorithm can then be used to integrate the four-dimensional integrals that arise as part of modeling intensity from the experiments at the SNS. Here, three different one-dimensional numerical integration solvers from the GNU Scientific Library were modified and implemented to solve four-dimensional integrals. The results of these solvers on a final integrand provided by scientists at the SNS can be compared to the results of other methods, such as quasi-Monte Carlo methods, computing the same integral. A parallelized version of the most efficient method can allow scientists the opportunity to more effectively analyze all experimental data.
Chen, Qian; Liu, Guohai; Xu, Dezhi; Xu, Liang; Xu, Gaohong; Aamir, Nazir
2018-05-01
This paper proposes a new decoupled control for a five-phase in-wheel fault-tolerant permanent magnet (IW-FTPM) motor drive, in which radial basis function neural network inverse (RBF-NNI) and internal model control (IMC) are combined. The RBF-NNI system is introduced into original system to construct a pseudo-linear system, and IMC is used as a robust controller. Hence, the newly proposed control system incorporates the merits of the IMC and RBF-NNI methods. In order to verify the proposed strategy, an IW-FTPM motor drive is designed based on dSPACE real-time control platform. Then, the experimental results are offered to verify that the d-axis current and the rotor speed are successfully decoupled. Besides, the proposed motor drive exhibits strong robustness even under load torque disturbance.
Energy Technology Data Exchange (ETDEWEB)
Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu
2017-04-15
In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.
Directory of Open Access Journals (Sweden)
Feilu Wang
2014-04-01
Full Text Available Research on tactile sensors to enhance their flexibility and ability of multi- dimensional information detection is a key issue to develop humanoid robots. In view of that the tactile sensor is often affected by noise, this paper adds different white Gaussian noises (WGN into the ideal model of flexible tactile sensors based on conductive rubber purposely, then improves the standard radial basis function neural network (RNFNN to deal with the noises. The modified RBFNN is applied to approximate and decouple the mapping relationship between row-column resistance with WGNs and three-dimensional deformation. Numerical experiments demonstrate that the decoupling result of the deformation for the sensor is quite good. The results show that the improved RBFNN which doesn’t rely on the mathematical model of the system has good anti-noise ability and robustness.
Piret, Cécile
2012-05-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.
Zhou, Jingwen; Xu, Zhenghong; Chen, Shouwen
2013-04-01
The thuringiensin abiotic degradation processes in aqueous solution under different conditions, with a pH range of 5.0-9.0 and a temperature range of 10-40°C, were systematically investigated by an exponential decay model and a radius basis function (RBF) neural network model, respectively. The half-lives of thuringiensin calculated by the exponential decay model ranged from 2.72 d to 16.19 d under the different conditions mentioned above. Furthermore, an RBF model with accuracy of 0.1 and SPREAD value 5 was employed to model the degradation processes. The results showed that the model could simulate and predict the degradation processes well. Both the half-lives and the prediction data showed that thuringiensin was an easily degradable antibiotic, which could be an important factor in the evaluation of its safety. Copyright © 2012 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Permoon, M. R.; Haddadpour, H. [Sharif University of Tech, Tehran (Iran, Islamic Republic of); Rashidinia, J.; Parsa, A.; Salehi, R. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)
2016-07-15
In this paper, the forced vibrations of the fractional viscoelastic beam with the Kelvin-Voigt fractional order constitutive relationship is studied. The equation of motion is derived from Newton's second law and the Galerkin method is used to discretize the equation of motion in to a set of linear ordinary differential equations. For solving the discretized equations, the radial basis functions and Sinc quadrature rule are used. In order to show the effectiveness and accuracy of this method, some test problem are considered, and it is shown that the obtained results are in very good agreement with exact solution. In the following, the proposed numerical solution is applied to exploring the effects of fractional parameters on the response of the beam and finally some conclusions are outlined.
Lima, C S; Barbosa, D; Ramos, J; Tavares, A; Monteiro, L; Carvalho, L
2008-01-01
This paper presents a system to support medical diagnosis and detection of abnormal lesions by processing capsule endoscopic images. Endoscopic images possess rich information expressed by texture. Texture information can be efficiently extracted from medium scales of the wavelet transform. The set of features proposed in this paper to code textural information is named color wavelet covariance (CWC). CWC coefficients are based on the covariances of second order textural measures, an optimum subset of them is proposed. Third and forth order moments are added to cope with distributions that tend to become non-Gaussian, especially in some pathological cases. The proposed approach is supported by a classifier based on radial basis functions procedure for the characterization of the image regions along the video frames. The whole methodology has been applied on real data containing 6 full endoscopic exams and reached 95% specificity and 93% sensitivity.
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Blaabjerg, Frede
2005-01-01
A new scheme to estimate the moment of inertia in the servo motor drive system in very low speed is proposed in this paper. The speed estimation scheme in most servo drive systems for low speed operation is sensitive to the variation of machine parameter, especially the moment of inertia....... To estimate the motor inertia value, the observer using the Radial Basis Function Network (RBFN) is applied. A control law for stabilizing the system and adaptive laws for updating both of the weights in the RBFN and a bounding constant are established so that the whole closed-loop system is stable...... in the sense of Lyapunov. The effectiveness of the proposed inertia estimation is verified by simulations and experiments. It is concluded that the speed control performance in low speed region is improved with the proposed disturbance observer using RBFN....
The mathematics of some tomography algorithms used at JET
Energy Technology Data Exchange (ETDEWEB)
Ingesson, L
2000-03-01
Mathematical details are given of various tomographic reconstruction algorithms that are in use at JET. These algorithms include constrained optimization (CO) with local basis functions, the Cormack method, methods with natural basis functions and the iterative projection-space reconstruction method. Topics discussed include: derivation of the matrix equation for constrained optimization, variable grid size, basis functions, line integrals, derivative matrices, smoothness matrices, analytical expression of the CO solution, sparse matrix storage, projection-space coordinates, the Cormack method in elliptical coordinates, interpolative generalized natural basis functions and some details of the implementation of the filtered backprojection method. (author)
Zeng, Xiang-Yang; Wang, Shu-Guang; Gao, Li-Ping
2010-09-01
As the basic data for virtual auditory technology, head-related transfer function (HRTF) has many applications in the areas of room acoustic modeling, spatial hearing and multimedia. How to individualize HRTF fast and effectively has become an opening problem at present. Based on the similarity and relativity of anthropometric structures, a hybrid HRTF customization algorithm, which has combined the method of principal component analysis (PCA), multiple linear regression (MLR) and database matching (DM), has been presented in this paper. The HRTFs selected by both the best match and the worst match have been applied into obtaining binaurally auralized sounds, which are then used for subjective listening experiments and the results are compared. For the area in the horizontal plane, the localization results have shown that the selection of HRTFs can enhance the localization accuracy and can also abate the problem of front-back confusion.
Gan, L.; Yang, F.; Shi, Y. F.; He, H. L.
2017-11-01
Many occasions related to batteries demand to know how much continuous and instantaneous power can batteries provide such as the rapidly developing electric vehicles. As the large-scale applications of lithium-ion batteries, lithium-ion batteries are used to be our research object. Many experiments are designed to get the lithium-ion battery parameters to ensure the relevance and reliability of the estimation. To evaluate the continuous and instantaneous load capability of a battery called state-of-function (SOF), this paper proposes a fuzzy logic algorithm based on battery state-of-charge(SOC), state-of-health(SOH) and C-rate parameters. Simulation and experimental results indicate that the proposed approach is suitable for battery SOF estimation.
International Nuclear Information System (INIS)
Tamura, Hiroyuki; Hikita, Shiro
1985-01-01
In this paper, we develop an interactive algorithm for identifying multiattribute measurable value functions based on the concept of finite-order independence of structural difference. This concept includes Dyer and Sarin's weak difference independence as special cases. The algorithm developed is composed of four major parts: 1) formulation of the problem 2) assessment of normalized conditional value functions and structural difference functions 3) assessment of corner values 4) assessment of the order of independence of structural difference and selection of the model. A hypothetical numerical example of a trade-off analysis for siting a nuclear power plant is included. (author)
Ma, B.; Li, J.; Fan, W.; Ren, H.; Xu, X.
2017-12-01
Leaf area index (LAI) is one of the important parameters of vegetation canopy structure, which can represent the growth condition of vegetation effectively. The accuracy, availability and timeliness of LAI data can be improved greatly, which is of great importance to vegetation-related research, such as the study of atmospheric, land surface and hydrological processes to obtain LAI by remote sensing method. Heihe River Basin is the inland river basin in northwest China. There are various types of vegetation and all kinds of terrain conditions in the basin, so it is helpful for testing the accuracy of the model under the complex surface and evaluating the correctness of the model to study LAI in this area. On the other hand, located in west arid area of China, the ecological environment of Heihe Basin is fragile, LAI is an important parameter to represent the vegetation growth condition, and can help us understand the status of vegetation in the Heihe River Basin. Different from the previous LAI inversion models, the BRDF (bidirectional reflectance distribution function) unified model can be applied for both continuous vegetation and discrete vegetation, it is appropriate to the complex vegetation distribution. LAI is the key input parameter of the model. We establish the inversion algorithm that can exactly retrieve LAI using remote sensing image based on the unified model. First, we determine the vegetation type through the vegetation classification map to obtain the corresponding G function, leaf and surface reflectivity. Then, we need to determine the leaf area index (LAI), the aggregation index (ζ) and the sky scattered light ratio (β) range and the value of the interval, entering all the parameters into the model to calculate the corresponding reflectivity ρ and establish the lookup table of different vegetation. Finally, we can invert LAI on the basis of the established lookup table. The principle of inversion is least squares method. We have produced 1 km
Directory of Open Access Journals (Sweden)
Jian-feng Zhao
2017-01-01
Full Text Available This paper presents a three-dimensional autonomous chaotic system with high fraction dimension. It is noted that the nonlinear characteristic of the improper fractional-order chaos is interesting. Based on the continuous chaos and the discrete wavelet function map, an image encryption algorithm is put forward. The key space is formed by the initial state variables, parameters, and orders of the system. Every pixel value is included in secret key, so as to improve antiattack capability of the algorithm. The obtained simulation results and extensive security analyses demonstrate the high level of security of the algorithm and show its robustness against various types of attacks.
Scale-up of nature’s tissue weaving algorithms to engineer advanced functional materials
Ng, Joanna L.; Knothe, Lillian E.; Whan, Renee M.; Knothe, Ulf; Tate, Melissa L. Knothe
2017-01-01
We are literally the stuff from which our tissue fabrics and their fibers are woven and spun. The arrangement of collagen, elastin and other structural proteins in space and time embodies our tissues and organs with amazing resilience and multifunctional smart properties. For example, the periosteum, a soft tissue sleeve that envelops all nonarticular bony surfaces of the body, comprises an inherently “smart” material that gives hard bones added strength under high impact loads. Yet a paucity of scalable bottom-up approaches stymies the harnessing of smart tissues’ biological, mechanical and organizational detail to create advanced functional materials. Here, a novel approach is established to scale up the multidimensional fiber patterns of natural soft tissue weaves for rapid prototyping of advanced functional materials. First second harmonic generation and two-photon excitation microscopy is used to map the microscopic three-dimensional (3D) alignment, composition and distribution of the collagen and elastin fibers of periosteum, the soft tissue sheath bounding all nonarticular bone surfaces in our bodies. Then, using engineering rendering software to scale up this natural tissue fabric, as well as multidimensional weaving algorithms, macroscopic tissue prototypes are created using a computer-controlled jacquard loom. The capacity to prototype scaled up architectures of natural fabrics provides a new avenue to create advanced functional materials.
International Nuclear Information System (INIS)
Sundararaman, Ravishankar; Goddard, William A. III; Arias, Tomas A.
2017-01-01
First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.
Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.
2017-03-01
First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.
The Support Reduction Algorithm for Computing Non-Parametric Function Estimates in Mixture Models
GROENEBOOM, PIET; JONGBLOED, GEURT; WELLNER, JON A.
2008-01-01
In this paper, we study an algorithm (which we call the support reduction algorithm) that can be used to compute non-parametric M-estimators in mixture models. The algorithm is compared with natural competitors in the context of convex regression and the ‘Aspect problem’ in quantum physics.
