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The randomly pivoted partial Cholesky algorithm (RPCholesky) computes a factorized rank-k approximation of an N x N positive-semidefinite (psd) matrix. RPCholesky requires only (k + 1) N entry evaluations and O(k^2 N) additional arithmetic…

Numerical Analysis · Mathematics 2024-10-23 Yifan Chen , Ethan N. Epperly , Joel A. Tropp , Robert J. Webber

The Cholesky decomposition is a fundamental tool for solving linear systems with symmetric and positive definite matrices which are ubiquitous in linear algebra, optimization, and machine learning. Its numerical stability can be improved by…

Machine Learning · Computer Science 2025-07-29 Filip de Roos , Fabio Muratore

A new algorithm to approximate Hermitian matrices by positive semidefinite Hermitian matrices based on modified Cholesky decompositions is presented. In contrast to existing algorithms, this algorithm allows to specify bounds on the…

Numerical Analysis · Mathematics 2019-12-12 Joscha Reimer

This paper develops and analyzes a new algorithm for QR decomposition with column pivoting (QRCP) of rectangular matrices with many more rows than columns. The algorithm carefully combines methods from randomized numerical linear algebra to…

Numerical Analysis · Mathematics 2025-03-18 Maksim Melnichenko , Oleg Balabanov , Riley Murray , James Demmel , Michael W. Mahoney , Piotr Luszczek

Randomly pivoted Cholesky (RPCholesky) is an algorithm for constructing a low-rank approximation of a positive-semidefinite matrix using a small number of columns. This paper develops an accelerated version of RPCholesky that employs block…

Numerical Analysis · Mathematics 2025-04-08 Ethan N. Epperly , Joel A. Tropp , Robert J. Webber

The modified Cholesky decomposition is commonly used for precision matrix estimation given a specified order of random variables. However, the order of variables is often not available or cannot be pre-determined. In this work, we propose…

Machine Learning · Statistics 2021-11-23 Xiaoning Kang , Xinwei Deng

We develop an accelerated algorithm for computing an approximate eigenvalue decomposition of bistochastic normalized kernel matrices. Our approach constructs a low rank approximation of the original kernel matrix by the pivoted partial…

Numerical Analysis · Mathematics 2025-11-13 Chris Vales , Dimitrios Giannakis

In general, algorithms for order-3 CANDECOMP/-PARAFAC (CP), also coined canonical polyadic decomposition (CPD), are easily to implement and can be extended to higher order CPD. Unfortunately, the algorithms become computationally demanding,…

Numerical Analysis · Mathematics 2017-04-26 Anh Huy Phan , Petr Tichavsky , Andrzej Cichocki

This work considers the problem of computing the canonical polyadic decomposition (CPD) of large tensors. Prior works mostly leverage data sparsity to handle this problem, which is not suitable for handling dense tensors that often arise in…

Signal Processing · Electrical Eng. & Systems 2020-03-26 Xiao Fu , Shahana Ibrahim , Hoi-To Wai , Cheng Gao , Kejun Huang

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous…

Numerical Analysis · Mathematics 2023-12-08 Ethan N. Epperly , Elvira Moreno

Estimation of large sparse covariance matrices is of great importance for statistical analysis, especially in the high-dimensional settings. The traditional approach such as the sample covariance matrix performs poorly due to the high…

Statistics Theory · Mathematics 2023-08-21 Xiaoning Kang , Xinwei Deng

In recent years, there has been widespread adoption of machine learning-based approaches to automate the solving of partial differential equations (PDEs). Among these approaches, Gaussian processes (GPs) and kernel methods have garnered…

Numerical Analysis · Mathematics 2024-03-12 Yifan Chen , Houman Owhadi , Florian Schäfer

Kernel-based clustering algorithm can identify and capture the non-linear structure in datasets, and thereby it can achieve better performance than linear clustering. However, computing and storing the entire kernel matrix occupy so large…

Machine Learning · Computer Science 2020-02-10 Li Chen , Shuisheng Zhou , Jiajun Ma

We provide two methods for computation of continuum backstepping kernels that arise in control of continua (ensembles) of linear hyperbolic PDEs and which can approximate backstepping kernels arising in control of a large-scale, PDE system…

Optimization and Control · Mathematics 2024-12-06 Jukka-Pekka Humaloja , Nikolaos Bekiaris-Liberis

We consider fast deterministic algorithms to identify the "best" linearly independent terms in multivariate mixtures and use them to compute, up to a user-selected accuracy, an equivalent representation with fewer terms. One algorithm…

Numerical Analysis · Mathematics 2019-02-20 Gregory Beylkin , Lucas Monzon , Xinshuo Yang

Dynamic Mode Decomposition (DMD) is a data-driven method related to Koopman operator theory that extracts information about dominant dynamics from data snapshots. In this paper we examine techniques to accelerate the application of DMD to…

Numerical Analysis · Mathematics 2026-02-02 Peter Oehme

Principal component analysis (PCA) is a dimensionality reduction method in data analysis that involves diagonalizing the covariance matrix of the dataset. Recently, quantum algorithms have been formulated for PCA based on diagonalizing a…

Quantum Physics · Physics 2022-10-26 Max Hunter Gordon , M. Cerezo , Lukasz Cincio , Patrick J. Coles

We present a new straightforward principal component analysis (PCA) method based on the diagonalization of the weighted variance-covariance matrix through two spectral decomposition methods: power iteration and Rayleigh quotient iteration.…

Instrumentation and Methods for Astrophysics · Physics 2014-12-16 Ludovic Delchambre

Low-rank approximations of large kernel matrices are ubiquitous in machine learning, particularly for scaling Gaussian Processes to massive datasets. The Pivoted Cholesky decomposition is a standard tool for this task, offering a…

Machine Learning · Computer Science 2026-01-21 Gil Shabat

The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the extended electronic state generate significant linear…

Chemical Physics · Physics 2019-12-30 Susi Lehtola
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