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Iterative methods for solving large sparse systems of linear equations are widely used in many HPC applications. Extreme scaling of these methods can be difficult, however, since global communication to form dot products is typically…

Mathematical Software · Computer Science 2020-09-29 Nick Brown , J. Mark Bull , Iain Bethune

We introduce a multimodel approach to solve coupled cluster equations, employing a quasi Newton algorithm for the ground state and an Olsen algorithm for the excited states. In these algorithms, both of which can be viewed as Newton…

Chemical Physics · Physics 2020-07-15 Eirik F. Kjønstad , Sarai D. Folkestad , Henrik Koch

The efficient and accurate QR decomposition for matrices with hierarchical low-rank structures, such as HODLR and hierarchical matrices, has been challenging. Existing structure-exploiting algorithms are prone to numerical instability as…

Numerical Analysis · Mathematics 2018-09-28 Daniel Kressner , Ana Susnjara

The QLP decomposition is one of the effective algorithms to approximate singular value decomposition (SVD) in numerical linear algebra. In this paper, we propose some single-pass randomized QLP decomposition algorithms for computing the…

Numerical Analysis · Mathematics 2020-11-30 Huan Ren , Zheng-Jian Bai

This note shows how to compute, to high relative accuracy under mild assumptions, complex Jacobi rotations for diagonalization of Hermitian matrices of order two, using the correctly rounded functions $\mathtt{cr\_hypot}$ and…

Numerical Analysis · Mathematics 2024-05-21 Vedran Novaković

This paper presents a method for the accurate and efficient computations on scalar, vector and tensor fields in three-dimensional spherical polar coordinates. The methods uses spin-weighted spherical harmonics in the angular directions and…

Numerical Analysis · Mathematics 2018-04-30 Geoff Vasil , Daniel Lecoanet , Keaton Burns , Jeff Oishi , Ben Brown

Spectral clustering approaches have led to well-accepted algorithms for finding accurate clusters in a given dataset. However, their application to large-scale datasets has been hindered by computational complexity of eigenvalue…

Machine Learning · Computer Science 2016-03-17 Shahzad Bhatti , Carolyn Beck , Angelia Nedic

We propose a Jacobi-style distributed algorithm to solve convex, quadratically constrained quadratic programs (QCQPs), which arise from a broad range of applications. While small to medium-sized convex QCQPs can be solved efficiently by…

Optimization and Control · Mathematics 2021-10-15 Run Chen , Andrew L. Liu

Given a family of nearly commuting symmetric matrices, we consider the task of computing an orthogonal matrix that nearly diagonalizes every matrix in the family. In this paper, we propose and analyze randomized joint diagonalization (RJD)…

Numerical Analysis · Mathematics 2024-02-27 Haoze He , Daniel Kressner

Fractional calculus with respect to function $\psi$, also named as $\psi$-fractional calculus, generalizes the Hadamard and the Riemann-Liouville fractional calculi, which causes challenge in numerical treatment. In this paper we study…

Numerical Analysis · Mathematics 2023-12-29 Tinggang Zhao , Zhenyu Zhao , Changpin Li , Dongxia Li

Successive quadratic approximations, or second-order proximal methods, are useful for minimizing functions that are a sum of a smooth part and a convex, possibly nonsmooth part that promotes regularization. Most analyses of iteration…

Optimization and Control · Mathematics 2019-01-25 Ching-pei Lee , Stephen J. Wright

Computing electronic structures of quantum systems is a key task underpinning many applications in photonics, solid-state physics, and quantum technologies. This task is typically performed through iterative algorithms to find the energy…

Quantum Physics · Physics 2026-02-03 Shaobo Zhang , Akib Karim , Harry M. Quiney , Muhammad Usman

Matrix completion is a widely used technique for image inpainting and personalized recommender system, etc. In this work, we focus on accelerating the matrix completion using faster randomized singular value decomposition (rSVD). Firstly,…

Machine Learning · Computer Science 2018-10-17 Xu Feng , Wenjian Yu , Yaohang Li

In this paper, we propose a globally convergent Newton type method to solve $\ell_0$ regularized sparse optimization problem. In fact, a line search strategy is applied to the Newton method to obtain global convergence. The Jacobian matrix…

Optimization and Control · Mathematics 2025-11-26 Yuge Ye , Qingna Li

Power flow calculations for systems with a large number of buses, e.g. grids with multiple voltage levels, or time series based calculations result in a high computational effort. A common power flow solver for the efficient analysis of…

Computation · Statistics 2018-04-19 Florian Schäfer , Martin Braun

Recent developments in optimization theory have extended some traditional algorithms for least-squares optimization of real-valued functions (Gauss-Newton, Levenberg-Marquardt, etc.) into the domain of complex functions of a complex…

Instrumentation and Methods for Astrophysics · Physics 2015-02-27 Oleg Smirnov , Cyril Tasse

We discuss the close connection between eigenvalue computation and optimization using the Newton method and subspace methods. From the connection we derive a new class of Newton updates. The new update formulation is similar to the…

Numerical Analysis · Mathematics 2025-10-20 Yunkai Zhou

In this paper we propose an efficiently preconditioned Newton method for the computation of the leftmost eigenpairs of large and sparse symmetric positive definite matrices. A sequence of preconditioners based on the BFGS update formula is…

Numerical Analysis · Mathematics 2013-12-06 Luca Bergamaschi , Angeles Martinez

Iterative methods with certified convergence for the computation of Gauss--Jacobi quadratures are described. The methods do not require a priori estimations of the nodes to guarantee its fourth-order convergence. They are shown to be…

Numerical Analysis · Mathematics 2020-08-24 A. Gil , J. Segura , N. M. Temme

We exploit the truncated singular value decomposition and the recently proposed circulant decomposition for an efficient first-order approximation of the multiplication of large dense matrices. A decomposition of each matrix into a sum of a…

Numerical Analysis · Mathematics 2026-04-27 Suvendu Kar , Hariprasad M. , Sai Gowri J. N. , Murugesan Venkatapathi