Directory of Open Access Journals (Sweden)
Young-Bo Sim
2017-11-01
Full Text Available In this paper, we proposed and developed Function-Oriented Networking (FON, a platform for network users. It has a different philosophy as opposed to technologies for network managers of Software-Defined Networking technology, OpenFlow. It is a technology that can immediately reflect the demands of the network users in the network, unlike the existing OpenFlow and Network Functions Virtualization (NFV, which do not reflect directly the needs of the network users. It allows the network user to determine the policy of the direct network, so it can be applied more precisely than the policy applied by the network manager. This is expected to increase the satisfaction of the service users when the network users try to provide new services. We developed FON function that performs on-demand routing for Low-Delay Required service. We analyzed the characteristics of the Ant Colony Optimization (ACO algorithm and found that the algorithm is suitable for low-delay required services. It was also the first in the world to implement the routing software using ACO Algorithm in the real Ethernet network. In order to improve the routing performance, several algorithms of the ACO Algorithm have been developed to enable faster path search-routing and path recovery. The relationship between the network performance index and the ACO routing parameters is derived, and the results are compared and analyzed. Through this, it was possible to develop the ACO algorithm.
Ortigue, S; Bianchi-Demicheli, F; Hamilton, A F de C; Grafton, S T
2007-07-01
Throughout the ages, love has been defined as a motivated and goal-directed mechanism with explicit and implicit mechanisms. Recent evidence demonstrated that the explicit representation of love recruits subcorticocortical pathways mediating reward, emotion, and motivation systems. However, the neural basis of the implicit (unconscious) representation of love remains unknown. To assess this question, we combined event-related functional magnetic resonance imaging (fMRI) with a behavioral subliminal priming paradigm embedded in a lexical decision task. In this task, the name of either a beloved partner, a neutral friend, or a passionate hobby was subliminally presented before a target stimulus (word, nonword, or blank), and participants were required to decide if the target was a word or not. Behavioral results showed that subliminal presentation of either a beloved's name (love prime) or a passion descriptor (passion prime) enhanced reaction times in a similar fashion. Subliminal presentation of a friend's name (friend prime) did not show any beneficial effects. Functional results showed that subliminal priming with a beloved's name (as opposed to either a friend's name or a passion descriptor) specifically recruited brain areas involved in abstract representations of others and the self, in addition to motivation circuits shared with other sources of passion. More precisely, love primes recruited the fusiform and angular gyri. Our findings suggest that love, as a subliminal prime, involves a specific neural network that surpasses a dopaminergic-motivation system.
Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli
2013-03-01
Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.
Energy Technology Data Exchange (ETDEWEB)
Kamph, Jerome Henri; Robinson, Darren; Wetter, Michael
2009-09-01
There is an increasing interest in the use of computer algorithms to identify combinations of parameters which optimise the energy performance of buildings. For such problems, the objective function can be multi-modal and needs to be approximated numerically using building energy simulation programs. As these programs contain iterative solution algorithms, they introduce discontinuities in the numerical approximation to the objective function. Metaheuristics often work well for such problems, but their convergence to a global optimum cannot be established formally. Moreover, different algorithms tend to be suited to particular classes of optimization problems. To shed light on this issue we compared the performance of two metaheuristics, the hybrid CMA-ES/HDE and the hybrid PSO/HJ, in minimizing standard benchmark functions and real-world building energy optimization problems of varying complexity. From this we find that the CMA-ES/HDE performs well on more complex objective functions, but that the PSO/HJ more consistently identifies the global minimum for simpler objective functions. Both identified similar values in the objective functions arising from energy simulations, but with different combinations of model parameters. This may suggest that the objective function is multi-modal. The algorithms also correctly identified some non-intuitive parameter combinations that were caused by a simplified control sequence of the building energy system that does not represent actual practice, further reinforcing their utility.
International Nuclear Information System (INIS)
Lee, Jae Sung; Nam, Hyun Woo; Lee, Dong Soo; Lee, Sang Kun; Jang, Myoung Jin; Ahn, Ji Young; Park, Kwang Suk; Chung, June Key; Lee, Myung Chul
2000-01-01
Episodic memory is described as an 'autobiographical' memory responsible for storing a record of the events in our lives. We performed functional brain activation study using H 2 1 5O PET to reveal the neural basis of the encoding and the retrieval of episodic memory in human normal volunteers. Four repeated H 2 1 5O PET scans with two reference and two activation tasks were performed on 6 normal volunteers to activate brain areas engaged in encoding and retrieval with verbal materials. Images from the same subject were spatially registered and normalized using linear and nonlinear transformation. Using the means and variances for every condition which were adjusted with analysis of covariance, t-statistic analysis were performed voxel-wise. Encoding of episodic memory activated the opercular and triangular parts of left inferior frontal gyrus, right prefrontal cortex, medial frontal area, cingulate gyrus, posterior middle and inferior temporal gyri, and cerebellum, and both primary visual and visual association areas. Retrieval of episodic memory activated the triangular part of left inferior frontal gyrus and inferior temporal gyrus, right prefrontal cortex and medial temporal ares, and both cerebellum and primary visual and visual association areas. The activations in the opercular part of left inferior frontal gyrus and the right prefrontal cortex meant the essential role of these areas in the encoding and retrieval of episodic memeory. We could localize the neural basis of the encoding and retrieval of episodic memory using H 2 1 5O PET, which was partly consistent with the hypothesis of hemispheric encoding/retrieval asymmetry.=20
Directory of Open Access Journals (Sweden)
A. K. CHOWDHURY
2016-02-01
Full Text Available In this paper an evolutionary technique for synthesizing Multi-Valued Logic (MVL functions using Neural Network Deployment Algorithm (NNDA is presented. The algorithm is combined with back-propagation learning capability and neural MVL operators. This research article is done to observe the anomalistic characteristics of MVL neural operators and their role in synthesis. The advantages of NNDA-MVL algorithm is demonstrated with realization of synthesized many valued functions with lesser MVL operators. The characteristic feature set consists of MVL gate count, network link count, network propagation delay and accuracy achieved in training. In brief, this paper depicts an effort of reduced network size for synthesized MVL functions. Trained MVL operators improve the basic architecture by reducing MIN gate and interlink connection by 52.94% and 23.38% respectively.
Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J; Vegge, Tejs
2014-09-28
Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat to be supplied, making the total efficiency lower. Here, we apply density functional theory (DFT) calculations to predict new mixed metal halide ammines with improved storage capacities and the ability to release the stored ammonia in one step, at temperatures suitable for system integration with polymer electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) - almost 27,000 combinations, and have identified novel mixtures, with significantly improved storage capacities. The size of the search space and the chosen fitness function make it possible to verify that the found candidates are the best possible candidates in the search space, proving that the GA implementation is ideal for this kind of computational materials design, requiring calculations on less than two percent of the candidates to identify the global optimum.
Energy Technology Data Exchange (ETDEWEB)
Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2016-05-21
With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.
Directory of Open Access Journals (Sweden)
Jaime A. Echeverri A.
2007-07-01
Full Text Available En este trabajo se muestra la utilización de funciones de base radial de soporte compacto para la reconstrucción tridimensional de rostros. En trabajos anteriores se habían explorado diferentes técnicas y diferentes funciones de base radial para reconstrucción de superficies; ahora presentamos los algoritmos y los resultados de la utilización de funciones de base radial de soporte compacto las cuales presentan ventajas comparativas en términos del tiempo de construcción de un interpolante para la reconstrucción. Se presentan comparaciones con técnicas ampliamente utilizadas en este campo y se detalla el proceso global de reconstrucción de superficies.In previous works, we have explored several radial basis techniques and functions for the reconstruction of surfaces. We now present the use of compact support radial basis functions for the tri-dimensional reconstruction of human faces. Therefore, we present algorithms and results coming from the application of compact support radial basis functions which have revealed comparative advantages in terms of the amount of time needed for the construction of an interpolant to be used in the reconstruction. We are also presenting some comparisons with techniques widely used in this field and we explain in detail the global process for the surfaces reconstruction.
Extension and optimization of the FIND algorithm: Computing Green’s and less-than Green’s functions
International Nuclear Information System (INIS)
Li, S.; Darve, E.
2012-01-01
Highlights: ► FIND is an algorithm for calculating entries of the inverse of a sparse matrix. ► We extend the algorithm to other matrix inverse related calculations. ► We exploit sparsity and symmetry to improve performance. - Abstract: The FIND algorithm is a fast algorithm designed to calculate certain entries of the inverse of a sparse matrix. Such calculation is critical in many applications, e.g., quantum transport in nano-devices. We extended the algorithm to other matrix inverse related calculations. Those are required for example to calculate the less-than Green’s function and the current density through the device. For a 2D device discretized as an N x × N y mesh, the best known algorithms have a running time of O(N x 3 N y ), whereas FIND only requires O(N x 2 N y ). Even though this complexity has been reduced by an order of magnitude, the matrix inverse calculation is still the most time consuming part in the simulation of transport problems. We could not reduce the order of complexity, but we were able to significantly reduce the constant factor involved in the computation cost. By exploiting the sparsity and symmetry, the size of the problem beyond which FIND is faster than other methods typically decreases from a 130 × 130 2D mesh down to a 40 × 40 mesh. These improvements make the optimized FIND algorithm even more competitive for real-life applications.
Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa
2018-02-01
Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.
Lu, Jia-hui; Zhang, Yi-bo; Zhang, Zhuo-yong; Meng, Qing-fan; Guo, Wei-liang; Teng, Li-rong
2008-06-01
A calibration model (WT-RBFNN) combination of wavelet transform (WT) and radial basis function neural network (RBFNN) was proposed for synchronous and rapid determination of rifampicin and isoniazide in Rifampicin and Isoniazide tablets by near infrared reflectance spectroscopy (NIRS). The approximation coefficients were used for input data in RBFNN. The network parameters including the number of hidden layer neurons and spread constant (SC) were investigated. WT-RBFNN model which compressed the original spectra data, removed the noise and the interference of background, and reduced the randomness, the capabilities of prediction were well optimized. The root mean square errors of prediction (RMSEP) for the determination of rifampicin and isoniazide obtained from the optimum WT-RBFNN model are 0.00639 and 0.00587, and the root mean square errors of cross-calibration (RMSECV) for them are 0.00604 and 0.00457, respectively which are superior to those obtained by the optimum RBFNN and PLS models. Regression coefficient (R) between NIRS predicted values and RP-HPLC values for rifampicin and isoniazide are 0.99522 and 0.99392, respectively and the relative error is lower than 2.300%. It was verified that WT-RBFNN model is a suitable approach to dealing with NIRS. The proposed WT-RBFNN model is convenient, and rapid and with no pollution for the determination of rifampicin and isoniazide tablets.
International Nuclear Information System (INIS)
Vaziri, Nima; Hojabri, Alireza; Erfani, Ali; Monsefi, Mehrdad; Nilforooshan, Behnam
2007-01-01
Critical heat flux (CHF) is an important parameter for the design of nuclear reactors. Although many experimental and theoretical researches have been performed, there is not a single correlation to predict CHF because it is influenced by many parameters. These parameters are based on fixed inlet, local and fixed outlet conditions. Artificial neural networks (ANNs) have been applied to a wide variety of different areas such as prediction, approximation, modeling and classification. In this study, two types of neural networks, radial basis function (RBF) and multilayer perceptron (MLP), are trained with the experimental CHF data and their performances are compared. RBF predicts CHF with root mean square (RMS) errors of 0.24%, 7.9%, 0.16% and MLP predicts CHF with RMS errors of 1.29%, 8.31% and 2.71%, in fixed inlet conditions, local conditions and fixed outlet conditions, respectively. The results show that neural networks with RBF structure have superior performance in CHF data prediction over MLP neural networks. The parametric trends of CHF obtained by the trained ANNs are also evaluated and results reported
International Nuclear Information System (INIS)
Roshani, G.H.; Nazemi, E.; Roshani, M.M.
