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We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

Materials Science · Physics 2025-06-11 Nikhil Kodali , Phani Motamarri

The aim of this paper is to solve numerically, using the meshless method via radial basis functions, time-space-fractional partial differential equations of type Black-Scholes. The time-fractional partial differential equation appears in…

Numerical Analysis · Mathematics 2024-03-27 A. Torres-Hernandez , F. Brambila-Paz , C. A. Torres-Martínez

Graph signal processing benefits significantly from the direct and highly adaptable supplementary techniques offered by partition of unity methods (PUMs) on graphs. In our approach, we demonstrate the generation of a partition of unity…

Numerical Analysis · Mathematics 2023-11-10 Roberto Cavoretto , Alessandra De Rossi , Sandro Lancellotti , Federico Romaniello

We propose a boundary neuron method with random features (BNM-RF) for solving partial differential equations. The method approximates the unknown boundary function by a shallow network within the boundary integral formulation. With randomly…

Numerical Analysis · Mathematics 2026-03-30 Ye Lin , Wentao Liu , Young Ju Lee , Jiwei Jia

Many local integral methods are based on an integral formulation over small and heavilly overlapping stencils with local RBF interpolations. These functions have become an extremely effective tool for interpolation on scattered node sets,…

Numerical Analysis · Mathematics 2018-11-05 Luciano Ponzellini Marinelli , Nahuel Caruso , Margarita Portapila

In this work we combine the framework of the Reduced Basis method (RB) with the framework of the Localized Orthogonal Decomposition (LOD) in order to solve parametrized elliptic multiscale problems. The idea of the LOD is to split a high…

Numerical Analysis · Mathematics 2015-05-20 Assyr Abdulle , Patrick Henning

Fractional Laplace equations are becoming important tools for mathematical modeling and prediction. Recent years have shown much progress in developing accurate and robust algorithms to numerically solve such problems, yet most solvers for…

Numerical Analysis · Mathematics 2018-08-03 Harbir Antil , Yanlai Chen , Akil Narayan

We propose a differential radial basis function (RBF) network termed RBF-DiffNet -- whose hidden layer blocks are partial differential equations (PDEs) linear in terms of the RBF -- to make the baseline RBF network robust to noise in…

Machine Learning · Computer Science 2020-10-14 Kojo Sarfo Gyamfi , James Brusey , Elena Gaura

The fundamental purpose of the present work is to constitute an enhanced Euler method with adaptive inverse-quadratic and inverse-multi-quadratic radial basis function (RBF) interpolation technique to solve initial value problems. These…

Numerical Analysis · Mathematics 2023-02-21 Samala Rathan , Deepit Shah

This paper addresses the problem of approximating a function of bounded variation from its scattered data. Radial basis function(RBF) interpolation methods are known to approximate only functions in their native spaces, and to date, there…

Numerical Analysis · Mathematics 2025-12-23 Rajesh Dachiraju

This paper focuses on RBF-based meshless methods for approximating differential operators, one of the most popular being RBF-FD. Recently, a hybrid approach was introduced that combines RBF interpolation and traditional finite difference…

Numerical Analysis · Mathematics 2026-02-26 Adrijan Rogan , Andrej Kolar-Požun , Gregor Kosec

Radial basis functions (RBFs) play an important role in function interpolation, in particular in an arbitrary set of interpolation nodes. The accuracy of the interpolation depends on a parameter called the shape parameter. There are many…

Numerical Analysis · Mathematics 2025-08-27 Maria Han Veiga , Faezeh Nassajian Mojarrad , Fatemeh Nassajian Mojarrad

In this paper we develop a discrete Hierarchical Basis (HB) to efficiently solve the Radial Basis Function (RBF) interpolation problem with variable polynomial order. The HB forms an orthogonal set and is adapted to the kernel seed function…

Numerical Analysis · Computer Science 2023-11-21 Julio Enrique Castrillon-Candas , Jun Li , Victor Eijkhout

Atkinson developed a strategy which splits solution of a PDE system into homogeneous and particular solutions, where the former have to satisfy the boundary and governing equation, while the latter only need to satisfy the governing…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 W. Chen

Physics-informed neural networks (PINNs) have lately received significant attention as a representative deep learning-based technique for solving partial differential equations (PDEs). Most fully connected network-based PINNs use automatic…

Machine Learning · Computer Science 2024-09-30 Zixue Xiang , Wei Peng , Wen Yao

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…

Materials Science · Physics 2024-11-25 Daniel Bennett , Michele Pizzochero , Javier Junquera , Efthimios Kaxiras

We propose an approach for approximating the partition function which is based on two steps: (1) computing the partition function of a simplified model which is obtained by deleting model edges, and (2) rectifying the result by applying an…

Machine Learning · Computer Science 2012-06-18 Arthur Choi , Adnan Darwiche

The direct method used for calculating smooth radial basis function (RBF) interpolants in the flat limit becomes numerically unstable. The RBF-QR algorithm bypasses this ill-conditioning using a clever change of basis technique. We extend…

Numerical Analysis · Mathematics 2020-07-15 Kathryn P. Drake , Grady B. Wright

In electromagnetic simulations of magnets and machines one is often interested in a highly accurate and local evaluation of the magnetic field uniformity. Based on local post-processing of the solution, a defect correction scheme is…

Numerical Analysis · Mathematics 2017-02-09 Ulrich Römer , Sebastian Schöps , Herbert De Gersem

Decoupled fractional Laplacian wave equation can describe the seismic wave propagation in attenuating media. Fourier pseudospectral implementations, which solve the equation in spatial frequency domain, are the only existing methods for…

Numerical Analysis · Mathematics 2018-01-08 Yiran Xu , Jingye Li , Guofei Pang , Zhikai Wang , Xiaohong Chen