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We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…

Condensed Matter · Physics 2009-10-31 J. E. Pask , B. M. Klein , C. Y. Fong , P. A. Sterne

This paper deals with a numerical analysis of plastic deformation under various conditions, utilizing Radial Basis Function (RBF) approximation. The focus is on the elasto-plastic von Mises problem under plane-strain assumption. Elastic…

Numerical Analysis · Mathematics 2024-05-09 Filip Strniša , Mitja Jančič , Gregor Kosec

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

Computational Physics · Physics 2015-12-23 Swarnava Ghosh , Phanish Suryanarayana

Solutions of partial differential equations (PDEs) on manifolds have provided important applications in different fields in science and engineering. Existing methods are majorly based on discretization of manifolds as implicit functions,…

Numerical Analysis · Mathematics 2017-08-03 Rongjie Lai , Jia Li

Kernel methods are widespread in machine learning; however, they are limited by the quadratic complexity of the construction, application, and storage of kernel matrices. Low-rank matrix approximation algorithms are widely used to address…

Machine Learning · Statistics 2021-05-05 Ruoxi Wang , Yingzhou Li , Michael W. Mahoney , Eric Darve

We present a new discretization method for homogeneous convection-diffusion-reaction boundary value problems in 3D that is a non-standard finite element method with PDE-harmonic shape functions on polyhedral elements. The element stiffness…

Numerical Analysis · Mathematics 2017-08-29 Clemens Hofreither , Ulrich Langer , Steffen Weißer

In this paper we present a new approach for tightening upper bounds on the partition function. Our upper bounds are based on fractional covering bounds on the entropy function, and result in a concave program to compute these bounds and a…

Machine Learning · Computer Science 2012-10-19 Tamir Hazan , Jian Peng , Amnon Shashua

The thoracic diaphragm is the muscle that drives the respiratory cycle of a human being. Using a system of partial differential equations (PDEs) that models linear elasticity we compute displacements and stresses in a two-dimensional cross…

Numerical Analysis · Mathematics 2022-08-31 Igor Tominec , Pierre-Frederic Villard , Elisabeth Larsson , Victor Bayona , Nicola Cacciani

We study global optimization (GOP) in the framework of non-linear inverse problems with a unique solution. These problems are in general ill-posed. Evaluation of the objective function is often expensive, as it implies the solution of a…

Numerical Analysis · Mathematics 2007-05-23 W. Jacquet , B. Truyen , P. de Groen , I. Lemahieu , J. Cornelis

While many recent Physics-Informed Neural Networks (PINNs) variants have had considerable success in solving Partial Differential Equations, the empirical benefits of feature mapping drawn from the broader Neural Representations research…

Machine Learning · Computer Science 2024-04-30 Chengxi Zeng , Tilo Burghardt , Alberto M Gambaruto

This note shows that in looking for exact solutions to nonlinear PDEs, the direct method of functional separation of variables can, in certain cases, be more effective than the method of differential constraints based on the compatibility…

Exactly Solvable and Integrable Systems · Physics 2019-03-07 Andrei D. Polyanin

A novel approach for the fusion of detection scores from disparate object detection methods is proposed. In order to effectively integrate the outputs of multiple detectors, the level of ambiguity in each individual detection score (called…

Computer Vision and Pattern Recognition · Computer Science 2015-11-13 Ryan Robinson

Low-rank approximations are popular methods to reduce the high computational cost of algorithms involving large-scale kernel matrices. The success of low-rank methods hinges on the matrix rank of the kernel matrix, and in practice, these…

Numerical Analysis · Computer Science 2020-10-22 Ruoxi Wang , Yingzhou Li , Eric Darve

We propose a patchwise local Fourier extension method for approximating smooth functions on general two dimensional domains with curved boundaries. The domain is embedded into a Cartesian background grid and decomposed into rectangular…

Numerical Analysis · Mathematics 2026-05-12 Zhenyu Zhao , Yanfei Wang

This paper presented a face detection system using Radial Basis Function Neural Networks With Fixed Spread Value. Face detection is the first step in face recognition system. The purpose is to localize and extract the face region from the…

Computer Vision and Pattern Recognition · Computer Science 2014-10-09 K. A. A. Aziz , S. S. Abdullah

We present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ $100,000$ electrons) on both many-core CPU and…

Computational Physics · Physics 2022-08-31 Sambit Das , Phani Motamarri , Vishal Subramanian , David M. Rogers , Vikram Gavini

Chebyshev pseudospectral (PS) methods are reported to provide highly accurate solution using polynomial approximation. Use of polynomial basis functions in PS algorithms limits the formulation to univariate systems constraining it to tensor…

Computational Physics · Physics 2015-12-01 Pankaj K Mishra , Sankar K Nath

In this paper we describe a parallel implicit method based on radial basis functions (RBF) for surface reconstruction. The applicability of RBF methods is hindered by its computational demand, that requires the solution of linear systems of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-05-23 Salvatore Cuomo , Ardelio Gallettiy , Giulio Giuntay , Alfredo Staracey

Reduced-basis methods (RB methods or RBMs) form one of the most promising techniques to deliver numerical solutions of parametrized PDEs in real-time performance with reasonable accuracy. For incompressible flow problems, RBMs based on LBB…

Numerical Analysis · Mathematics 2019-01-30 Eivind Fonn , Harald van Brummelen , Trond Kvamsdal , Adil Rasheed

We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…

Computational Physics · Physics 2013-09-02 Xavier Andrade , Alán Aspuru-Guzik
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