2017-01-01
In this paper, a novel method is proposed for predicting the density of liquid phase in stratified regime of liquid-gas two phase flows by utilizing dual modality densitometry technique and artificial neural network (ANN) model of radial basis function (RBF). The detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors for registering transmitted and scattered photons. At the first step, a Monte Carlo simulation model was utilized to obtain the optimum position for the scattering detector in dual modality densitometry configuration. At the next step, an experimental setup was designed based on obtained optimum position for detectors from simulation in order to generate the required data for training and testing the ANN. The results show that the proposed approach could be successfully applied for predicting the density of liquid phase in stratified regime of gas-liquid two phase flows with mean relative error (MRE) of less than 0.701. - Highlights: • Density of liquid phase in stratified regime of two phase flows was predicted. • Combination of dual modality densitometry technique and ANN was utilized. • Detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors. • MCNP simulation was done to obtain the optimum position for the scattering detector. • An experimental setup was designed to generate the required data for training the ANN.
Directory of Open Access Journals (Sweden)
Seng-Chi Chen
2014-01-01
Full Text Available Studies on active magnetic bearing (AMB systems are increasing in popularity and practical applications. Magnetic bearings cause less noise, friction, and vibration than the conventional mechanical bearings; however, the control of AMB systems requires further investigation. The magnetic force has a highly nonlinear relation to the control current and the air gap. This paper proposes an intelligent control method for positioning an AMB system that uses a neural fuzzy controller (NFC. The mathematical model of an AMB system comprises identification followed by collection of information from this system. A fuzzy logic controller (FLC, the parameters of which are adjusted using a radial basis function neural network (RBFNN, is applied to the unbalanced vibration in an AMB system. The AMB system exhibited a satisfactory control performance, with low overshoot, and produced improved transient and steady-state responses under various operating conditions. The NFC has been verified on a prototype AMB system. The proposed controller can be feasibly applied to AMB systems exposed to various external disturbances; demonstrating the effectiveness of the NFC with self-learning and self-improving capacities is proven.
Anitha, J.; Vijila, C. Kezi Selva; Hemanth, D. Jude
2010-02-01
Diabetic retinopathy (DR) is a chronic eye disease for which early detection is highly essential to avoid any fatal results. Image processing of retinal images emerge as a feasible tool for this early diagnosis. Digital image processing techniques involve image classification which is a significant technique to detect the abnormality in the eye. Various automated classification systems have been developed in the recent years but most of them lack high classification accuracy. Artificial neural networks are the widely preferred artificial intelligence technique since it yields superior results in terms of classification accuracy. In this work, Radial Basis function (RBF) neural network based bi-level classification system is proposed to differentiate abnormal DR Images and normal retinal images. The results are analyzed in terms of classification accuracy, sensitivity and specificity. A comparative analysis is performed with the results of the probabilistic classifier namely Bayesian classifier to show the superior nature of neural classifier. Experimental results show promising results for the neural classifier in terms of the performance measures.
Schmidt, J.; Piret, C.; Zhang, N.; Kadlec, B. J.; Liu, Y.; Yuen, D. A.; Wright, G. B.; Sevre, E. O.
2008-12-01
The faster growth curves in the speed of GPUs relative to CPUs in recent years and its rapidly gained popularity has spawned a new area of development in computational technology. There is much potential in utilizing GPUs for solving evolutionary partial differential equations and producing the attendant visualization. We are concerned with modeling tsunami waves, where computational time is of extreme essence, for broadcasting warnings. In order to test the efficacy of the GPU on the set of shallow-water equations, we employed the NVIDIA board 8600M GT on a MacBook Pro. We have compared the relative speeds between the CPU and the GPU on a single processor for two types of spatial discretization based on second-order finite-differences and radial basis functions. RBFs are a more novel method based on a gridless and a multi- scale, adaptive framework. Using the NVIDIA 8600M GT, we received a speed up factor of 8 in favor of GPU for the finite-difference method and a factor of 7 for the RBF scheme. We have also studied the atmospheric dynamics problem of swirling flows over a spherical surface and found a speed-up of 5.3 using the GPU. The time steps employed for the RBF method are larger than those used in finite-differences, because of the much fewer number of nodal points needed by RBF. Thus, in modeling the same physical time, RBF acting in concert with GPU would be the fastest way to go.
Liu, Yin; Belkina, Natalya V; Graham, Caroline; Shaw, Stephen
2006-04-28
Activation loop phosphorylation plays critical regulatory roles for many kinases. Unlike other protein kinase Cs (PKC), PKC-delta does not require phosphorylation of its activation loop (Thr-507) for in vitro activity. We investigated the structural basis for this unusual capacity and its relevance to PKC-delta function in intact cells. Mutational analysis demonstrated that activity without Thr-507 phosphorylation depends on 20 residues N-terminal to the kinase domain and a pair of phenylalanines (Phe-500/Phe-527) unique to PKC-delta in/near the activation loop. Molecular modeling demonstrated that these elements stabilize the activation loop by forming a hydrophobic chain of interactions from the C-lobe to activation loop to N-terminal (helical) extension. In cells PKC-delta mediates both apoptosis and transcription regulation. We found that the T507A mutant of the PKC-delta kinase domain resembled the corresponding wild type in mediating apoptosis in transfected HEK293T cells. But the T507A mutant was completely defective in AP-1 and NF-kappaB reporter assays. A novel assay in which the kinase domain of PKC-delta and its substrate (a fusion protein of PKC substrate peptide with green fluorescent protein) were co-targeted to lipid rafts revealed a major substrate-selective defect of the T507A mutant in phosphorylating the substrate in cells. In vitro analysis showed strong product inhibition on the T507A mutant with particular substrates whose characteristics suggest it contributes to the substrate selective defect of the PKC-delta T507A mutant in cells. Thus, activation loop phosphorylation of PKC-delta may regulate its function in cells in a novel way.
Divasón, Jose; Joosten, Sebastiaan; Thiemann, René; Yamada, Akihisa
2018-01-01
The Lenstra-Lenstra-Lovász basis reduction algorithm, also known as LLL algorithm, is an algorithm to find a basis with short, nearly orthogonal vectors of an integer lattice. Thereby, it can also be seen as an approximation to solve the shortest vector problem (SVP), which is an NP-hard problem,
Quantum Computations: Fundamentals and Algorithms
International Nuclear Information System (INIS)
Duplij, S.A.; Shapoval, I.I.
2007-01-01
Basic concepts of quantum information theory, principles of quantum calculations and the possibility of creation on this basis unique on calculation power and functioning principle device, named quantum computer, are concerned. The main blocks of quantum logic, schemes of quantum calculations implementation, as well as some known today effective quantum algorithms, called to realize advantages of quantum calculations upon classical, are presented here. Among them special place is taken by Shor's algorithm of number factorization and Grover's algorithm of unsorted database search. Phenomena of decoherence, its influence on quantum computer stability and methods of quantum errors correction are described
Peck, Charles C.; Dhawan, Atam P.; Meyer, Claudia M.
1991-01-01
A genetic algorithm is used to select the inputs to a neural network function approximator. In the application considered, modeling critical parameters of the space shuttle main engine (SSME), the functional relationship between measured parameters is unknown and complex. Furthermore, the number of possible input parameters is quite large. Many approaches have been used for input selection, but they are either subjective or do not consider the complex multivariate relationships between parameters. Due to the optimization and space searching capabilities of genetic algorithms they were employed to systematize the input selection process. The results suggest that the genetic algorithm can generate parameter lists of high quality without the explicit use of problem domain knowledge. Suggestions for improving the performance of the input selection process are also provided.
Energy Technology Data Exchange (ETDEWEB)
Srikannathasan, Velupillai; English, Grant [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Bui, Nhat Khai [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A. [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Vollmer, Waldemar [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Coulthurst, Sarah J., E-mail: s.j.coulthurst@dundee.ac.uk; Hunter, William N., E-mail: s.j.coulthurst@dundee.ac.uk [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom)
2013-12-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
International Nuclear Information System (INIS)
Srikannathasan, Velupillai; English, Grant; Bui, Nhat Khai; Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A.; Vollmer, Waldemar; Coulthurst, Sarah J.; Hunter, William N.
2013-01-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
Directory of Open Access Journals (Sweden)
Juan Carlos Figueroa García
2011-12-01
The presented approach uses an iterative algorithm which finds stable solutions to problems with fuzzy parameter sinboth sides of an FLP problem. The algorithm is based on the soft constraints method proposed by Zimmermann combined with an iterative procedure which gets a single optimal solution.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)
2017-04-15
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.
International Nuclear Information System (INIS)
Ermakov, A.I.; Belousov, V.V.
2007-01-01
Relaxation effect of functions of the basis sets (BS) STO-3G and 6-31G* on their equilibration in the series of isoelectron molecules: LiF, BeO, BN and C 2 is considered. Values of parameters (exponential factor of basis functions, orbital exponents of Gauss primitives and coefficients of their grouping) of basis functions in molecules are discovered using the criterion of minimum of energy by the unlimited Hartree-Fock method calculations (UHF) with the help of direct optimization of parameters: the simplex-method and Rosenbrock method. Certain schemes of optimization differing by the amount of varying parameters have been done. Interaction of basis functions parameters of concerned sets through medium values of the Gauss exponents is established. Effects of relaxation on the change of full energy and relative errors of the calculations of interatomic distances, normal oscillations frequencies, dissociation energy and other properties of molecules are considered. Change of full energy during the relaxation of basis functions (RBF) STO-3G and 6-31G* amounts 1100 and 80 kJ/mol correspondingly, and it is in need of the account during estimation of energetic characteristics, especially for systems with high-polar chemical bonds. The relaxation BS STO-3G practically in all considered cases improves description of molecular properties, whereas the relaxation BS 6-31G* lightly effects on its equilibration [ru
Directory of Open Access Journals (Sweden)
Giovanni ePezzulo
2013-11-01
Full Text Available The article explores the possibilities of formalizing and explaining the mechanisms that support spatial and social perspective alignment sustained over the duration of a social interaction. The basic proposed principle is that in social contexts the mechanisms for sensorimotor transformations and multisensory integration (learn to incorporate information relative to the other actor(s, similar to the "re-calibration" of visual receptive fields in response to repeated tool use. This process aligns or merges the co-actors' spatial representations and creates a "Shared Action Space" supporting key computations of social interactions and joint actions; for example, the remapping between the coordinate systems and frames of reference of the co-actors, including perspective taking, the sensorimotor transformations required for lifting jointly an object, and the predictions of the sensory effects of such joint action. The social re-calibration is proposed to be based on common basis function maps and could constitute an optimal solution to sensorimotor transformation and multisensory integration in joint action or more in general social interaction contexts. However, certain situations such as discrepant postural and viewpoint alignment and associated differences in perspectives between the co-actors could constrain the process quite differently. We discuss how alignment is achieved in the first place, and how it is maintained over time, providing a taxonomy of various forms and mechanisms of space alignment and overlap based, for instance, on automaticity vs. control of the transformations between the two agents. Finally, we discuss the link between low-level mechanisms for the sharing of space and high-level mechanisms for the sharing of cognitive representations.
International Nuclear Information System (INIS)
Roshani, G.H.; Nazemi, E.; Roshani, M.M.
2017-01-01
Changes of fluid properties (especially density) strongly affect the performance of radiation-based multiphase flow meter and could cause error in recognizing the flow pattern and determining void fraction. In this work, we proposed a methodology based on combination of multi-beam gamma ray attenuation and dual modality densitometry techniques using RBF neural network in order to recognize the flow regime and determine the void fraction in gas-liquid two phase flows independent of the liquid phase changes. The proposed system is consisted of one 137 Cs source, two transmission detectors and one scattering detector. The registered counts in two transmission detectors were used as the inputs of one primary Radial Basis Function (RBF) neural network for recognizing the flow regime independent of liquid phase density. Then, after flow regime identification, three RBF neural networks were utilized for determining the void fraction independent of liquid phase density. Registered count in scattering detector and first transmission detector were used as the inputs of these three RBF neural networks. Using this simple methodology, all the flow patterns were correctly recognized and the void fraction was predicted independent of liquid phase density with mean relative error (MRE) of less than 3.28%. - Highlights: • Flow regime and void fraction were determined in two phase flows independent of the liquid phase density changes. • An experimental structure was set up and the required data was obtained. • 3 detectors and one gamma source were used in detection geometry. • RBF networks were utilized for flow regime and void fraction determination.
