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We present two methods to accelerate first-principles structural relaxations, both based on the dynamical matrix obtained from a universal model of springs for bond stretching and bending. Despite its simplicity, the normal modes of this…

Materials Science · Physics 2009-11-07 M. V. Fernandez-Serra , Emilio Artacho , Jose. M. Soler

We study a preconditioner for a Hermitian positive definite linear system, which is obtained as the solution of a matrix nearness problem based on the Bregman log determinant divergence. The preconditioner is of the form of a Hermitian…

Numerical Analysis · Mathematics 2023-12-15 Andreas Bock , Martin S. Andersen

Although some preconditioners are available for solving dense linear systems, there are still many matrices for which preconditioners are lacking, in particular in cases where the size of the matrix $N$ becomes very large. There remains…

Numerical Analysis · Mathematics 2016-02-05 Pieter Coulier , Hadi Pouransari , Eric Darve

We explore a scaled spectral preconditioner for the efficient solution of sequences of symmetric and positive-definite linear systems. We design the scaled preconditioner not only as an approximation of the inverse of the linear system but…

Numerical Analysis · Mathematics 2024-10-04 Youssef Diouane , Selime Gürol , Oussama Mouhtal , Dominique Orban

Despite hundreds of papers on preconditioned linear systems of equations, there remains a significant lack of comprehensive performance benchmarks comparing various preconditioners for solving symmetric positive definite (SPD) systems. In…

Numerical Analysis · Mathematics 2025-05-28 Marc A. Tunnell , David F. Gleich

Purpose: Design of a preconditioner for fast and efficient parallel imaging and compressed sensing reconstructions. Theory: Parallel imaging and compressed sensing reconstructions become time consuming when the problem size or the number of…

Computer Vision and Pattern Recognition · Computer Science 2018-08-14 Kirsten Koolstra , Jeroen van Gemert , Peter Börnert , Andrew Webb , Rob Remis

Solving the normal equations corresponding to large sparse linear least-squares problems is an important and challenging problem. For very large problems, an iterative solver is needed and, in general, a preconditioner is required to…

Numerical Analysis · Mathematics 2022-01-04 Hussam Al Daas , Pierre Jolivet , Jennifer Scott

We study the estimation of the latent variable Gaussian graphical model (LVGGM), where the precision matrix is the superposition of a sparse matrix and a low-rank matrix. In order to speed up the estimation of the sparse plus low-rank…

Machine Learning · Statistics 2017-03-01 Pan Xu , Jian Ma , Quanquan Gu

We present scalable iterative solvers and preconditioning strategies for Hybridizable Discontinuous Galerkin (HDG) discretizations of partial differential equations (PDEs) on graphics processing units (GPUs). The HDG method is implemented…

Numerical Analysis · Mathematics 2025-12-16 Andrew Welter , Ngoc Cuong Nguyen

The Legendre spectral Galerkin method of self-adjoint second order elliptic equations usually results in a linear system with a dense and ill-conditioned coefficient matrix. In this paper, the linear system is solved by a preconditioned…

Numerical Analysis · Mathematics 2020-04-30 Xuhao Diao , Jun Hu , Suna Ma

This article is concerned with the question of constructing effcient multigrid preconditioners for the linear systems arising when applying semismooth Newton methods to large-scale linear-quadratic optimization problems constrained by…

Numerical Analysis · Mathematics 2013-11-08 Andrei Draganescu

A preconditioning theory is presented which establishes sufficient conditions for multiplicative and additive Schwarz algorithms to yield self-adjoint positive definite preconditioners. It allows for the analysis and use of non-variational…

Numerical Analysis · Mathematics 2010-01-12 Michael Holst , Stefan Vandewalle

In recent years, the fervent demand for computational power across various domains has prompted hardware manufacturers to introduce specialized computing hardware aimed at enhancing computational capabilities. Particularly, the utilization…

Numerical Analysis · Mathematics 2024-03-12 Hongyaoxing Gu

This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems where the determination of the entries of a matrix constitutes…

Chemical Physics · Physics 2014-10-21 Jacob N. Sanders , Xavier Andrade , Alán Aspuru-Guzik

Iterative solvers preconditioned with algebraic multigrid have been devised as an optimal technology to speed up the response of large sparse linear systems. In this work, this technique was implemented in the framework of the dual…

Geophysics · Physics 2020-01-22 M. A. Sbai , A. Larabi

The conjugate gradient solver (CG) is a prevalent method for solving symmetric and positive definite linear systems Ax=b, where effective preconditioners are crucial for fast convergence. Traditional preconditioners rely on prescribed…

Machine Learning · Computer Science 2025-11-03 Zherui Yang , Zhehao Li , Kangbo Lyu , Yixuan Li , Tao Du , Ligang Liu

Kernel methods are a popular class of nonlinear predictive models in machine learning. Scalable algorithms for learning kernel models need to be iterative in nature, but convergence can be slow due to poor conditioning. Spectral…

Machine Learning · Statistics 2024-01-26 Amirhesam Abedsoltan , Parthe Pandit , Luis Rademacher , Mikhail Belkin

We propose a two-level nested preconditioned iterative scheme for solving sparse linear systems of equations in which the coefficient matrix is symmetric and indefinite with relatively small number of negative eigenvalues. The proposed…

Numerical Analysis · Computer Science 2019-01-29 Murat Manguoglu , Volker Mehrmann

We implement an efficient energy-minimization algorithm for finite-difference micromagnetics that proofs especially useful for the computation of hysteresis loops. Compared to results obtained by time integration of the…

Computational Physics · Physics 2014-10-27 Claas Abert , Gregor Wautischer , Florian Bruckner , Armin Satz , Dieter Suess

Linear systems arise in generating samples and in calculating observables in lattice quantum chromodynamics~(QCD). Solving the Hermitian positive definite systems, which are sparse but ill-conditioned, involves using iterative methods, such…

High Energy Physics - Lattice · Physics 2025-09-15 Yixuan Sun , Srinivas Eswar , Yin Lin , William Detmold , Phiala Shanahan , Xiaoye Li , Yang Liu , Prasanna Balaprakash