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Polynomial filtering can provide a highly effective means of computing all eigenvalues of a real symmetric (or complex Hermitian) matrix that are located in a given interval, anywhere in the spectrum. This paper describes a technique for…

Numerical Analysis · Mathematics 2015-12-29 Ruipeng Li , Yuanzhe Xi , Eugene Vecharynski , Chao Yang , Yousef Saad

The Lanczos algorithm has proven itself to be a valuable matrix eigensolver for problems with large dimensions, up to hundreds of millions or even tens of billions. The computational cost of using any Lanczos algorithm is dominated by the…

Computational Physics · Physics 2023-08-09 Ryan M. Zbikowski , Calvin W. Johnson

We investigate the solution of low-rank matrix approximation problems using the truncated SVD. For this purpose, we develop and optimize GPU implementations for the randomized SVD and a blocked variant of the Lanczos approach. Our work…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-12 Andres E. Tomas , Enrique S. Quintana-Orti , Hartwig Anzt

We consider computing the $k$-th eigenvalue and its corresponding eigenvector of a generalized Hermitian eigenvalue problem of $n\times n$ large sparse matrices. In electronic structure calculations, several properties of materials, such as…

Numerical Analysis · Mathematics 2018-08-01 Dongjin Lee , Takeo Hoshi , Tomohiro Sogabe , Yuto Miyatake , Shao-Liang Zhang

Signal-processing on graphs has developed into a very active field of research during the last decade. In particular, the number of applications using frames constructed from graphs, like wavelets on graphs, has substantially increased. To…

Numerical Analysis · Mathematics 2015-09-24 Ana Susnjara , Nathanael Perraudin , Daniel Kressner , Pierre Vandergheynst

The Convex Hull algorithm is one of the most important algorithms in computational geometry, with many applications such as in computer graphics, robotics, and data mining. Despite the advances in the new algorithms in this area, it is…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-21 Roberto Carrasco , Héctor Ferrada , Cristóbal A. Navarro , Nancy Hitschfeld

Spectral clustering is one of the most popular graph clustering algorithms, which achieves the best performance for many scientific and engineering applications. However, existing implementations in commonly used software platforms such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-14 Yu Jin , Joseph F. JaJa

Real-time data processing is one of the central processes of particle physics experiments which require large computing resources. The LHCb (Large Hadron Collider beauty) experiment will be upgraded to cope with a particle bunch collision…

We present an efficient method for computing dominant eigenvalues of large, nonsymmetric, diagonalizable matrices based on an adaptive block Lanczos algorithm combined with Chebyshev polynomial filtering. The proposed approach improves…

Numerical Analysis · Mathematics 2025-08-13 M. El Guide , K. Jbilou , K. Lachhab

We propose a thick-restart block Lanczos method, which is an extension of the thick-restart Lanczos method with the block algorithm, as an eigensolver of the large-scale shell-model calculations. This method has two advantages over the…

Nuclear Theory · Physics 2019-10-02 Noritaka Shimizu , Takahiro Mizusaki , Yutaka Utsuno , Yusuke Tsunoda

The distribution of the eigenvalues of a Hermitian matrix (or of a Hermitian matrix pencil) reveals important features of the underlying problem, whether a Hamiltonian system in physics, or a social network in behavioral sciences. However,…

Numerical Analysis · Mathematics 2017-06-22 Yuanzhe Xi , Ruipeng Li , Yousef Saad

A projection-based immersed boundary method is dominated by sparse linear algebra routines. Using the open-source Cusp library, we observe a speedup (with respect to a single CPU core) which reflects the constraints of a bandwidth-dominated…

Computational Engineering, Finance, and Science · Computer Science 2016-04-12 Simon K Layton , Anush Krishnan , Lorena A. Barba

Graph analytics techniques based on spectral methods process extremely large sparse matrices with millions or even billions of non-zero values. Behind these algorithms lies the Top-K sparse eigenproblem, the computation of the largest…

Hardware Architecture · Computer Science 2022-01-20 Francesco Sgherzi , Alberto Parravicini , Marco Domenico Santambrogio

We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block…

Numerical Analysis · Computer Science 2017-12-29 Meiyue Shao , Hasan Metin Aktulga , Chao Yang , Esmond G. Ng , Pieter Maris , James P. Vary

We present a GPU implementation of the finite-temperature Lanczos method (FTLM) for Heisenberg spin Hamiltonians that targets workstation hardware rather than distributed-memory clusters. The Hamiltonian action is evaluated matrix-free in a…

Strongly Correlated Electrons · Physics 2026-05-27 Shadan Ghassemi Tabrizi , Thomas D. Kühne

Recent work introduced a new framework for analyzing correlation functions with improved convergence and signal-to-noise properties, as well as rigorous quantification of excited-state effects, based on the Lanczos algorithm and spurious…

High Energy Physics - Lattice · Physics 2025-08-25 Daniel C. Hackett , Michael L. Wagman

We present a new algorithm that computes eigenvalues and eigenvectors of a Hermitian positive definite matrix while solving a linear system of equations with Conjugate Gradient (CG). Traditionally, all the CG iteration vectors could be…

High Energy Physics - Lattice · Physics 2011-10-12 Andreas Stathopoulos , Kostas Orginos

Bayesian spectral deconvolution provides a data-driven framework for mathematical model selection and parameter estimation from spectral data. Although highly versatile, it becomes computationally expensive as the number of model…

Computation · Statistics 2026-04-07 Tomohiro Nabika , Yui Hayashi , Masato Okada

Parallel algorithms on CPU and GPU are implemented for the Unified Gas-Kinetic Scheme and their performances are investigated and compared by a two dimensional channel flow case. The parallel CPU algorithm has a one dimensional block…

Computational Physics · Physics 2018-11-02 Jizhou Liu , Fang Q. Hu , Xiaodong Li

The technique that was used to build the EigCG algorithm for sparse symmetric linear systems is extended to the nonsymmetric case using the BiCG algorithm. We show that, similarly to the symmetric case, we can build an algorithm that is…

High Energy Physics - Lattice · Physics 2014-08-27 A. M. Abdel-Rehim , Andreas Stathopoulos , Kostas Orginos
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