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Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient…

Machine Learning · Computer Science 2022-06-22 Jonathan Wenger , Geoff Pleiss , Philipp Hennig , John P. Cunningham , Jacob R. Gardner

We develop a simple algorithmic framework to solve large-scale symmetric positive definite linear systems. At its core, the framework relies on two components: (1) a norm-convergent iterative method (i.e. smoother) and (2) a preconditioner.…

Numerical Analysis · Mathematics 2013-02-18 Xiaozhe Hu , Shuhong Wu , Xiao-Hui Wu , Jinchao Xu , Chen-Song Zhang , Shiquan Zhang , Ludmil Zikatanov

A class of preconditioners is introduced to enhance geometry optimisation and transition state search of molecular systems. We start from the Hessian of molecular mechanical terms, decompose it and retain only its positive definite part to…

Chemical Physics · Physics 2018-04-06 Letif Mones , Gabor Csanyi , Christoph Ortner

Poroelasticity problems play an important role in various engineering, geophysical, and biological applications. Their full discretization results in a large-scale saddle-point system at each time step that is becoming singular for locking…

Numerical Analysis · Mathematics 2025-06-27 Weizhang Huang , Zhuoran Wang

A new domain decomposition preconditioner is introduced for efficiently solving linear systems Ax = b with a symmetric positive definite matrix A. The particularity of the new preconditioner is that it is not necessary to have access to the…

Numerical Analysis · Mathematics 2021-06-23 Nicole Spillane

The main computational cost of algorithms for computing reduced-order models of parametric dynamical systems is in solving sequences of very large and sparse linear systems. We focus on efficiently solving these linear systems, arising…

Numerical Analysis · Mathematics 2018-09-19 Navneet Pratap Singh , Kapil Ahuja

Steepest descent preconditioning is considered for the recently proposed nonlinear generalized minimal residual (N-GMRES) optimization algorithm for unconstrained nonlinear optimization. Two steepest descent preconditioning variants are…

Numerical Analysis · Mathematics 2011-07-26 Hans De Sterck

We consider the simulation of electromagnetic scattering by single and multiple isotropic homogeneous dielectric particles using boundary integral equations. Galerkin discretizations of the classical Poggio-Miller-Chang-Harrington-Wu-Tsai…

Numerical Analysis · Mathematics 2020-05-14 Antigoni Kleanthous , Timo Betcke , David P. Hewett , Matthew W. Scroggs , Anthony J. Baran

Preconditioners are generally essential for fast convergence in the iterative solution of linear systems of equations. However, the computation of a good preconditioner can be expensive. So, while solving a sequence of many linear systems,…

Numerical Analysis · Mathematics 2020-12-21 Arielle Grim-McNally , Eric de Sturler , Serkan Gugercin

We present a novel block-preconditioner for the elastic Helmholtz equation, based on a reduction to acoustic Helmholtz equations. Both versions of the Helmholtz equations are challenging numerically. The elastic Helmholtz equation is…

Numerical Analysis · Mathematics 2025-12-09 Rachel Yovel , Eran Treister

The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure…

Materials Science · Physics 2013-08-13 Yunfeng Cai , Zhaojun Bai , John E. Pask , N. Sukumar

Preconditioning has long been a staple technique in optimization, often applied to reduce the condition number of a matrix and speed up the convergence of algorithms. Although there are many popular preconditioning techniques in practice,…

Optimization and Control · Mathematics 2022-11-08 Zhaonan Qu , Wenzhi Gao , Oliver Hinder , Yinyu Ye , Zhengyuan Zhou

We are interested in fast and stable iterative regularization methods for image deblurring problems with space invariant blur. The associated coefficient matrix has a Block Toeplitz Toeplitz Blocks (BTTB) like structure plus a small rank…

Numerical Analysis · Mathematics 2020-09-07 Davide Bianchi , Alessandro Buccini

In this paper, we present block preconditioners for a stabilized discretization of the poroelastic equations developed in [45]. The discretization is proved to be well-posed with respect to the physical and discretization parameters, and…

Numerical Analysis · Mathematics 2020-01-07 James H. Adler , Francisco J. Gaspar , Xiaozhe Hu , Peter Ohm , Carmen Rodrigo , Ludmil T. Zikatanov

When given a generalized matrix separation problem, which aims to recover a low rank matrix $L_0$ and a sparse matrix $S_0$ from $M_0=L_0+HS_0$, the work \cite{CW25} proposes a novel convex optimization problem whose objective function is…

Optimization and Control · Mathematics 2026-05-05 Xuemei Chen , Owen Deen

Efficient numerical solvers for partial differential equations empower science and engineering. One of the commonly employed numerical solvers is the preconditioned conjugate gradient (PCG) algorithm which can solve large systems to a given…

Numerical Analysis · Mathematics 2023-09-07 Yichen Li , Peter Yichen Chen , Tao Du , Wojciech Matusik

For some typical and widely used non-convex half-quadratic regularization models and the Ambrosio-Tortorelli approximate Mumford-Shah model, based on the Kurdyka-\L ojasiewicz analysis and the recent nonconvex proximal algorithms, we…

Optimization and Control · Mathematics 2021-07-30 Shengxiang Deng , Ismail Ben Ayed , Hongpeng Sun

In this thesis we study the preconditioning of square, non-symmetric and real Toeplitz systems. We prove theoretical results, which constitute sufficient conditions for the efficiency of the proposed preconditioners and the fast convergence…

Numerical Analysis · Mathematics 2023-03-07 Grigorios Tachyridis

We consider symmetric positive definite preconditioners for multiple saddle-point systems of block tridiagonal form, which can be applied within the MINRES algorithm. We describe such a preconditioner for which the preconditioned matrix has…

Numerical Analysis · Mathematics 2023-02-02 John W. Pearson , Andreas Potschka

A combination of block-Jacobi and deflation preconditioning is used to solve a high-order discontinuous collocation-based discretization of the Schur complement of the Poisson-Neumann system as arises in the operator splitting of the…

Numerical Analysis · Mathematics 2016-03-23 Sumedh M. Joshi , Greg N. Thomsen , Peter J. Diamessis