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We introduce a new approach for estimating the number of spikes in a general class of spiked covariance models without directly computing the eigenvalues of the sample covariance matrix. This approach is based on the Lanczos algorithm and…

Statistics Theory · Mathematics 2025-12-30 Charbel Abi Younes , Xiucai Ding , Thomas Trogdon

The recursion method, which solves coupled Heisenberg equations in a Lanczos operator basis, has recently emerged as a powerful nonperturbative tool for computing dynamical correlation functions in strongly correlated two- and…

Strongly Correlated Electrons · Physics 2026-04-29 Ilya Shirokov , Viacheslav Khrushchev , Filipp Uskov , Ivan Dudinets , Igor Ermakov , Oleg Lychkovskiy

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based…

Numerical Analysis · Mathematics 2023-05-26 Abdullah Alperen , Metin Aktulga , Pieter Maris , Chao Yang

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

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

We extend the error bounds from [SIMAX, Vol. 43, Iss. 2, pp. 787-811 (2022)] for the Lanczos method for matrix function approximation to the block algorithm. Numerical experiments suggest that our bounds are fairly robust to changing block…

Numerical Analysis · Mathematics 2024-04-16 Qichen Xu , Tyler Chen

We introduce a new implementation of time-dependent density-functional theory which allows the \emph{entire} spectrum of a molecule or extended system to be computed with a numerical effort comparable to that of a \emph{single} standard…

Materials Science · Physics 2009-11-13 Dario Rocca , Ralph Gebauer , Yousef Saad , Stefano Baroni

The Quantum Lattice Boltzmann Method (QLBM) is one of the most promising approaches for realizing the potential of quantum computing in simulating computational fluid dynamics. Many recent works mostly focus on classical simulation, and…

Quantum Physics · Physics 2025-04-23 Apurva Tiwari , Jason Iaconis , Jezer Jojo , Sayonee Ray , Martin Roetteler , Chris Hill , Jay Pathak

Energy-dependent sum rules are useful tools in many fields of physics. In nuclear physics, they typically involve an integration of the response function over the nuclear spectrum with a weight function composed of integer powers of the…

Nuclear Theory · Physics 2014-06-30 Nir Nevo Dinur , Chen Ji , Sonia Bacca , Nir Barnea

A state-preserving quantum counting algorithm is used to obtain coefficients of a Lanczos recursion from a single ground state wavefunction on the quantum computer. This is used to compute the continued fraction representation of an…

Quantum Physics · Physics 2021-03-10 Thomas E. Baker

The Lanczos method is one of the standard approaches for computing a few eigenpairs of a large, sparse, symmetric matrix. It is typically used with restarting to avoid unbounded growth of memory and computational requirements. Thick-restart…

Numerical Analysis · Mathematics 2019-11-12 Lingfei Wu , Fei Xue , Andreas Stathopoulos

We present a modified Lanczos algorithm to diagonalize lattice Hamiltonians with dramatically reduced memory requirements, {\em without restricting to variational ansatzes}. The lattice of size $N$ is partitioned into two subclusters. At…

Strongly Correlated Electrons · Physics 2011-11-11 Marvin Weinstein , Assa Auerbach , V. Ravi Chandra

We present algorithmic improvements for fast and memory-efficient use of discrete spatial symmetries in Exact Diagonalization computations of quantum many-body systems. These techniques allow us to work flexibly in the reduced basis of…

Strongly Correlated Electrons · Physics 2018-10-05 Alexander Wietek , Andreas M. Läuchli

A common approach to approximating quadratic forms of matrix functions is to use a quadrature rule derived from the Lanczos process, known as a Lanczos quadrature. Although symmetric quadrature rules are computationally favorable, it has…

Numerical Analysis · Mathematics 2026-01-30 Wenhao Li , Shengxin Zhu

We introduce a new algorithm for finding the eigenvalues and eigenvectors of Hermitian matrices within a specified region, based upon the LANSO algorithm of Parlett and Scott. It uses selective reorthogonalization to avoid the duplication…

High Energy Physics - Lattice · Physics 2015-06-12 Chris Johnson , A. D. Kennedy

A variational analysis is performed within the framework of lattice QCD to extract the masses of the spin-3/2 positive parity $ \Delta^+ $ baryons, including radial excitations. $2+1$ flavour dynamical gauge-field configurations provided by…

High Energy Physics - Lattice · Physics 2023-07-05 Liam Hockley , Waseem Kamleh , Derek Leinweber , Anthony Thomas

The runtime for Kernel Partial Least Squares (KPLS) to compute the fit is quadratic in the number of examples. However, the necessity of obtaining sensitivity measures as degrees of freedom for model selection or confidence intervals for…

Machine Learning · Statistics 2010-08-13 Nicole Kraemer , Masashi Sugiyama , Mikio Braun

We suggest a method to compute approximations to temporal correlation functions of few-body observables in chaotic many-body systems in the thermodynamic limit based on the respective Lanczos coefficients. Given the knowledge of these…

Statistical Mechanics · Physics 2025-12-18 Merlin Füllgraf , Jiaozi Wang , Robin Steinigeweg , Jochen Gemmer

The study of excited hadron spectra using Lattice QCD is currently evolving. An important step toward obtaining resonance parameters from Lattice QCD is the calculation of finite volume energy spectra. Somewhat more rigorous studies of…

High Energy Physics - Lattice · Physics 2011-12-07 John Bulava

We analyze the Lanczos method for matrix function approximation (Lanczos-FA), an iterative algorithm for computing $f(\mathbf{A}) \mathbf{b}$ when $\mathbf{A}$ is a Hermitian matrix and $\mathbf{b}$ is a given vector. Assuming that $f :…

Numerical Analysis · Mathematics 2022-05-19 Tyler Chen , Anne Greenbaum , Cameron Musco , Christopher Musco