Wielicki, B. A. (Principal Investigator); Barkstrom, B. R. (Principal Investigator); Charlock, T. P.; Baum, B. A.; Green, R. N.; Minnis, P.; Smith, G. L.; Coakley, J. A.; Randall, D. R.; Lee, R. B., III
1995-01-01
The theoretical bases for the Release 1 algorithms that will be used to process satellite data for investigation of the Clouds and Earth's Radiant Energy System (CERES) are described. The architecture for software implementation of the methodologies is outlined. Volume 2 details the techniques used to geolocate and calibrate the CERES scanning radiometer measurements of shortwave and longwave radiance to invert the radiances to top-of-the-atmosphere (TOA) and surface fluxes following the Earth Radiation Budget Experiment (ERBE) approach, and to average the fluxes over various time and spatial scales to produce an ERBE-like product. Spacecraft ephemeris and sensor telemetry are used with calibration coefficients to produce a chronologically ordered data product called bidirectional scan (BDS) radiances. A spatially organized instrument Earth scan product is developed for the cloud-processing subsystem. The ERBE-like inversion subsystem converts BDS radiances to unfiltered instantaneous TOA and surface fluxes. The TOA fluxes are determined by using established ERBE techniques. Hourly TOA fluxes are computed from the instantaneous values by using ERBE methods. Hourly surface fluxes are estimated from TOA fluxes by using simple parameterizations based on recent research. The averaging process produces daily, monthly-hourly, and monthly means of TOA and surface fluxes at various scales. This product provides a continuation of the ERBE record.
International Nuclear Information System (INIS)
Zajic, T.; Fischer, R.; Brink, I.; Moser, E.; Krause, T.; Saurbier, B.
2001-01-01
Aim: Left ventricular volume and function can be computed from gated SPECT myocardial perfusion imaging using emory cardiac toolbox (ECT) or gated SPECT quantification (GS-Quant). The aim of this study was to compare both programs with respect to their practical application, stability and precision on heart-models as well as in clinical use. Methods: The volumes of five cardiac models were calculated by ECT and GS-Quant. 48 patients (13 female, 35 male) underwent a one day stress-rest protocol and gated SPECT. From these 96 gated SPECT images, left ventricular ejection fraction (LVEF), end-diastolic volume (EDV) and end-systolic volume (ESV) were estimated by ECT and GS-Quant. For 42 patients LVEF was also determined by echocardiography. Results: For the cardiac models the computed volumes showed high correlation with the model-volumes as well as high correlation between ECT and GS-Quant (r ≥0.99). Both programs underestimated the volume by approximately 20-30% independent of the ventricle-size. Calculating LVEF, EDV and ESV, GS-Quant and ECT correlated well to each other and to the LVEF estimated by echocardiography (r ≥0.86). LVEF values determined with ECT were about 10% higher than values determined with GS-Quant or echocardiography. The incorrect surfaces calculated by the automatic algorithm of GS-Quant for three examinations could not be corrected manually. 34 of the ECT studies were optimized by the operator. Conclusion: GS-Quant and ECT are two reliable programs in estimating LVEF. Both seem to underestimate the cardiac volume. In practical application GS-Quant was faster and easier to use. ECT allows the user to define the contour of the ventricle and thus is less susceptible to artifacts. (orig.) [de
Energy Technology Data Exchange (ETDEWEB)
Hurtado, S. [Servicio de Radioisotopos, Centro de Investigacion, Tecnologia e Innovacion (CITIUS), Universidad de Sevilla, Avda. Reina Mercedes s/n, 41012 Sevilla (Spain)], E-mail: shurtado@us.es; Garcia-Leon, M. [Departamento de Fisica Atomica, Molecular y Nuclear, Facultad de Fisica, Universidad de Sevilla, Aptd. 1065, 41080 Sevilla (Spain); Garcia-Tenorio, R. [Departamento de Fisica Aplicada II, E.T.S.A. Universidad de Sevilla, Avda, Reina Mercedes 2, 41012 Sevilla (Spain)
2008-09-11
In this work several mathematical functions are compared in order to perform the full-energy peak efficiency calibration of HPGe detectors using a 126cm{sup 3} HPGe coaxial detector and gamma-ray energies ranging from 36 to 1460 keV. Statistical tests and Monte Carlo simulations were used to study the performance of the fitting curve equations. Furthermore the fitting procedure of these complex functional forms to experimental data is a non-linear multi-parameter minimization problem. In gamma-ray spectrometry usually non-linear least-squares fitting algorithms (Levenberg-Marquardt method) provide a fast convergence while minimizing {chi}{sub R}{sup 2}, however, sometimes reaching only local minima. In order to overcome that shortcoming a hybrid algorithm based on simulated annealing (HSA) techniques is proposed. Additionally a new function is suggested that models the efficiency curve of germanium detectors in gamma-ray spectrometry.
Directory of Open Access Journals (Sweden)
Rabha W. Ibrahim
2018-01-01
Full Text Available The maximum min utility function (MMUF problem is an important representative of a large class of cloud computing systems (CCS. Having numerous applications in practice, especially in economy and industry. This paper introduces an effective solution-based search (SBS algorithm for solving the problem MMUF. First, we suggest a new formula of the utility function in term of the capacity of the cloud. We formulate the capacity in CCS, by using a fractional diffeo-integral equation. This equation usually describes the flow of CCS. The new formula of the utility function is modified recent active utility functions. The suggested technique first creates a high-quality initial solution by eliminating the less promising components, and then develops the quality of the achieved solution by the summation search solution (SSS. This method is considered by the Mittag-Leffler sum as hash functions to determine the position of the agent. Experimental results commonly utilized in the literature demonstrate that the proposed algorithm competes approvingly with the state-of-the-art algorithms both in terms of solution quality and computational efficiency.
MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.
2007-01-01
A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.
Directory of Open Access Journals (Sweden)
Jian Yin
2016-08-01
Full Text Available In the Yellow River basin, China, ecosystems suffer from the overexploitation and utilization of water resources, resulting in various environmental impacts. Consideration must be given to both human and ecosystem water requirements in water resources management. A water footprint (WF is a tool for estimating industrial, agricultural, commercial and household water requirements and for examining the impact of consumption on water resources. The study attempts to establish an approach to analyse the dynamic processes and driving forces that result in certain WFs. Using input–output tables for provinces and municipalities, we calculate water use coefficients, the total WF and the net external WF of consumption in China’s Yellow River Basin. A biproportional algorithm is employed to revise the input–output tables for analysing the temporal dynamics of the WF. The factor analysis and linear regression were used to analyse the main influencing factors of WF. Results indicate that the coefficient for water use by primary industries is highest and that coefficients for provincial water use differ significantly. Second, household consumption and residuals from capital accumulation constituted approximately half of the total WF of the Yellow River basin in 2002 and also differed significantly among provinces. Third, the ratio of the net external WF to the total WF increased, and the ratio of final consumption to the total WF declined during the period examined. Fourth, output by secondary industries correlated most strongly with the WF, followed by area under irrigation, per capita meat consumption, water consumption per 10,000-yuan increase in added value and population.
Wang, Feng; Pang, Wenning; Duffy, Patrick
2012-12-01
Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the
Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.
2012-10-01
We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.
Scemama, Anthony; Renon, Nicolas; Rapacioli, Mathias
2014-06-10
We present an algorithm and its parallel implementation for solving a self-consistent problem as encountered in Hartree-Fock or density functional theory. The algorithm takes advantage of the sparsity of matrices through the use of local molecular orbitals. The implementation allows one to exploit efficiently modern symmetric multiprocessing (SMP) computer architectures. As a first application, the algorithm is used within the density-functional-based tight binding method, for which most of the computational time is spent in the linear algebra routines (diagonalization of the Fock/Kohn-Sham matrix). We show that with this algorithm (i) single point calculations on very large systems (millions of atoms) can be performed on large SMP machines, (ii) calculations involving intermediate size systems (1000-100 000 atoms) are also strongly accelerated and can run efficiently on standard servers, and (iii) the error on the total energy due to the use of a cutoff in the molecular orbital coefficients can be controlled such that it remains smaller than the SCF convergence criterion.
A Pareto Algorithm for Efficient De Novo Design of Multi-functional Molecules.
Daeyaert, Frits; Deem, Micheal W
2017-01-01
We have introduced a Pareto sorting algorithm into Synopsis, a de novo design program that generates synthesizable molecules with desirable properties. We give a detailed description of the algorithm and illustrate its working in 2 different de novo design settings: the design of putative dual and selective FGFR and VEGFR inhibitors, and the successful design of organic structure determining agents (OSDAs) for the synthesis of zeolites. We show that the introduction of Pareto sorting not only enables the simultaneous optimization of multiple properties but also greatly improves the performance of the algorithm to generate molecules with hard-to-meet constraints. This in turn allows us to suggest approaches to address the problem of false positive hits in de novo structure based drug design by introducing structural and physicochemical constraints in the designed molecules, and by forcing essential interactions between these molecules and their target receptor. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Villalba-Morales, Jesús Daniel; Laier, José Elias
2014-01-01
Structural damage detection has become an important research topic in certain segments of the engineering community. These methodologies occasionally formulate an optimization problem by defining an objective function based on dynamic parameters, with metaheuristics used to find the solution. In this study, damage localization and quantification is performed by an Adaptive Differential Evolution algorithm, which solves the associated optimization problem. Furthermore, this paper looks at the ...
Directory of Open Access Journals (Sweden)
Ewiak Ireneusz
2016-12-01
Full Text Available Available on the commercial market are a number of algorithms that enable assigning to pixels of a monochrome digital image suitable colors according to a strictly defined schedule. These algorithms have been recently used by professional film studios involved in the coloring of archival productions. This article provides an overview on the functionality of coloring algorithms in terms of their use to improve the interpretation quality of historical, black - and - white aerial photographs. The analysis covered intuitive (Recolored programs, as well as more advanced (Adobe After Effect, DaVinci Resolve programs. The use of their full functionality was limited by the too large information capacity of aerial photograph images. Black - and - white historical aerial photographs, which interpretation quality in many cases does not meet the criteria posed on photogrammetric developments, require an increase of their readability. The solution in this regard may be the process of coloring images. The authors of this article conducted studies aimed to determine to what extent the tested coloring algorithms enable an automatic detection of land cover elements on historical aerial photographs and provide color close to the natural. Used in the studies were archival black - and - white aerial photographs of the western part of Warsaw district made available by the Main Centre of Geodetic and Cartographic Documentation , the selection of which was associated with the presence in this area of various elements of land cover, such as water, forests, crops, exposed soils and also anthropogenic objects. In the analysis of different algorithms are included: format and size of the image, degree of automation of the process, degree of compliance of the result and processing time. The accuracy of the coloring process was different for each class of objects mapped on the photograph. The main limitation of the coloring process created shadows of anthropogenic objects
Gabor, A.F.; Ommeren, van J.C.W.
2006-01-01
In this article we focus on approximation algorithms for facility location problems with subadditive costs. As examples of such problems, we present three facility location problems with stochastic demand and exponential servers, respectively inventory. We present a (1+e,1)-reduction of the facility
Gabor, Adriana F.; van Ommeren, Jan C.W.
2006-01-01
In this article we focus on approximation algorithms for facility location problems with subadditive costs. As examples of such problems, we present three facility location problems with stochastic demand and exponential servers, respectively inventory. We present a $(1+\\varepsilon, 1)$-reduction of
Approximation algorithms for facility location problems with discrete subadditive cost functions
Gabor, A.F.; van Ommeren, Jan C.W.
