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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

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

Efficient and suitably preconditioned iterative solvers for elliptic partial differential equations (PDEs) of the convection-diffusion type are used in all fields of science and engineering. To achieve optimal performance, solvers have to…

Numerical Analysis · Mathematics 2019-07-24 Peter Bastian , Eike Hermann Müller , Steffen Müthing , Marian Piatkowski

We turn a given filter bank into a filtering scheme that provides perfect reconstruction, synthesis is the adjoint of the analysis part (so-called unitary filter banks), all filters have equal norm, and the essential features of the…

Functional Analysis · Mathematics 2017-09-04 Martin Ehler

This paper introduces a preconditioned method designed to comprehensively address the saddle point system with the aim of improving convergence efficiency. In the preprocessor construction phase, a technical approach for solving the…

Numerical Analysis · Mathematics 2024-04-10 Juan Zhang , Yiyi Luo

We present a novel preconditioning technique for proximal optimization methods that relies on graph algorithms to construct effective preconditioners. Such combinatorial preconditioners arise from partitioning the graph into forests. We…

Optimization and Control · Mathematics 2018-02-22 Thomas Möllenhoff , Zhenzhang Ye , Tao Wu , Daniel Cremers

Domain decomposition (DD) methods are widely used as preconditioner techniques. Their effectiveness relies on the choice of a locally constructed coarse space. Thus far, this construction was mostly achieved using non-assembled matrices…

Numerical Analysis · Mathematics 2021-09-14 Hussam Al Daas , Pierre Jolivet

Solving systems of linear equations is a problem occuring frequently in water engineering applications. Usually the size of the problem is too large to be solved via direct factorization. One can resort to iterative approaches, in…

Machine Learning · Computer Science 2019-06-18 Johannes Sappl , Laurent Seiler , Matthias Harders , Wolfgang Rauch

Folding grid value vectors of size $2^L$ into $L$th order tensors of mode sizes $2\times \cdots\times 2$, combined with low-rank representation in the tensor train format, has been shown to lead to highly efficient approximations for…

Numerical Analysis · Mathematics 2019-11-19 Markus Bachmayr , Vladimir Kazeev

In present paper we propose seemingly new method for finding solutions of some types of nonlinear PDEs in closed form. The method is based on decomposition of nonlinear operators on sequence of operators of lower orders. It is shown that…

Mathematical Physics · Physics 2007-05-23 Yu. N. Kosovtsov

We investigate a general matrix factorization for deviance-based data losses, extending the ubiquitous singular value decomposition beyond squared error loss. While similar approaches have been explored before, our method leverages…

Machine Learning · Statistics 2023-07-04 Liang Wang , Luis Carvalho

Linear systems with large differences between coefficients ("discontinuous coefficients") arise in many cases in which partial differential equations(PDEs) model physical phenomena involving heterogeneous media. The standard approach to…

Mathematical Software · Computer Science 2009-05-04 Dan Gordon , Rachel Gordon

In recent years, several algorithms, which approximate matrix decomposition, have been developed. These algorithms are based on metric conservation features for linear spaces of random projection types. We show that an i.i.d sub-Gaussian…

Numerical Analysis · Mathematics 2016-02-11 Yariv Aizenbud , Amir Averbuch

Using the theory of equitable decompositions it is possible to decompose a matrix $M$ appropriately associated with a given graph. The result is a collection of smaller matrices whose collective eigenvalues are the same as the eigenvalues…

Combinatorics · Mathematics 2018-09-24 Amanda Francis , Dallas Smith , Benjamin Webb

Decomposing discrete signals such as images into components is vital in many applications, and this paper propose a framework to produce filtering banks to accomplish this task. The framework is an equation set which is ill-posed, and thus…

Image and Video Processing · Electrical Eng. & Systems 2018-04-05 Yiguang Liu

This paper presents a couple of preconditioning techniques that can be used to enhance the performance of iterative regularization methods applied to image deblurring problems with a variety of point spread functions (PSFs) and boundary…

Numerical Analysis · Mathematics 2022-12-13 Marco Donatelli , Paola Ferrari , Silvia Gazzola

The discretization of certain integral equations, e.g., the first-kind Fredholm equation of Laplace's equation, leads to symmetric positive-definite linear systems, where the coefficient matrix is dense and often ill-conditioned. We…

Numerical Analysis · Mathematics 2022-08-22 Chao Chen , George Biros

Preconditioning is widely used in machine learning to accelerate convergence on the empirical risk, yet its role on the expected risk remains underexplored. In this work, we investigate how preconditioning affects feature learning and…

Machine Learning · Computer Science 2025-10-01 Kotaro Yoshida , Atsushi Nitanda

A new generalized cyclic symmetric structure in the factor matrices of polyadic decompositions of matrix multiplication tensors for non-square matrix multiplication is proposed to reduce the number of variables in the optimization problem…

Numerical Analysis · Mathematics 2025-03-19 Charlotte Vermeylen , Marc Van Barel

Common techniques for the spatial discretisation of PDEs on a macroscale grid include finite difference, finite elements and finite volume methods. Such methods typically impose assumed microscale structures on the subgrid fields, so…

Dynamical Systems · Mathematics 2022-04-15 J. E. Bunder , A. J. Roberts