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In Density Functional Theory simulations based on the LAPW method, each self-consistent field cycle comprises dozens of large dense generalized eigenproblems. In contrast to real-space methods, eigenpairs solving for problems at distinct…

Data Structures and Algorithms · Computer Science 2015-03-20 Edoardo Di Napoli , Mario Berljafa

We propose inexact subspace iteration for solving high-dimensional eigenvalue problems with low-rank structure. Inexactness stems from low-rank compression, enabling efficient representation of high-dimensional vectors in a low-rank tensor…

Numerical Analysis · Mathematics 2025-10-16 Alec Dektor , Peter DelMastro , Erika Ye , Roel Van Beeumen , Chao Yang

Many important problems are characterized by the eigenvalues of a large matrix. For example, the difficulty of many optimization problems, such as those arising from the fitting of large models in statistics and machine learning, can be…

In recent years, contour-based eigensolvers have emerged as a standard approach for the solution of large and sparse eigenvalue problems. Building upon recent performance improvements through non-linear least square optimization of…

Numerical Analysis · Mathematics 2021-12-14 Konrad Kollnig , Paolo Bientinesi , Edoardo Di Napoli

We present two open-source implementations of the Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) algorithm to find a few eigenvalues and eigenvectors of large, possibly sparse matrices. We then test LOBPCG for various…

Numerical Analysis · Mathematics 2023-05-12 Tommaso Nottoli , Ivan Giannì , Antoine Levitt , Filippo Lipparini

Traditional numerical methods for calculating matrix eigenvalues are prohibitively expensive for high-dimensional problems. Iterative random sparsification methods allow for the estimation of a single dominant eigenvalue at reduced cost by…

Numerical Analysis · Mathematics 2023-10-03 Samuel M. Greene , Robert J. Webber , Timothy C. Berkelbach , Jonathan Weare

We consider a quadrature-based eigensolver to find eigenpairs of Hermitian matrices arising in lattice quantum chromodynamics. To reduce the computational cost for finding eigenpairs of such Hermitian matrices, we propose a new technique…

High Energy Physics - Lattice · Physics 2011-03-28 H. Ohno , Y. Kuramashi , T. Sakurai , H. Tadano

We consider an iterative eigensolver for Schr\"odinger equations that constructs low-rank approximations of eigenfunctions with accuracy-adapted ranks, with particular focus on fermionic Schr\"odinger equations in second-quantized form and…

Numerical Analysis · Mathematics 2026-04-20 Markus Bachmayr , Sebastian Krämer , Max Pfeffer

In this paper, we highlight the role played by orthogonal and symplectic Harish-Chandra integrals in the study of real-valued matrix product ensembles. By making use of these integrals and the matrix-valued Fourier-Laplace transform, we…

Mathematical Physics · Physics 2017-11-30 Peter J. Forrester , Jesper R. Ipsen , Dang-Zheng Liu , Lun Zhang

We consider the solution of large-scale nonlinear algebraic Hermitian eigenproblems of the form $T(\lambda)v=0$ that admit a variational characterization of eigenvalues. These problems arise in a variety of applications and are…

Numerical Analysis · Mathematics 2015-04-14 Daniel B. Szyld , Eugene Vecharynski , Fei Xue

The Khatri-Rao product is extensively used in array processing, tensor decomposition, and multi-way data analysis. Many applications require a least-squares (LS) Khatri-Rao factorization. In broadband sensor array problems, polynomial…

Signal Processing · Electrical Eng. & Systems 2025-04-01 Faizan A. Khattak , Fazal-E-Asim , Stephan Weiss , Andre L. F. de Almeida

Contour integration schemes are a valuable tool for the solution of difficult interior eigenvalue problems. However, the solution of many large linear systems with multiple right hand sides may prove a prohibitive computational expense. The…

Numerical Analysis · Mathematics 2020-10-21 Sarah Huber , Yasunori Futamura , Martin Galgon , Akira Imakura , Bruno Lang , Tetsuya Sakurai

One popular way to compute the CANDECOMP/PARAFAC (CP) decomposition of a tensor is to transform the problem into a sequence of overdetermined least squares subproblems with Khatri-Rao product (KRP) structure involving factor matrices. In…

Numerical Analysis · Mathematics 2023-01-25 Yajie Yu , Hanyu Li

We introduce two generalizations to the paradigm of using Random Khatri-Rao Product (RKRP) codes for distributed matrix multiplication. We first introduce a class of codes called Sparse Random Khatri-Rao Product (SRKRP) codes which have…

Information Theory · Computer Science 2022-05-13 Ruowan Ji , Anoosheh Heidarzadeh , Krishna R. Narayanan

In many applications, the information about the number of eigenvalues inside a given region is required. In this paper, we propose a contour-integral based method for this purpose. The new method is motivated by two findings. There exist…

Numerical Analysis · Mathematics 2015-05-19 Guojian Yin

We describe our software package Block Locally Optimal Preconditioned Eigenvalue Xolvers (BLOPEX) publicly released recently. BLOPEX is available as a stand-alone serial library, as an external package to PETSc (``Portable, Extensible…

Mathematical Software · Computer Science 2010-06-02 A. V. Knyazev , M. E. Argentati , I. Lashuk , E. E. Ovtchinnikov

The eigenvalues and eigenvectors of nonnormal matrices can be unstable under perturbations of their entries. This renders an obstacle to the analysis of numerical algorithms for non-Hermitian eigenvalue problems. A recent technique to…

Probability · Mathematics 2026-04-14 Rikhav Shah , Nikhil Srivastava , Edward Zeng

We consider and analyze applying a spectral inverse iteration algorithm and its subspace iteration variant for computing eigenpairs of an elliptic operator with random coefficients. With these iterative algorithms the solution is sought…

Numerical Analysis · Computer Science 2017-06-16 Harri Hakula , Mikael Laaksonen

Since introduction [A. Knyazev, Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method, SISC (2001) DOI:10.1137/S1064827500366124] and efficient parallel implementation [A. Knyazev et…

Numerical Analysis · Computer Science 2017-08-29 Andrew Knyazev

The eigenvalue density of a matrix plays an important role in various types of scientific computing such as electronic-structure calculations. In this paper, we propose a quantum algorithm for computing the eigenvalue density in a given…

Quantum Physics · Physics 2021-12-13 Yasunori Futamura , Xiucai Ye , Tetsuya Sakurai