2005-01-01
In this article we focus on approximation algorithms for facility location problems with subadditive costs. As examples of such problems, we present two facility location problems with stochastic demand and exponential servers, respectively inventory. We present a $(1+\\epsilon,1)$- reduction of the
The development of a new algorithm to calculate a survival function in non-parametric ways
International Nuclear Information System (INIS)
Ahn, Kwang Won; Kim, Yoon Ik; Chung, Chang Hyun; Kim, Kil Yoo
2001-01-01
In this study, a generalized formula of the Kaplan-Meier method is developed. The idea of this algorithm is that the result of the Kaplan-Meier estimator is the same as that of the redistribute-to-the right algorithm. Hence, the result of the Kaplan-Meier estimator is used when we redistribute to the right. This can be explained as the following steps, at first, the same mass is distributed to all the points. At second, when you reach the censored points, you must redistribute the mass of that point to the right according to the following rule; to normalize the masses, which are located to the right of the censored point, and redistribute the mass of the censored point to the right according to the ratio of the normalized mass. Until now, we illustrate the main idea of this algorithm.The meaning of that idea is more efficient than PL-estimator in the sense that it decreases the mass of after that area. Just like a redistribute to the right algorithm, this method is enough for the probability theory
Rapisarda, E; Bettinardi, V; Thielemans, K; Gilardi, M C
2010-07-21
The interest in positron emission tomography (PET) and particularly in hybrid integrated PET/CT systems has significantly increased in the last few years due to the improved quality of the obtained images. Nevertheless, one of the most important limits of the PET imaging technique is still its poor spatial resolution due to several physical factors originating both at the emission (e.g. positron range, photon non-collinearity) and at detection levels (e.g. scatter inside the scintillating crystals, finite dimensions of the crystals and depth of interaction). To improve the spatial resolution of the images, a possible way consists of measuring the point spread function (PSF) of the system and then accounting for it inside the reconstruction algorithm. In this work, the system response of the GE Discovery STE operating in 3D mode has been characterized by acquiring (22)Na point sources in different positions of the scanner field of view. An image-based model of the PSF was then obtained by fitting asymmetric two-dimensional Gaussians on the (22)Na images reconstructed with small pixel sizes. The PSF was then incorporated, at the image level, in a three-dimensional ordered subset maximum likelihood expectation maximization (OS-MLEM) reconstruction algorithm. A qualitative and quantitative validation of the algorithm accounting for the PSF has been performed on phantom and clinical data, showing improved spatial resolution, higher contrast and lower noise compared with the corresponding images obtained using the standard OS-MLEM algorithm.
Directory of Open Access Journals (Sweden)
Qiang Zhang
2017-09-01
Full Text Available Course keeping is hard to implement under the condition of the propeller stopping or reversing at slow speed for berthing due to the ship's dynamic motion becoming highly nonlinear. To solve this problem, a practical Maneuvering Modeling Group (MMG ship mathematic model with propeller reversing transverse forces and low speed correction is first discussed to be applied for the right-handed single-screw ship. Secondly, a novel PID-based nonlinear feedback algorithm driven by bipolar sigmoid function is proposed. The PID parameters are determined by a closed-loop gain shaping algorithm directly, while the closed-loop gain shaping theory was employed for effects analysis of this algorithm. Finally, simulation experiments were carried out on an LPG ship. It is shown that the energy consumption and the smoothness performance of the nonlinear feedback control are reduced by 4.2% and 14.6% with satisfactory control effects; the proposed algorithm has the advantages of robustness, energy saving and safety in berthing practice.
Feng, Fei; Li, Xianglan; Yao, Yunjun; Liang, Shunlin; Chen, Jiquan; Zhao, Xiang; Jia, Kun; Pintér, Krisztina; McCaughey, J Harry
2016-01-01
Accurate estimation of latent heat flux (LE) based on remote sensing data is critical in characterizing terrestrial ecosystems and modeling land surface processes. Many LE products were released during the past few decades, but their quality might not meet the requirements in terms of data consistency and estimation accuracy. Merging multiple algorithms could be an effective way to improve the quality of existing LE products. In this paper, we present a data integration method based on modified empirical orthogonal function (EOF) analysis to integrate the Moderate Resolution Imaging Spectroradiometer (MODIS) LE product (MOD16) and the Priestley-Taylor LE algorithm of Jet Propulsion Laboratory (PT-JPL) estimate. Twenty-two eddy covariance (EC) sites with LE observation were chosen to evaluate our algorithm, showing that the proposed EOF fusion method was capable of integrating the two satellite data sets with improved consistency and reduced uncertainties. Further efforts were needed to evaluate and improve the proposed algorithm at larger spatial scales and time periods, and over different land cover types.
Mateos-Pérez, José María; Soto-Montenegro, María Luisa; Peña-Zalbidea, Santiago; Desco, Manuel; Vaquero, Juan José
2016-02-01
We present a novel segmentation algorithm for dynamic PET studies that groups pixels according to the similarity of their time-activity curves. Sixteen mice bearing a human tumor cell line xenograft (CH-157MN) were imaged with three different (68)Ga-DOTA-peptides (DOTANOC, DOTATATE, DOTATOC) using a small animal PET-CT scanner. Regional activities (input function and tumor) were obtained after manual delineation of regions of interest over the image. The algorithm was implemented under the jClustering framework and used to extract the same regional activities as in the manual approach. The volume of distribution in the tumor was computed using the Logan linear method. A Kruskal-Wallis test was used to investigate significant differences between the manually and automatically obtained volumes of distribution. The algorithm successfully segmented all the studies. No significant differences were found for the same tracer across different segmentation methods. Manual delineation revealed significant differences between DOTANOC and the other two tracers (DOTANOC - DOTATATE, p=0.020; DOTANOC - DOTATOC, p=0.033). Similar differences were found using the leader-follower algorithm. An open implementation of a novel segmentation method for dynamic PET studies is presented and validated in rodent studies. It successfully replicated the manual results obtained in small-animal studies, thus making it a reliable substitute for this task and, potentially, for other dynamic segmentation procedures. Copyright © 2016 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Hollauer, E.; Nascimento, M.A.C.
1985-01-01
The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt
Properties of healthcare teaming networks as a function of network construction algorithms.
Directory of Open Access Journals (Sweden)
Martin S Zand
Full Text Available Network models of healthcare systems can be used to examine how providers collaborate, communicate, refer patients to each other, and to map how patients traverse the network of providers. Most healthcare service network models have been constructed from patient claims data, using billing claims to link a patient with a specific provider in time. The data sets can be quite large (106-108 individual claims per year, making standard methods for network construction computationally challenging and thus requiring the use of alternate construction algorithms. While these alternate methods have seen increasing use in generating healthcare networks, there is little to no literature comparing the differences in the structural properties of the generated networks, which as we demonstrate, can be dramatically different. To address this issue, we compared the properties of healthcare networks constructed using different algorithms from 2013 Medicare Part B outpatient claims data. Three different algorithms were compared: binning, sliding frame, and trace-route. Unipartite networks linking either providers or healthcare organizations by shared patients were built using each method. We find that each algorithm produced networks with substantially different topological properties, as reflected by numbers of edges, network density, assortativity, clustering coefficients and other structural measures. Provider networks adhered to a power law, while organization networks were best fit by a power law with exponential cutoff. Censoring networks to exclude edges with less than 11 shared patients, a common de-identification practice for healthcare network data, markedly reduced edge numbers and network density, and greatly altered measures of vertex prominence such as the betweenness centrality. Data analysis identified patterns in the distance patients travel between network providers, and a striking set of teaming relationships between providers in the Northeast
Noniterative accurate algorithm for the exact exchange potential of density-functional theory
International Nuclear Information System (INIS)
Cinal, M.; Holas, A.
2007-01-01
An algorithm for determination of the exchange potential is constructed and tested. It represents a one-step procedure based on the equations derived by Krieger, Li, and Iafrate (KLI) [Phys. Rev. A 46, 5453 (1992)], implemented already as an iterative procedure by Kuemmel and Perdew [Phys. Rev. Lett. 90, 043004 (2003)]. Due to suitable transformation of the KLI equations, we can solve them avoiding iterations. Our algorithm is applied to the closed-shell atoms, from Be up to Kr, within the DFT exchange-only approximation. Using pseudospectral techniques for representing orbitals, we obtain extremely accurate values of total and orbital energies with errors at least four orders of magnitude smaller than known in the literature
International Nuclear Information System (INIS)
Durrans, R.F.
1978-12-01
In order to design reactor structures to withstand the large flow and acoustic forces present it is necessary to know something of their dynamic properties. In many cases these properties cannot be predicted theoretically and it is necessary to determine them experimentally. The algorithm MIDAS (Modal Identification for the Dynamic Analysis of Structures) which has been developed at B.N.L. for extracting these structural properties from experimental data is described. (author)
A new BP Fourier algorithm and its application in English teaching evaluation
Pei, Xuehui; Pei, Guixin
2017-08-01
BP neural network algorithm has wide adaptability and accuracy when used in complicated system evaluation, but its calculation defects such as slow convergence have limited its practical application. The paper tries to speed up the calculation convergence of BP neural network algorithm with Fourier basis functions and presents a new BP Fourier algorithm for complicated system evaluation. First, shortages and working principle of BP algorithm are analyzed for subsequent targeted improvement; Second, the presented BP Fourier algorithm adopts Fourier basis functions to simplify calculation structure, designs new calculation transfer function between input and output layers, and conducts theoretical analysis to prove the efficiency of the presented algorithm; Finally, the presented algorithm is used in evaluating university English teaching and the application results shows that the presented BP Fourier algorithm has better performance in calculation efficiency and evaluation accuracy and can be used in evaluating complicated system practically.
Asiri, Sharefa M.; Elmetennani, Shahrazed; Laleg-Kirati, Taous-Meriem
2017-01-01
In this paper, an on-line estimation algorithm of the source term in a first order hyperbolic PDE is proposed. This equation describes heat transport dynamics in concentrated solar collectors where the source term represents the received energy. This energy depends on the solar irradiance intensity and the collector characteristics affected by the environmental changes. Control strategies are usually used to enhance the efficiency of heat production; however, these strategies often depend on the source term which is highly affected by the external working conditions. Hence, efficient source estimation methods are required. The proposed algorithm is based on modulating functions method where a moving horizon strategy is introduced. Numerical results are provided to illustrate the performance of the proposed estimator in open and closed loops.
Asiri, Sharefa M.
2017-08-22
In this paper, an on-line estimation algorithm of the source term in a first order hyperbolic PDE is proposed. This equation describes heat transport dynamics in concentrated solar collectors where the source term represents the received energy. This energy depends on the solar irradiance intensity and the collector characteristics affected by the environmental changes. Control strategies are usually used to enhance the efficiency of heat production; however, these strategies often depend on the source term which is highly affected by the external working conditions. Hence, efficient source estimation methods are required. The proposed algorithm is based on modulating functions method where a moving horizon strategy is introduced. Numerical results are provided to illustrate the performance of the proposed estimator in open and closed loops.
Palacios, Sherry L.; Schafer, Chris; Broughton, Jennifer; Guild, Liane S.; Kudela, Raphael M.
2013-01-01
There is a need in the Biological Oceanography community to discriminate among phytoplankton groups within the bulk chlorophyll pool to understand energy flow through ecosystems, to track the fate of carbon in the ocean, and to detect and monitor-for harmful algal blooms (HABs). The ocean color community has responded to this demand with the development of phytoplankton functional type (PFT) discrimination algorithms. These PFT algorithms fall into one of three categories depending on the science application: size-based, biogeochemical function, and taxonomy. The new PFT algorithm Phytoplankton Detection with Optics (PHYDOTax) is an inversion algorithm that discriminates taxon-specific biomass to differentiate among six taxa found in the California Current System: diatoms, dinoflagellates, haptophytes, chlorophytes, cryptophytes, and cyanophytes. PHYDOTax was developed and validated in Monterey Bay, CA for the high resolution imaging spectrometer, Spectroscopic Aerial Mapping System with On-board Navigation (SAMSON - 3.5 nm resolution). PHYDOTax exploits the high spectral resolution of an imaging spectrometer and the improved spatial resolution that airborne data provides for coastal areas. The objective of this study was to apply PHYDOTax to a relatively lower resolution imaging spectrometer to test the algorithm's sensitivity to atmospheric correction, to evaluate capability with other sensors, and to determine if down-sampling spectral resolution would degrade its ability to discriminate among phytoplankton taxa. This study is a part of the larger Hyperspectral Infrared Imager (HyspIRI) airborne simulation campaign which is collecting Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) imagery aboard NASA's ER-2 aircraft during three seasons in each of two years over terrestrial and marine targets in California. Our aquatic component seeks to develop and test algorithms to retrieve water quality properties (e.g. HABs and river plumes) in both marine and in
Directory of Open Access Journals (Sweden)
Supriya Aggarwal
2012-01-01
Full Text Available One of the most important steps in spectral analysis is filtering, where window functions are generally used to design filters. In this paper, we modify the existing architecture for realizing the window functions using CORDIC processor. Firstly, we modify the conventional CORDIC algorithm to reduce its latency and area. The proposed CORDIC algorithm is completely scale-free for the range of convergence that spans the entire coordinate space. Secondly, we realize the window functions using a single CORDIC processor as against two serially connected CORDIC processors in existing technique, thus optimizing it for area and latency. The linear CORDIC processor is replaced by a shift-add network which drastically reduces the number of pipelining stages required in the existing design. The proposed design on an average requires approximately 64% less pipeline stages and saves up to 44.2% area. Currently, the processor is designed to implement Blackman windowing architecture, which with slight modifications can be extended to other widow functions as well. The details of the proposed architecture are discussed in the paper.
