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Random batch algorithms are constructed for quantum Monte Carlo simulations. The main objective is to alleviate the computational cost associated with the calculations of two-body interactions, including the pairwise interactions in the…

Computational Physics · Physics 2020-09-01 Shi Jin , Xiantao Li

The forward-backward operator splitting algorithm is one of the most important methods for solving the optimization problem of the sum of two convex functions, where one is differentiable with a Lipschitz continuous gradient and the other…

Optimization and Control · Mathematics 2019-08-30 Yu-Chao Tang , Guo-Rong Wu , Chuan-Xi Zhu

The reduction of a large number of scalar integrals to a small set of master integrals via Laporta's algorithm is common practice in multi-loop calculations. It is also a major bottleneck in terms of running time and memory consumption. It…

High Energy Physics - Phenomenology · Physics 2015-06-17 Philipp Kant

Current uncertainty quantification is memory and compute expensive, which hinders practical uptake. To counter, we develop Sketched Lanczos Uncertainty (SLU): an architecture-agnostic uncertainty score that can be applied to pre-trained…

Numerical Analysis · Mathematics 2024-10-28 Marco Miani , Lorenzo Beretta , Søren Hauberg

A new procedure is constructed by means of APS in APLAN language. The procedure solves the initial-value problem for linear differential equations of order $k$ with polynomial coefficients and regular singularity in the initialization point…

Numerical Analysis · Mathematics 2007-05-23 P. N. Denisenko

Recently, in-memory analog matrix computing (AMC) with nonvolatile resistive memory has been developed for solving matrix problems in one step, e.g., matrix inversion of solving linear systems. However, the analog nature sets up a barrier…

Hardware Architecture · Computer Science 2024-01-19 Lunshuai Pan , Pushen Zuo , Yubiao Luo , Zhong Sun , Ru Huang

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

Since being analyzed by Rokhlin, Szlam, and Tygert and popularized by Halko, Martinsson, and Tropp, randomized Simultaneous Power Iteration has become the method of choice for approximate singular value decomposition. It is more accurate…

Data Structures and Algorithms · Computer Science 2015-11-02 Cameron Musco , Christopher Musco

The growing availability and usage of low precision foating point formats has attracts many interests of developing lower or mixed precision algorithms for scientific computing problems. In this paper we investigate the possibility of…

Numerical Analysis · Mathematics 2024-02-14 Haibo Li

The performance of eigenvalue problem solvers (eigensolvers) depends on various factors such as preconditioning and eigenvalue distribution. Developing stable and rapidly converging vectorwise eigensolvers is a crucial step in improving the…

Numerical Analysis · Mathematics 2026-01-09 Ming Zhou , Klaus Neymeyr

To conduct a more in-depth investigation of randomized solvers for solving linear systems, we adopt a unified randomized batch-sampling Kaczmarz framework with per-iteration costs as low as cyclic block methods, and develop a general…

Numerical Analysis · Mathematics 2026-04-21 Dong-Yue Xie , Xi Yang

With the emergence of Artificial Intelligence, numerical algorithms are moving towards more approximate approaches. For methods such as PCA or diffusion maps, it is necessary to compute eigenvalues of a large matrix, which may also be dense…

Numerical Analysis · Mathematics 2023-11-17 Keerthi Gaddameedi , Severin Reiz , Tobias Neckel , Hans-Joachim Bungartz

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

We present a comparative study of the application of modern eigenvalue algorithms to an eigenvalue problem arising in quantum physics, namely, the computation of a few interior eigenvalues and their associated eigenvectors for the large,…

Computational Physics · Physics 2020-05-04 U. Elsner , V. Mehrmann , F. Milde , R. A. Roemer , M. Schreiber

The growth of big data in domains such as Earth Sciences, Social Networks, Physical Sciences, etc. has lead to an immense need for efficient and scalable linear algebra operations, e.g. Matrix inversion. Existing methods for efficient and…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-16 Chandan Misra , Sourangshu Bhattacharya , Soumya K. Ghosh

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

Block projections have been used, in [Eberly et al. 2006], to obtain an efficient algorithm to find solutions for sparse systems of linear equations. A bound of softO(n^(2.5)) machine operations is obtained assuming that the input matrix…

Symbolic Computation · Computer Science 2025-10-20 Wayne Eberly , Mark Giesbrecht , Pascal Giorgi , Arne Storjohann , Gilles Villard

In spectral clustering, one defines a similarity matrix for a collection of data points, transforms the matrix to get the Laplacian matrix, finds the eigenvectors of the Laplacian matrix, and obtains a partition of the data using the…

Machine Learning · Computer Science 2012-10-19 Leonard K. M. Poon , April H. Liu , Tengfei Liu , Nevin Lianwen Zhang

Monte Carlo simulations of quantum field theories on a lattice become increasingly expensive as the continuum limit is approached since the cost per independent sample grows with a high power of the inverse lattice spacing. Simulations on…

High Energy Physics - Lattice · Physics 2021-01-04 Karl Jansen , Eike Hermann Müller , Robert Scheichl

We introduce BLOC (Black-box Optimization over Correlation matrices), a general framework for sparse covariance estimation with non-convex penalties. BLOC operates on the manifold of correlation matrices and reparameterizes it via an…

Methodology · Statistics 2026-04-01 Priyam Das , Trambak Banerjee , Prajamitra Bhuyan