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For Hermitian positive definite linear systems and eigenvalue problems, the eigCG algorithm is a memory efficient algorithm that solves the linear system and simultaneously computes some of its eigenvalues. The algorithm is based on the…

High Energy Physics - Lattice · Physics 2010-02-19 Abdou Abdel-Rehim , Kostas Orginos , Andreas Stathopoulos

We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…

High Energy Physics - Lattice · Physics 2011-02-16 Richard Galvez , Greg van Anders

This article presents the principles, software architecture, and performance analysis of the GPU port of the lattice Boltzmann software library Palabos (J. Latt et al., "Palabos: Parallel lattice Boltzmann solver", Comput. Math. Appl. 81,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-12 Jonas Latt , Christophe Coreixas

Chebyshev filter diagonalization is well established in quantum chemistry and quantum physics to compute bulks of eigenvalues of large sparse matrices. Choosing a block vector implementation, we investigate optimization opportunities on the…

Mathematical Software · Computer Science 2020-06-25 Moritz Kreutzer , Georg Hager , Dominik Ernst , Holger Fehske , Alan R. Bishop , Gerhard Wellein

In recent years, applications such as real-time simulations, autonomous systems, and video games increasingly demand the processing of complex geometric models under stringent time constraints. Traditional geometric algorithms, including…

Computational Geometry · Computer Science 2026-01-30 Roberto Carrasco , Enzo Meneses , Hector Ferrada , Cristobal A. Navarro , Nancy Hitschfeld

Recent work has shown that the (block) Lanczos algorithm can be used to extract approximate energy spectra and matrix elements from (matrices of) correlation functions in quantum field theory, and identified exact coincidences between…

High Energy Physics - Lattice · Physics 2025-03-24 Ryan Abbott , Daniel C. Hackett , George T. Fleming , Dimitra A. Pefkou , Michael L. Wagman

This work introduces a method for determining the energy spectrum of lattice quantum chromodynamics (LQCD) by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to…

High Energy Physics - Lattice · Physics 2025-05-09 Michael L. Wagman

The Lanczos method with implicit restarting is one of the most popular methods for finding a few exterior eigenpairs of a large symmetric matrix $A$. Usually based on polynomial filtering, restarting is crucial to limit memory and the cost…

Numerical Analysis · Mathematics 2026-02-25 Angelo A. Casulli , Daniel Kressner , Nian Shao

A thick-restart Lanczos type algorithm is proposed for Hermitian $J$-symmetric matrices. Since Hermitian $J$-symmetric matrices possess doubly degenerate spectra or doubly multiple eigenvalues with a simple relation between the degenerate…

Numerical Analysis · Mathematics 2020-09-14 Ken-Ichi Ishikawa , Tomohiro Sogabe

In this paper we present a methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same left-hand-side (LHS) matrix. The intended application is to the numerical solution of Partial…

Computational Physics · Physics 2021-07-13 Enda Carroll , Andrew Gloster , Miguel D. Bustamante , Lennon Ó' Náraigh

Principal component analysis (PCA) is a key statistical technique for multivariate data analysis. For large data sets the common approach to PCA computation is based on the standard NIPALS-PCA algorithm, which unfortunately suffers from…

Quantitative Methods · Quantitative Biology 2008-11-10 M. Andrecut

The low rank approximation of matrices is a crucial component in many data mining applications today. A competitive algorithm for this class of problems is the randomized block Lanczos algorithm - an amalgamation of the traditional block…

Numerical Analysis · Mathematics 2018-08-21 Qiaochu Yuan , Ming Gu , Bo Li

Interior eigenvalue problems for large-scale sparse Hermitian matrices are fundamental in computational science. We propose an adaptive polynomial filtering strategy based on Chebyshev expansion of a step function, integrated into a…

Numerical Analysis · Mathematics 2026-04-02 Xiaofei Xu , Yuhui Ni , Shengguo Li , Juan Zhang

In her seminal 1989 work, Greenbaum demonstrated that the results produced by the finite precision Lanczos algorithm after $k$ iterations can be interpreted as exact Lanczos results applied to a larger matrix, whose eigenvalues lie in small…

Numerical Analysis · Mathematics 2025-07-23 Dorota Šimonová , Petr Tichý

Due to their flexibility and theoretical tractability Gaussian process (GP) regression models have become a central topic in modern statistics and machine learning. While the true posterior in these models is given explicitly, numerical…

Machine Learning · Statistics 2024-06-19 Bernhard Stankewitz , Botond Szabo

We develop a distributed Block Chebyshev-Davidson algorithm to solve large-scale leading eigenvalue problems for spectral analysis in spectral clustering. First, the efficiency of the Chebyshev-Davidson algorithm relies on the prior…

Machine Learning · Computer Science 2024-01-08 Qiyuan Pang , Haizhao Yang

Heterogeneity in the cell population of cancer tissues poses many challenges in cancer diagnosis and treatment. Studying the heterogeneity in cell populations from gene expression measurement data in the context of cancer research is a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-31 Anik Chaudhuri , Anwoy Mohanty , Manoranjan Satpathy

GPCG is an algorithm within the Toolkit for Advanced Optimization (TAO) for solving bound constrained, convex quadratic problems. Originally developed by More' and Toraldo, this algorithm was designed for large-scale problems but had been…

Mathematical Software · Computer Science 2007-05-23 Steven J. Benson , Lois Curfman McInnes , Jorge J. Moré

We present GFORS, a GPU-accelerated framework for large binary integer programs. It couples a first-order (PDHG-style) routine that guides the search in the continuous relaxation with a randomized, feasibility-aware sampling module that…

Optimization and Control · Mathematics 2025-11-03 Ningji Wei , Jiaming Liang

We implement the Lanczos algorithm on an Intel Xeon Phi coprocessor and compare its performance to a multi-core Intel Xeon CPU and an NVIDIA graphics processor. The Xeon and the Xeon Phi are parallelized with OpenMP and the graphics…

Strongly Correlated Electrons · Physics 2016-09-21 Topi Siro , Ari Harju