Energy Technology Data Exchange (ETDEWEB)
Perusquia del Cueto, R.; Montes T, J. L.; Ortiz S, J. J.; Castillo M, A., E-mail: raul.perusquia@inin.gob.mx [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)
2011-11-15
At present the techniques of evolution al computation receive an increasing attention in the scientific and technological areas. This situation is due to its enormous potential in the optimization applied to problems of discussed computational complexity. In the nuclear area these techniques are used in diverse problems of combinatory optimization related with designing cores of power reactors. A distinctive characteristic of the evolution al and/or meta-heuristic algorithms is that appeal in each one from their applications to an adjustment function, fitness or of quality. This function allows to discriminate or to evaluate potentials solutions of the problem to solve. The definition of this situation is very important since it allows following the search of the algorithm toward different regions of the search space. In this work the impact that has the election of this function in the quality of the found solution is shown. The optimization technique by ant colonies or Acs (ant colony system) was used applied to the radial design of fuel cells for a boiling water power reactor. The notable results of the Acs allowed to propose the adjustment method of the importance and with this to obtain adjustment functions that guide the search of solutions of collective algorithms efficiently, basic capacity to develop the proposal of emulation of the natural selection and to investigate the possibility that on order of specify goals, to obtain the corresponding decision variables. A variety of re tro-exit (re tro-out) complementary process of feedback (re tro-in) that opens extended application perspectives of be feasible. (Author)
Gegner, Julie; Spruill, Natalie; Plesniak, Leigh A.
1999-11-01
The terms "structure" and "function" can assume a variety of meanings. In biochemistry, the "structure" of a protein can refer to its sequence of amino acids, the three-dimensional arrangement of atoms within a subunit, or the arrangement of subunits into a larger oligomeric or filamentous state. Likewise, the function of biological macromolecules can be examined at many levels. The function of a protein can be described by its role in an organism's survival or by a chemical reaction that it promotes. We have designed a three-part biochemical laboratory experiment that characterizes the structure and function of the Escherichia coli RecA protein. The first part examines the importance of RecA in the survival of bacteria that have been exposed to UV light. This is the broadest view of function of the enzyme. Second, the students use an in vitro assay of RecA whereby the protein promotes homologous recombination. Because RecA functions not catalytically, but rather stoichiometrically, in this recombination reaction, the oligomeric state of RecA in complex with DNA must also be discussed. Finally, through molecular modeling of X-ray crystallographic structures, students identify functionally important features of the ATP cofactor binding site of RecA.
Directory of Open Access Journals (Sweden)
Cristinel Mortici
2015-01-01
Full Text Available In this survey we present our recent results on analysis of gamma function and related functions. The results obtained are in the theory of asymptotic analysis, approximation of gamma and polygamma functions, or in the theory of completely monotonic functions. The motivation of this first part is the work of C. Mortici [Product Approximations via Asymptotic Integration Amer. Math. Monthly 117 (2010 434-441] where a simple strategy for constructing asymptotic series is presented. The classical asymptotic series associated to Stirling, Wallis, Glaisher-Kinkelin are rediscovered. In the second section we discuss some new inequalities related to Landau constants and we establish some asymptotic formulas.
Algorithm 831: modified Bessel functions of imaginary order and positive argument
A. Gil (Amparo); J. Segura (Javier); N.M. Temme (Nico)
2004-01-01
textabstract77 programs for the computation of modified Bessel functions of purely imaginary order are presented. The codes compute the functions Kia (x), Lia (x) and their derivatives for real a and positive x; these functions are independent solutions of the differential equation x2w'' + xw' + (a2
Hirata, So; Doran, Alexander E; Knowles, Peter J; Ortiz, J V
2017-07-28
A thorough analytical and numerical characterization of the whole perturbation series of one-particle many-body Green's function (MBGF) theory is presented in a pedagogical manner. Three distinct but equivalent algebraic (first-quantized) recursive definitions of the perturbation series of the Green's function are derived, which can be combined with the well-known recursion for the self-energy. Six general-order algorithms of MBGF are developed, each implementing one of the three recursions, the ΔMPn method (where n is the perturbation order) [S. Hirata et al., J. Chem. Theory Comput. 11, 1595 (2015)], the automatic generation and interpretation of diagrams, or the numerical differentiation of the exact Green's function with a perturbation-scaled Hamiltonian. They all display the identical, nondivergent perturbation series except ΔMPn, which agrees with MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 but converges at the full-configuration-interaction (FCI) limit at n=∞ (unless it diverges). Numerical data of the perturbation series are presented for Koopmans and non-Koopmans states to quantify the rate of convergence towards the FCI limit and the impact of the diagonal, frequency-independent, or ΔMPn approximation. The diagrammatic linkedness and thus size-consistency of the one-particle Green's function and self-energy are demonstrated at any perturbation order on the basis of the algebraic recursions in an entirely time-independent (frequency-domain) framework. The trimming of external lines in a one-particle Green's function to expose a self-energy diagram and the removal of reducible diagrams are also justified mathematically using the factorization theorem of Frantz and Mills. Equivalence of ΔMPn and MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 is algebraically proven, also ascribing the differences at n = 4 to the so-called semi-reducible and linked-disconnected diagrams.
Narula, Sukrit; Shameer, Khader; Salem Omar, Alaa Mabrouk; Dudley, Joel T; Sengupta, Partho P
2016-11-29
Machine-learning models may aid cardiac phenotypic recognition by using features of cardiac tissue deformation. This study investigated the diagnostic value of a machine-learning framework that incorporates speckle-tracking echocardiographic data for automated discrimination of hypertrophic cardiomyopathy (HCM) from physiological hypertrophy seen in athletes (ATH). Expert-annotated speckle-tracking echocardiographic datasets obtained from 77 ATH and 62 HCM patients were used for developing an automated system. An ensemble machine-learning model with 3 different machine-learning algorithms (support vector machines, random forests, and artificial neural networks) was developed and a majority voting method was used for conclusive predictions with further K-fold cross-validation. Feature selection using an information gain (IG) algorithm revealed that volume was the best predictor for differentiating between HCM ands. ATH (IG = 0.24) followed by mid-left ventricular segmental (IG = 0.134) and average longitudinal strain (IG = 0.131). The ensemble machine-learning model showed increased sensitivity and specificity compared with early-to-late diastolic transmitral velocity ratio (p 13 mm. In this subgroup analysis, the automated model continued to show equal sensitivity, but increased specificity relative to early-to-late diastolic transmitral velocity ratio, e', and strain. Our results suggested that machine-learning algorithms can assist in the discrimination of physiological versus pathological patterns of hypertrophic remodeling. This effort represents a step toward the development of a real-time, machine-learning-based system for automated interpretation of echocardiographic images, which may help novice readers with limited experience. Copyright © 2016 American College of Cardiology Foundation. Published by Elsevier Inc. All rights reserved.
DEFF Research Database (Denmark)
Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.
2014-01-01
electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage......Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat...
Energy Technology Data Exchange (ETDEWEB)
Berkolaiko, G. [Department of Mathematics, Texas A and M University, College Station, Texas 77843-3368 (United States); Kuipers, J. [Institut für Theoretische Physik, Universität Regensburg, D-93040 Regensburg (Germany)
2013-12-15
Electronic transport through chaotic quantum dots exhibits universal behaviour which can be understood through the semiclassical approximation. Within the approximation, calculation of transport moments reduces to codifying classical correlations between scattering trajectories. These can be represented as ribbon graphs and we develop an algorithmic combinatorial method to generate all such graphs with a given genus. This provides an expansion of the linear transport moments for systems both with and without time reversal symmetry. The computational implementation is then able to progress several orders further than previous semiclassical formulae as well as those derived from an asymptotic expansion of random matrix results. The patterns observed also suggest a general form for the higher orders.
Rosolen, A.; Peco, C.; Arroyo, M.
2013-01-01
We present an adaptive meshfree method to approximate phase-field models of biomembranes. In such models, the Helfrich curvature elastic energy, the surface area, and the enclosed volume of a vesicle are written as functionals of a continuous phase-field, which describes the interface in a smeared manner. Such functionals involve up to second-order spatial derivatives of the phase-field, leading to fourth-order Euler–Lagrange partial differential equations (PDE). The solutions develop sharp i...
Ferenczy, György G
2013-04-05
The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.
Directory of Open Access Journals (Sweden)
Okiljević Z.
2014-01-01
Full Text Available The assessment of functional work capacity based on the biological function of the body and a specific job demands and job characteristics, determine whether a person is capable to do the job or group of jobs. Evaluation of work capacity (EWC railway workers is conducted according to the program of Regulations for the former and periodic examinations of employees in workplaces with high risk published in the Official Gazette of RS no. 120/ 07 and 655. Regulations on health conditions to be met by railway workers, who are directly involved in railway transport. One of the most common chronic diseases during EWC is chronic obstructive pulmonary disease (COPD. The definition of contraindications for use of railway employees with COPD given by Ordinance 655 is in very general terms, trying to make it easier and improve the quality of assessment of work capacity, we have developed an algorithm for the assessment of work ability among these workers. When doubt the existence of COPD should first prove that the disease exists, according to GOLD (Global Initiative for Chronic Obstructive Lung Disease guidelines, and for occupational medicine we considered important to clarify and standardize the assessment criteria for EWC, which resulting in a diagnostic algorithm for EWC. It is also important to know which type of job will worker to do. Application of a diagnostic algorithm in EWC will allow optimal assessment of disease severity in railway and other workers suffering of COPD working at the workplace with an increased risk efficacy treatment evaluation; assess compensation of functional defects and determine schedule of periodical examination.
Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions
Jerke, Jonathan; Poirier, Bill
2018-03-01
Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.
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R. Ghiasi
2017-09-01
Full Text Available Utilizing surrogate models based on artificial intelligence methods for detecting structural damages has attracted the attention of many researchers in recent decades. In this study, a new kernel based on Littlewood-Paley Wavelet (LPW is proposed for Extreme Learning Machine (ELM algorithm to improve the accuracy of detecting multiple damages in structural systems. ELM is used as metamodel (surrogate model of exact finite element analysis of structures in order to efficiently reduce the computational cost through updating process. In the proposed two-step method, first a damage index, based on Frequency Response Function (FRF of the structure, is used to identify the location of damages. In the second step, the severity of damages in identified elements is detected using ELM. In order to evaluate the efficacy of ELM, the results obtained from the proposed kernel were compared with other kernels proposed for ELM as well as Least Square Support Vector Machine algorithm. The solved numerical problems indicated that ELM algorithm accuracy in detecting structural damages is increased drastically in case of using LPW kernel.
Forsström, J
1992-01-01
The ID3 algorithm for inductive learning was tested using preclassified material for patients suspected to have a thyroid illness. Classification followed a rule-based expert system for the diagnosis of thyroid function. Thus, the knowledge to be learned was limited to the rules existing in the knowledge base of that expert system. The learning capability of the ID3 algorithm was tested with an unselected learning material (with some inherent missing data) and with a selected learning material (no missing data). The selected learning material was a subgroup which formed a part of the unselected learning material. When the number of learning cases was increased, the accuracy of the program improved. When the learning material was large enough, an increase in the learning material did not improve the results further. A better learning result was achieved with the selected learning material not including missing data as compared to unselected learning material. With this material we demonstrate a weakness in the ID3 algorithm: it can not find available information from good example cases if we add poor examples to the data.
