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We present an efficient numerical method for computing Hamiltonian matrix elements between non-orthogonal Slater determinants, focusing on the most time-consuming component of the calculation that involves a sparse array. In the usual case…

Nuclear Theory · Physics 2012-10-22 Yutaka Utsuno , Noritaka Shimizu , Takaharu Otsuka , Takashi Abe

This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems where the determination of the entries of a matrix constitutes…

Chemical Physics · Physics 2014-10-21 Jacob N. Sanders , Xavier Andrade , Alán Aspuru-Guzik

In this work we explore the fidelity of numerical approximations to the analytic spectra of hyperbolic partial differential equation systems with variable coefficients. We are particularly interested in the ability of discrete methods to…

Numerical Analysis · Mathematics 2025-08-12 Brittany A. Erickson

Multidimensional population balance models (PBMs) describe chemical and biological processes having a distribution over two or more intrinsic properties (such as size and age, or two independent spatial variables). The incorporation of…

Computational Engineering, Finance, and Science · Computer Science 2025-04-29 Pavan Inguva , Richard D. Braatz

We present a new probabilistic algorithm that characterizes the equidimensional components of the affine algebraic variety defined by an arbitrary sparse polynomial system with prescribed supports. For each equidimensional component, the…

Algebraic Geometry · Mathematics 2026-01-19 Maria Isabel Herrero , Gabriela Jeronimo , Juan Sabia

In this work, we analyze a sublinear-time algorithm for selecting a few rows and columns of a matrix for low-rank approximation purposes. The algorithm is based on an initial uniformly random selection of rows and columns, followed by a…

Numerical Analysis · Mathematics 2024-02-22 Alice Cortinovis , Lexing Ying

In this paper, we develop regularized discrete least squares collocation and finite volume methods for solving two-dimensional nonlinear time-dependent partial differential equations on irregular domains. The solution is approximated using…

Numerical Analysis · Mathematics 2019-06-26 Fanhai Zeng , Ian Turner , Kevin Burrage , Stephen J. Wright

We present a finite element scheme for fractional diffusion problems with varying diffusivity and fractional order. We consider a symmetric integral form of these nonlocal equations defined on general geometries and in arbitrary bounded…

Numerical Analysis · Mathematics 2023-06-28 Wenyu Lei , George Turkiyyah , Omar Knio

In this letter, we propose an algorithm for learning a sparse weighted graph by estimating its adjacency matrix under the assumption that the observed signals vary smoothly over the nodes of the graph. The proposed algorithm is based on the…

Signal Processing · Electrical Eng. & Systems 2022-05-11 Ghania Fatima , Aakash Arora , Prabhu Babu , Petre Stoica

This paper describes Sparse Frequent Directions, a variant of Frequent Directions for sketching sparse matrices. It resembles the original algorithm in many ways: both receive the rows of an input matrix $A^{n \times d}$ one by one in the…

Data Structures and Algorithms · Computer Science 2016-02-18 Mina Ghashami , Edo Liberty , Jeff M. Phillips

Multiple kernel learning (MKL) aims to find an optimal, consistent kernel function. In the hierarchical multiple kernel clustering (HMKC) algorithm, sample features are extracted layer by layer from a high-dimensional space to maximize the…

Machine Learning · Computer Science 2024-10-29 Lei Wang , Liang Du , Peng Zhou

We study the problem of estimating the best B term Fourier representation for a given frequency-sparse signal (i.e., vector) $\textbf{A}$ of length $N \gg B$. More explicitly, we investigate how to deterministically identify B of the…

Discrete Mathematics · Computer Science 2007-08-10 M. A. Iwen

We derive streamlined mean field variational Bayes algorithms for fitting linear mixed models with crossed random effects. In the most general situation, where the dimensions of the crossed groups are arbitrarily large, streamlining is…

Methodology · Statistics 2022-04-15 Marianne Menictas , Gioia Di Credico , Matt P. Wand

Feature selection can facilitate the learning of mixtures of discrete random variables as they arise, e.g. in crowdsourcing tasks. Intuitively, not all workers are equally reliable but, if the less reliable ones could be eliminated, then…

Machine Learning · Statistics 2017-11-28 Vincent Zhao , Steven W. Zucker

We consider a polynomial reconstruction of smooth functions from their noisy values at discrete nodes on the unit sphere by a variant of the regularized least-squares method of An et al., SIAM J. Numer. Anal. 50 (2012), 1513--1534. As nodes…

Numerical Analysis · Mathematics 2015-01-12 Sergei. V. Pereverzyev , Ian. H. Sloan , Pavlo Tkachenko

In this paper, we further investigate and refine the subspace-constrained preconditioning technique to enhance the theoretical and numerical convergence properties of randomized iterative methods for solving linear systems. In particular,…

Numerical Analysis · Mathematics 2026-05-29 Yonghan Sun , Hou-Duo Qi , Deren Han , Jiaxin Xie

The problem of classification in machine learning has often been approached in terms of function approximation. In this paper, we propose an alternative approach for classification in arbitrary compact metric spaces which, in theory, yields…

Machine Learning · Computer Science 2026-03-26 H. N. Mhaskar , Ryan O'Dowd

We present a framework for speeding up the time it takes to sample from discrete distributions $\mu$ defined over subsets of size $k$ of a ground set of $n$ elements, in the regime $k\ll n$. We show that having estimates of marginals…

Data Structures and Algorithms · Computer Science 2021-09-16 Nima Anari , Michał Dereziński , Thuy-Duong Vuong , Elizabeth Yang

The sparse difference resultant introduced in \citep{gao-2015} is a basic concept in difference elimination theory. In this paper, we show that the sparse difference resultant of a generic Laurent transformally essential system can be…

Symbolic Computation · Computer Science 2021-04-21 Chun-Ming Yuan , Zhi-Yong Zhang

We present new techniques for reducing a multivariate sparse polynomial to a univariate polynomial. The reduction works similarly to the classical and widely-used Kronecker substitution, except that we choose the degrees randomly based on…

Symbolic Computation · Computer Science 2014-05-05 Andrew Arnold , Daniel S. Roche