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Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…

We develop a fast divided-and-conquer indirect collocation method for the homogeneous Dirichlet boundary value problem of variable-order space-fractional diffusion equations. Due to the impact of the space-dependent variable order, the…

Numerical Analysis · Mathematics 2019-07-09 Jinhong Jia , Xiangcheng Zheng , Hong Wang

We present a family of integral equation-based solvers for the linear or semilinear heat equation in complicated moving (or stationary) geometries. This approach has significant advantages over more standard finite element or finite…

Numerical Analysis · Mathematics 2022-12-06 Jun Wang , Leslie Greengard , Shidong Jiang , Shravan Veerapaneni

We developed a fast numerical algorithm for solving the three dimensional vectorial Helmholtz equation that arises in electromagnetic scattering problems. The algorithm is based on electric field integral equations and is essentially a…

Computational Physics · Physics 2019-07-24 S. B. Wang , H. H. Zheng , J. J. Xiao , Z. F. Lin , C. T. Chan

Fast, high-order accurate algorithms for electromagnetic scattering from axisymmetric objects are of great importance when modeling physical phenomena in optics, materials science (e.g. meta-materials), and many other fields of applied…

Numerical Analysis · Mathematics 2019-05-22 Jun Lai , Michael O'Neil

We introduce a Fourier-based fast algorithm for Gaussian process regression in low dimensions. It approximates a translationally-invariant covariance kernel by complex exponentials on an equispaced Cartesian frequency grid of $M$ nodes.…

Computation · Statistics 2023-05-19 Philip Greengard , Manas Rachh , Alex Barnett

Fourier solvers have become efficient tools to establish structure-property relations in heterogeneous materials. Introduced as an alternative to the Finite Element (FE) method, they are based on fixed-point solutions of the…

Computational Physics · Physics 2017-09-01 Jan Zeman , Tom W. J. de Geus , Jaroslav Vondřejc , Ron H. J. Peerlings , Marc G. D. Geers

We give two algebro-geometric inspired approaches to fast algorithms for Fourier transforms in algebraic signal processing theory based on polynomial algebras in several variables. One is based on module induction and one is based on a…

Numerical Analysis · Mathematics 2024-12-20 Bastian Seifert

We propose a novel framework for fast integral operations by uncovering hidden geometries in the row and column structures of the underlying operators. This is accomplished through the \texttt{Questionnaire} algorithm, an iterative…

Numerical Analysis · Mathematics 2026-02-27 Pei-Chun Su , Ronald R. Coifman

The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) trial wave functions' fast Fourier transform (FFT) is a…

Computational Physics · Physics 2018-01-17 Xingyu Gao , Zeyao Mo , Jun Fang , Han Wang

We present a quasi-linearly scaling, first order polynomial finite element method for the solution of the magnetostatic open boundary problem by splitting the magnetic scalar potential. The potential is determined by solving a Dirichlet…

Computational Physics · Physics 2014-04-25 Lukas Exl , Thomas Schrefl

We investigate integral formulations and fast algorithms for the steady-state radiative transfer equation with isotropic and anisotropic scattering. When the scattering term is a smooth convolution on the unit sphere, a model reduction step…

Numerical Analysis · Mathematics 2019-02-20 Yuwei Fan , Jing An , Lexing Ying

We present a spectrally accurate method for the rapid evaluation of free-space Stokes potentials, i.e. sums involving a large number of free space Green's functions. We consider sums involving stokeslets, stresslets and rotlets that appear…

Numerical Analysis · Mathematics 2018-01-18 Ludvig af Klinteberg , Davoud Saffar Shamshirgar , Anna-Karin Tornberg

The objective of this study is to present a novel, efficient, and fast direct method for solving linear systems of equations whose coefficient matrix is a tridiagonal Quasi-Toeplitz matrix. Such matrices are frequently encountered in the…

Numerical Analysis · Mathematics 2024-12-24 Shahin Hasanbeigi

A new method for numerical solving of boundary problem for ordinary differential equations with slowly varying coefficients which is aimed at better representation of solutions in the regions of their rapid oscillations or exponential…

Computational Physics · Physics 2007-05-23 V. E. Moiseenko , V. V. Pilipenko

We propose a new discrete FFT-based method for computational homogenization of micromechanics on a regular grid that is simple, fast and robust. The discretization scheme is based on a tetrahedral stencil that displays three crucial…

Numerical Analysis · Mathematics 2024-05-21 Alphonse Finel

The discrete Fourier transform (DFT) is an important operator which acts on the Hilbert space of complex valued functions on the ring Z/NZ. In the case where N=p is an odd prime number, we exhibit a canonical basis of eigenvectors for the…

Information Theory · Computer Science 2008-12-27 Shamgar Gurevich , Ronny Hadani

This paper describes a fast direct boundary element method for elastodynamic transmission problems in two dimensions, which can be used for analyzing elastic wave scattering by an inclusion. We develop an efficient solver based on a…

Numerical Analysis · Mathematics 2026-03-24 Yasuhiro Matsumoto , Taizo Maruyama

We present a new solver for nonlinear parabolic problems that is L-stable and achieves high order accuracy in space and time. The solver is built by first constructing a single-dimensional heat equation solver that uses fast O(N)…

Numerical Analysis · Mathematics 2016-01-19 Matthew F. Causley , Hana Cho , Andrew J. Christlieb , David C. Seal

Orthogonal systems in $\mathrm{L}_2(\mathbb{R})$, once implemented in spectral methods, enjoy a number of important advantages if their differentiation matrix is skew-symmetric and highly structured. Such systems, where the differentiation…

Numerical Analysis · Mathematics 2019-11-14 Arieh Iserles , Marcus Webb
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