Baddari, Kamel; Makdeche, Said; Bellalem, Fouzi
2013-02-01
Based on the moment magnitude scale, a probabilistic model was developed to predict the occurrences of strong earthquakes in the seismoactive area of Zemmouri, Algeria. Firstly, the distributions of earthquake magnitudes M i were described using the distribution function F 0(m), which adjusts the magnitudes considered as independent random variables. Secondly, the obtained result, i.e., the distribution function F 0(m) of the variables M i was used to deduce the distribution functions G(x) and H(y) of the variables Y i = Log M 0,i and Z i = M 0,i , where (Y i)i and (Z i)i are independent. Thirdly, some forecast for moments of the future earthquakes in the studied area is given.
Gitman, M.B.; Klyuev, A.V.; Stolbov, V.Y.; Gitman, I.M.
2017-01-01
The technique allows analysis using grain-phase structure of the functional material to evaluate its performance, particularly strength properties. The technique is based on the use of linguistic variable in the process of comprehensive evaluation. An example of estimating the strength properties of steel reinforcement, subject to special heat treatment to obtain the desired grain-phase structure.
J(l)-unitary factorization and the Schur algorithm for Nevanlinna functions in an indefinite setting
Alpay, D.; Dijksma, A.; Langer, H.
2006-01-01
We introduce a Schur transformation for generalized Nevanlinna functions and show that it can be used in obtaining the unique minimal factorization of a class of rational J(l)-unitary 2 x 2 matrix functions into elementary factors from the same class. (c) 2006 Elsevier Inc. All rights reserved.
A Multilevel Search Algorithm for the Maximization of Submodular Functions
Goldengorin, Boris; Ghosh, Diptesh
2004-01-01
We consider the objective function of a simple recourse problem with fixed technology matrix and integer second-stage variables. Separability due to the simple recourse structure allows to study a one-dimensional version instead. Based on an explicit formula for the objective function, we derive a
Paul, M.; Negahban-Azar, M.
2017-12-01
The hydrologic models usually need to be calibrated against observed streamflow at the outlet of a particular drainage area through a careful model calibration. However, a large number of parameters are required to fit in the model due to their unavailability of the field measurement. Therefore, it is difficult to calibrate the model for a large number of potential uncertain model parameters. This even becomes more challenging if the model is for a large watershed with multiple land uses and various geophysical characteristics. Sensitivity analysis (SA) can be used as a tool to identify most sensitive model parameters which affect the calibrated model performance. There are many different calibration and uncertainty analysis algorithms which can be performed with different objective functions. By incorporating sensitive parameters in streamflow simulation, effects of the suitable algorithm in improving model performance can be demonstrated by the Soil and Water Assessment Tool (SWAT) modeling. In this study, the SWAT was applied in the San Joaquin Watershed in California covering 19704 km2 to calibrate the daily streamflow. Recently, sever water stress escalating due to intensified climate variability, prolonged drought and depleting groundwater for agricultural irrigation in this watershed. Therefore it is important to perform a proper uncertainty analysis given the uncertainties inherent in hydrologic modeling to predict the spatial and temporal variation of the hydrologic process to evaluate the impacts of different hydrologic variables. The purpose of this study was to evaluate the sensitivity and uncertainty of the calibrated parameters for predicting streamflow. To evaluate the sensitivity of the calibrated parameters three different optimization algorithms (Sequential Uncertainty Fitting- SUFI-2, Generalized Likelihood Uncertainty Estimation- GLUE and Parameter Solution- ParaSol) were used with four different objective functions (coefficient of determination
Directory of Open Access Journals (Sweden)
Xiao-Bing eGao
2015-10-01
Full Text Available The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc and long-term behavioral changes (such as reward seeking and addiction, stress response, etc in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation and long-term changes (such as cocaine seeking in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological behavioral, and mental health implications of these findings will be discussed.
Gao, Xiao-Bing; Hermes, Gretchen
2015-01-01
The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH) and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc.) and long-term behavioral changes (such as reward seeking and addiction, stress response, etc.) in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation) and long-term changes (such as cocaine seeking) in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological, behavioral, and mental health implications of these findings will be discussed. PMID:26539086
COULCC: A continued-fraction algorithm for Coulomb functions of complex order with complex arguments
International Nuclear Information System (INIS)
Thompson, I.J.; Barnett, A.R.
1985-01-01
The routine COULCC calculates both the oscillating and the exponentially varying Coulomb wave functions, and their radial derivations, for complex eta(Sommerfeld parameter), complex energies and complex angular momenta. The functions for uncharged scattering (spherical Bessels) and cylindrical Bessel functions are special cases which are more easily solved. Two linearly independent solutions are found, in general, to the differential equation f''(x)+g(x)f(x)=0, where g(x) has x 0 , x -1 and x -2 terms, with coefficients 1, -2eta and -lambda(lambda+1), respectively. (orig.)
International Nuclear Information System (INIS)
Niknam, Taher; Sharifinia, Sajjad; Azizipanah-Abarghooee, Rasoul
2013-01-01
Highlights: • Present optimal bidding strategies of Generating Companies (GENCOs) in a network-constrained electricity market. • Present new enhanced bat-inspired algorithm. • Consider the bi level optimization problem. • Present a linear supply function model. - Abstract: This paper proposes a new enhanced bat-inspired algorithm to find out linear supply function equilibrium of Generating Companies (GENCOs) in a network-constrained electricity market where they have incomplete information about other rivals. The model enables a GENCO to link its bidding price with the bidding quantity of its product. In this regard, the social welfare maximization is applied to clearing the market and nodal pricing mechanism is utilized to calculate the GENCO’s profit. It is formulated as a bi level optimization problem, where the higher level problem maximizes GENCO’s payoff and the lower level problem solves the independent system operator’s market clearing problem based on the maximization of social welfare. Due to non-convexity nature of the proposed bi level optimization problem, the mathematical-based optimization approach is incapable to solve the problem and obtain the nearly global optima. In order to overcome the obstacle of the conventional approaches, this study suggests a new meta-heuristic Bat-inspired Algorithm (BA) to achieve the nearly global solution of the bi level optimization problem. In addition a novel self-adaptive learning mechanism is utilized on the original BA to improve the population diversity and global searching capability. Numerical examples are applied to three test systems in order to evaluate the performances of the presented framework
Yu, Jiyang; Silva, Jose; Califano, Andrea
2016-01-15
Functional genomics (FG) screens, using RNAi or CRISPR technology, have become a standard tool for systematic, genome-wide loss-of-function studies for therapeutic target discovery. As in many large-scale assays, however, off-target effects, variable reagents' potency and experimental noise must be accounted for appropriately control for false positives. Indeed, rigorous statistical analysis of high-throughput FG screening data remains challenging, particularly when integrative analyses are used to combine multiple sh/sgRNAs targeting the same gene in the library. We use large RNAi and CRISPR repositories that are publicly available to evaluate a novel meta-analysis approach for FG screens via Bayesian hierarchical modeling, Screening Bayesian Evaluation and Analysis Method (ScreenBEAM). Results from our analysis show that the proposed strategy, which seamlessly combines all available data, robustly outperforms classical algorithms developed for microarray data sets as well as recent approaches designed for next generation sequencing technologies. Remarkably, the ScreenBEAM algorithm works well even when the quality of FG screens is relatively low, which accounts for about 80-95% of the public datasets. R package and source code are available at: https://github.com/jyyu/ScreenBEAM. ac2248@columbia.edu, jose.silva@mssm.edu, yujiyang@gmail.com Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
Directory of Open Access Journals (Sweden)
Xiangrong Li
Full Text Available It is generally acknowledged that the conjugate gradient (CG method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.
Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang
2015-01-01
It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.
Directory of Open Access Journals (Sweden)
Shuang Wang
2012-01-01
Full Text Available As an efficient tool, radial basis function (RBF has been widely used for the multivariate approximation, interpolating continuous, and the solution of the particle differential equations. However, ill-conditioned interpolation matrix may be encountered when the interpolation points are very dense or irregularly arranged. To avert this problem, RBFs with variable shape parameters are introduced, and several new variation strategies are proposed. Comparison with the RBF with constant shape parameters are made, and the results show that the condition number of the interpolation matrix grows much slower with our strategies. As an application, an improved collocation meshless method is formulated by employing the new RBF. In addition, the Hermite-type interpolation is implemented to handle the Neumann boundary conditions and an additional sine/cosine basis is introduced for the Helmlholtz equation. Then, two interior acoustic problems are solved with the presented method; the results demonstrate the robustness and effectiveness of the method.
Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji
2016-08-18
Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.
RENAL FUNCTION TEST ON THE BASIS OF SERUM CREATININE AND UREA IN TYPE-2 DIABETICS AND NONDIABETICS
Directory of Open Access Journals (Sweden)
P. Singh
2014-01-01
Full Text Available Background: Type-2 diabetes mellitus has quickly become a global health problem due to rapidly increasing population growth, aging, urbanization and increasing prevalence of obesity and physical inactivity. Diabetic nephropathy is one of the major causes of chronic renal failure. Both serum urea and creatinine are widely used to assess the function of kidney. This study was conducted to observe the impaired renal function in type 2 diabetics and compare with non-diabetics controls. Method: To determine the incidence of renal dysfunction in diabetics in Nepalgunj medical college and Hospital , Nepalgunj , Banke, Nepal , blood samples from 100 diabetic subjects and 100 non-diabetic controls were taken between the period 1st February , 2012 to 31st January , 2013 for investigation of plasma glucose fasting(FPG, blood urea and serum creatinine. These biochemical parameters were determined by using a fully automated clinical chemistry analyzer. Results: Our findings showed that the level of blood urea (P<0.0001, 95%Cl and serum creatinine (P≈0.0004,95%Cl were significantly higher in type 2 diabetics as compared to non-diabetics in both male and female. There was no significant difference between diabetic male and female. 15 out of 100 diabetes samples have high urea level whereas 7 out of 100 had increased creatinine level. In control only 3 samples had high urea value and 1 had high creatinine level. There was statistical signiﬁcant increased in urea level with increased in blood sugar level. Conclusion: Blood urea and creatinine is widely accepted to assess the renal functions. Good control of blood glucose level is absolute requirement to prevent progressive renal impairment.
Wang, Shujun; Wang, Jinrong; Yu, Jinglin; Wang, Shuo
2016-01-01
The effects of three saturated fatty acids on functional properties of normal wheat and waxy wheat starches were investigated. The complexing index (CI) of normal wheat starch-fatty acid complexes decreased with increasing carbon chain length. In contrast, waxy wheat starch-fatty acid complexes presented much lower CI. V-type crystalline polymorphs were formed between normal wheat starch and three fatty acids, with shorter chain fatty acids producing more crystalline structure. FTIR and Raman spectroscopy presented the similar results with XRD. The formation of amylose-fatty acid complex inhibited granule swelling, gelatinization progression, retrogradation and pasting development of normal wheat starch, with longer chain fatty acids showing greater inhibition. Amylopectin can also form complexes with fatty acids, but the amount of complex was too little to be detected by XRD, FTIR, Raman and DSC. As a consequence, small changes were observed in the functional properties of waxy wheat starch with the addition of fatty acids. Copyright © 2015 Elsevier Ltd. All rights reserved.
Deakyne, Julianna S; Malecka, Kimberly A; Messick, Troy E; Lieberman, Paul M
2017-10-01
Epstein-Barr virus (EBV) establishes a stable latent infection that can persist for the life of the host. EBNA1 is required for the replication, maintenance, and segregation of the latent episome, but the structural features of EBNA1 that confer each of these functions are not completely understood. Here, we have solved the X-ray crystal structure of an EBNA1 DNA-binding domain (DBD) and discovered a novel hexameric ring oligomeric form. The oligomeric interface pivoted around residue T585 as a joint that links and stabilizes higher-order EBNA1 complexes. Substitution mutations around the interface destabilized higher-order complex formation and altered the cooperative DNA-binding properties of EBNA1. Mutations had both positive and negative effects on EBNA1-dependent DNA replication and episome maintenance with OriP. We found that one naturally occurring polymorphism in the oligomer interface (T585P) had greater cooperative DNA binding in vitro , minor defects in DNA replication, and pronounced defects in episome maintenance. The T585P mutant was compromised for binding to OriP in vivo as well as for assembling the origin recognition complex subunit 2 (ORC2) and trimethylated histone 3 lysine 4 (H3K4me3) at OriP. The T585P mutant was also compromised for forming stable subnuclear foci in living cells. These findings reveal a novel oligomeric structure of EBNA1 with an interface subject to naturally occurring polymorphisms that modulate EBNA1 functional properties. We propose that EBNA1 dimers can assemble into higher-order oligomeric structures important for diverse functions of EBNA1. IMPORTANCE Epstein-Barr virus is a human gammaherpesvirus that is causally associated with various cancers. Carcinogenic properties are linked to the ability of the virus to persist in the latent form for the lifetime of the host. EBNA1 is a sequence-specific DNA-binding protein that is consistently expressed in EBV tumors and is the only viral protein required to maintain the viral
Directory of Open Access Journals (Sweden)
Jaime Alberto Echeverri Arias
2009-07-01
Full Text Available La eliminación del ruido impulsivo es un problema clásico del procesado no lineal para el mejoramiento de imágenes y las funciones de base radial de soporte global son útiles para enfrentarlo. Este trabajo presenta una técnica de interpolación que disminuye eficientemente el ruido impulsivo en imágenes, mediante el uso de interpolante obtenido por funciones de base radial en el marco de la investigación enfocada en el desarrollo de un Sistema de recuperación de imágenes de recursos acuáticos amazónicos. Esta técnica primero etiqueta los píxeles de la imagen que son ruidosos y, mediante la interpolación, genera un valor de reconstrucción de dicho píxel usando sus vecinos. Los resultados obtenidos son comparables y muchas veces mejores que otras técnicas ya publicadas y reconocidas. Según el análisis de resultados, se puede aplicar a imágenes con altas tasas de ruido, manteniendo un bajo error de reconstrucción de los píxeles "ruidosos", así como la calidad visual.Global support radial base functions are effective in eliminating impulsive noise in non-linear processing. This paper introduces an interpolation technique which efficiently reduces image impulsive noise by means of an interpolant obtained through radial base functions. These functions have been used in a research project designed to develop a system for the recovery of images of Amazonian aquatic resources. This technique starts with the tagging by interpolation of noisy image pixels. Thus, a value of reconstruction for the noisy pixels is generated using neighboring pixels. The results obtained with this technique have proved comparable and often better than those obtained with previously known techniques. According to results analysis, this technique can be successfully applied on images with high noise levels. The results are low error in noisy pixel reconstruction and better visual quality.
Czech Academy of Sciences Publication Activity Database
Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.
2011-01-01
Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011
Lötstedt, Erik; Jentschura, Ulrich D
2009-02-01
In the relativistic and the nonrelativistic theoretical treatment of moderate and high-power laser-matter interaction, the generalized Bessel function occurs naturally when a Schrödinger-Volkov and Dirac-Volkov solution is expanded into plane waves. For the evaluation of cross sections of quantum electrodynamic processes in a linearly polarized laser field, it is often necessary to evaluate large arrays of generalized Bessel functions, of arbitrary index but with fixed arguments. We show that the generalized Bessel function can be evaluated, in a numerically stable way, by utilizing a recurrence relation and a normalization condition only, without having to compute any initial value. We demonstrate the utility of the method by illustrating the quantum-classical correspondence of the Dirac-Volkov solutions via numerical calculations.
Yen, Tsung-Wen; Lim, Thong-Leng; Yoon, Tiem-Leong; Lai, S. K.
2017-11-01
We combined a new parametrized density functional tight-binding (DFTB) theory (Fihey et al. 2015) with an unbiased modified basin hopping (MBH) optimization algorithm (Yen and Lai 2015) and applied it to calculate the lowest energy structures of Au clusters. From the calculated topologies and their conformational changes, we find that this DFTB/MBH method is a necessary procedure for a systematic study of the structural development of Au clusters but is somewhat insufficient for a quantitative study. As a result, we propose an extended hybridized algorithm. This improved algorithm proceeds in two steps. In the first step, the DFTB theory is employed to calculate the total energy of the cluster and this step (through running DFTB/MBH optimization for given Monte-Carlo steps) is meant to efficiently bring the Au cluster near to the region of the lowest energy minimum since the cluster as a whole has explicitly considered the interactions of valence electrons with ions, albeit semi-quantitatively. Then, in the second succeeding step, the energy-minimum searching process will continue with a skilledly replacement of the energy function calculated by the DFTB theory in the first step by one calculated in the full density functional theory (DFT). In these subsequent calculations, we couple the DFT energy also with the MBH strategy and proceed with the DFT/MBH optimization until the lowest energy value is found. We checked that this extended hybridized algorithm successfully predicts the twisted pyramidal structure for the Au40 cluster and correctly confirms also the linear shape of C8 which our previous DFTB/MBH method failed to do so. Perhaps more remarkable is the topological growth of Aun: it changes from a planar (n =3-11) → an oblate-like cage (n =12-15) → a hollow-shape cage (n =16-18) and finally a pyramidal-like cage (n =19, 20). These varied forms of the cluster's shapes are consistent with those reported in the literature.
Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo
2014-01-01
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929
On algorithmic equivalence of instruction sequences for computing bit string functions
Bergstra, J.A.; Middelburg, C.A.
2015-01-01
Every partial function from bit strings of a given length to bit strings of a possibly different given length can be computed by a finite instruction sequence that contains only instructions to set and get the content of Boolean registers, forward jump instructions, and a termination instruction. We
On algorithmic equivalence of instruction sequences for computing bit string functions
Bergstra, J.A.; Middelburg, C.A.
2014-01-01
Every partial function from bit strings of a given length to bit strings of a possibly different given length can be computed by a finite instruction sequence that contains only instructions to set and get the content of Boolean registers, forward jump instructions, and a termination instruction. We
Valdes, Felipe; Andriulli, Francesco P.; Cools, Kristof; Michielssen, Eric
2011-01-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
Valdes, Felipe
2011-04-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
The overlapped radial basis function-finite difference (RBF-FD) method: A generalization of RBF-FD
Shankar, Varun
2017-08-01
We present a generalization of the RBF-FD method that computes RBF-FD weights in finite-sized neighborhoods around the centers of RBF-FD stencils by introducing an overlap parameter δ ∈ (0 , 1 ] such that δ = 1 recovers the standard RBF-FD method and δ = 0 results in a full decoupling of stencils. We provide experimental evidence to support this generalization, and develop an automatic stabilization procedure based on local Lebesgue functions for the stable selection of stencil weights over a wide range of δ values. We provide an a priori estimate for the speedup of our method over RBF-FD that serves as a good predictor for the true speedup. We apply our method to parabolic partial differential equations with time-dependent inhomogeneous boundary conditions - Neumann in 2D, and Dirichlet in 3D. Our results show that our method can achieve as high as a 60× speedup in 3D over existing RBF-FD methods in the task of forming differentiation matrices.
de Lima, Andrea Cristina; de Azevedo Neto, Raymundo Machado; Teixeira, Luis Augusto
2010-10-01
In order to evaluate the effects of uncertainty about direction of mechanical perturbation and supra-postural task constraint on postural control, young adults had their upright stance perturbed while holding a tray in a horizontal position. Stance was perturbed by moving forward or backward a supporting platform, contrasting situations of certainty versus uncertainty of direction of displacement. Increased constraint on postural stability was imposed by a supra-postural task of equilibrating a cylinder on the tray. Performance was assessed through EMG of anterior leg muscles, angular displacement of the main joints involved in the postural reactions and displacement of the tray. Results showed that both certainty on the direction of perturbation and increased supra-postural task constraint led to decreased angular displacement of the knee and the hip. Furthermore, combination of certainty and high supra-postural task constraint produced shorter latency of muscular activation. Such postural responses were paralleled by decreased displacement of the tray. These results suggest a functional integration between the tasks, with central set priming reactive postural responses from contextual cues and increased stability demand. Copyright © 2010 Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Takayoshi Matsuda
Full Text Available Growing numbers of therapeutic antibodies offer excellent treatment strategies for many diseases. Elucidation of the interaction between a potential therapeutic antibody and its target protein by structural analysis reveals the mechanism of action and offers useful information for developing rational antibody designs for improved affinity. Here, we developed a rapid, high-yield cell-free system using dialysis mode to synthesize antibody fragments for the structural analysis of antibody-antigen complexes. Optimal synthesis conditions of fragments (Fv and Fab of the anti-EGFR antibody 059-152 were rapidly determined in a day by using a 30-μl-scale unit. The concentration of supplemented disulfide isomerase, DsbC, was critical to obtaining soluble antibody fragments. The optimal conditions were directly applicable to a 9-ml-scale reaction, with linear scalable yields of more than 1 mg/ml. Analyses of purified 059-152-Fv and Fab showed that the cell-free synthesized antibody fragments were disulfide-bridged, with antigen binding activity comparable to that of clinical antibodies. Examination of the crystal structure of cell-free synthesized 059-152-Fv in complex with the extracellular domain of human EGFR revealed that the epitope of 059-152-Fv broadly covers the EGF binding surface on domain III, including residues that formed critical hydrogen bonds with EGF (Asp355EGFR, Gln384EGFR, H409EGFR, and Lys465EGFR, so that the antibody inhibited EGFR activation. We further demonstrated the application of the cell-free system to site-specific integration of non-natural amino acids for antibody engineering, which would expand the availability of therapeutic antibodies based on structural information and rational design. This cell-free system could be an ideal antibody-fragment production platform for functional and structural analysis of potential therapeutic antibodies and for engineered antibody development.
Directory of Open Access Journals (Sweden)
Armand Krasniqi
2015-07-01
Full Text Available Legal regulation of market mechanisms and the implementation of economic policies for a fair competition in TEs is a challenging issue. The competition is a complex economic phenomenon that is manifested and characterized by the strength and content that gives to the market economy. In Kosovo specific economic entities, in one way or another, are tempted to gain as much buyers or markets and create much more profits. The problem is connected with the irregularity. Such behavior and unfair actions are not only damaging the image of the country but are a serious threat the harmonious development of the national economy and the country’s accession process to the EU. The parliament of Kosovo established the Kosovo Competition Authority as an independent institution with special competences to control and fight this negative phenomenon. Based to official data it turns out that the effectiveness of this institution is not only incomplete but also non-functional. This is because of the “ignorance” and non-adequate treatment that is reserved for this authority by the parliamentary and governmental institutions. All this because the members are not elected based to regular procedures and not allocating the necessary financial means to operate. At least so far, the Kosovo Competition Authority was not allowed to hire professionals with clear competences to act and investigate the negative phenomenon of unfair competition. Certainly, this situation does not guarantee effective implementation of laws and quality protection of competition. Therefore, the mobilization of parliamentary and governmental levels is needed to enhance professional capacities and increase their competence in scope of the investigation including cooperation with prosecutors and courts. These actions should be reconsidered with the aim of creating a competitive safe environment for all operators. To conclude, the loyal competition policies and legislative framework should be
de Bello, Francesco; Carmona, Carlos P; Lepš, Jan; Szava-Kovats, Robert; Pärtel, Meelis
2016-04-01
While an increasing number of indices for estimating the functional trait diversity of biological communities are being proposed, there is a growing demand by ecologists to clarify their actual implications and simplify index selection. Several key indices relate to mean trait dissimilarity between species within biological communities. Among them, the most widely used include (a) the mean species pairwise dissimilarity (MPD) and (b) the Rao quadratic entropy (and related indices). These indices are often regarded as redundant and promote the unsubstantiated yet widely held view that Rao is a form of MPD. Worryingly, existing R functions also do not always simplify the use and differentiation of these indices. In this paper, we show various distinctions between these two indices that warrant mathematical and biological consideration. We start by showing an existing form of MPD that considers species abundances and is different from Rao both mathematically and conceptually. We then show that the mathematical relationship between MPD and Rao can be presented simply as Rao = MPD × Simpson, where the Simpson diversity index is defined as 1 - dominance. We further show that this relationship is maintained for both species abundances and presence/absence. This evidence dismantles the paradigm that the Rao diversity is an abundance-weighted form of MPD and indicates that both indices can differ substantially at low species diversities. We discuss the different interpretations of trait diversity patterns in biological communities provided by Rao and MPD and then provide a simple R function, called "melodic," which avoids the unintended results that arise from existing mainstream functions.