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We study the problem of estimating the trace of a matrix $A$ that can only be accessed through matrix-vector multiplication. We introduce a new randomized algorithm, Hutch++, which computes a $(1 \pm \epsilon)$ approximation to $tr(A)$ for…

Data Structures and Algorithms · Computer Science 2021-06-14 Raphael A. Meyer , Cameron Musco , Christopher Musco , David P. Woodruff

Hutchinson's estimator is a randomized algorithm that computes an $\epsilon$-approximation to the trace of any positive semidefinite matrix using $\mathcal{O}(1/\epsilon^2)$ matrix-vector products. An improvement of Hutchinson's estimator,…

Numerical Analysis · Mathematics 2024-09-26 Jennifer Zvonek , Andrew Horning , Alex Townsend

Matrix trace estimation is ubiquitous in machine learning applications and has traditionally relied on Hutchinson's method, which requires $O(\log(1/\delta)/\epsilon^2)$ matrix-vector product queries to achieve a $(1 \pm…

Data Structures and Algorithms · Computer Science 2021-11-02 Shuli Jiang , Hai Pham , David P. Woodruff , Qiuyi , Zhang

Hutchinson estimators are widely employed in training divergence-based likelihoods for diffusion models to ensure optimal transport (OT) properties. However, this estimator often suffers from high variance and scalability concerns. To…

Machine Learning · Computer Science 2025-02-27 Xinyang Liu , Hengrong Du , Wei Deng , Ruqi Zhang

Stochastic trace estimation is a well-established tool for approximating the trace of a large symmetric matrix $\boldsymbol{B}$. Several applications involve a matrix that depends continuously on a parameter $t \in [a,b]$, and require trace…

Numerical Analysis · Mathematics 2026-02-23 Fabio Matti , Haoze He , Daniel Kressner , Hei Yin Lam

Stochastic orbital techniques offer reduced computational scaling and memory requirements to describe ground and excited states at the cost of introducing controlled statistical errors. Such techniques often rely on two basic operations,…

Chemical Physics · Physics 2024-04-22 Leopoldo Mejía , Sandeep Sharma , Roi Baer , Garnet Kin-Lic Chan , Eran Rabani

Hutchinson's method estimates the trace of a matrix function $f(D)$ stochastically using samples $\tau^Hf(D)\tau$, where the components of the random vectors $\tau$ obey an isotropic probability distribution. Estimating the trace of the…

High Energy Physics - Lattice · Physics 2023-03-22 Andreas Frommer , Mostafa Nasr Khalil

We present a new trace estimator of the matrix whose explicit form is not given but its matrix multiplication to a vector is available. The form of the estimator is similar to the Hutchison stochastic trace estimator, but instead of the…

Machine Learning · Statistics 2016-06-20 Boram Yoon

The implicit trace estimation problem asks for an approximation of the trace of a square matrix, accessed via matrix-vector products (matvecs). This paper designs new randomized algorithms, XTrace and XNysTrace, for the trace estimation…

Numerical Analysis · Mathematics 2024-01-09 Ethan N. Epperly , Joel A. Tropp , Robert J. Webber

Efficient matrix trace estimation is essential for scalable computation of log-determinants, matrix norms, and distributional divergences. In many large-scale applications, the matrices involved are too large to store or access in full,…

Numerical Analysis · Mathematics 2025-12-22 Kingsley Yeon , Promit Ghosal , Mihai Anitescu

We study the problem of estimating the trace of a matrix $\mathbf{A}$ that can only be accessed through Kronecker-matrix-vector products. That is, for any Kronecker-structured vector $\mathrm{x} = \otimes_{i=1}^k \mathrm{x}_i$, we can…

Data Structures and Algorithms · Computer Science 2025-02-03 Raphael A. Meyer , Haim Avron

This paper studies two potential modifications of XTrace (Epperly et al., SIMAX 45(1):1-23, 2024), a randomized algorithm for estimating the trace of a matrix. The first is a variance reduction step that averages the output of XTrace over…

Numerical Analysis · Mathematics 2025-12-03 Eric Hallman

Computation of the trace of a matrix function plays an important role in many scientific computing applications, including applications in machine learning, computational physics (e.g., lattice quantum chromodynamics), network analysis and…

Data Structures and Algorithms · Computer Science 2017-03-10 Insu Han , Dmitry Malioutov , Haim Avron , Jinwoo Shin

The Nystr\"om method is a convenient heuristic method to obtain low-rank approximations to kernel matrices in nearly linear complexity. Existing studies typically use the method to approximate positive semidefinite matrices with low or…

Numerical Analysis · Mathematics 2023-07-13 Jianlin Xia

Low rank matrix approximations appear in a number of scientific computing applications. We consider the Nystr\"{o}m method for approximating a positive semidefinite matrix $A$. In the case that $A$ is very large or its entries can only be…

Numerical Analysis · Mathematics 2023-07-24 Erin Carson , Ieva Daužickaitė

We examine the problem of estimating the trace of a matrix $A$ when given access to an oracle which computes $x^\dagger A x$ for an input vector $x$. We make use of the basis vectors from a set of mutually unbiased bases, widely studied in…

Numerical Analysis · Computer Science 2016-08-02 J. K. Fitzsimons , M. A. Osborne , S. J. Roberts , J. F. Fitzsimons

We present the analysis of two recently proposed noise reduction techniques, Hutch++ and XTrace, both based on inexact deflation. These methods were proven to have a better asymptotic convergence to the solution than the classical…

High Energy Physics - Lattice · Physics 2023-12-15 Alessandro Cotellucci , Agostino Patella

This article is concerned with Monte-Carlo methods for the estimation of the trace of an implicitly given matrix $A$ whose information is only available through matrix-vector products. Such a method approximates the trace by an average of…

Numerical Analysis · Computer Science 2014-08-20 Farbod Roosta-Khorasani , Uri Ascher

Second-order optimization methods are among the most widely used optimization approaches for convex optimization problems, and have recently been used to optimize non-convex optimization problems such as deep learning models. The widely…

Optimization and Control · Mathematics 2022-02-01 Dinesh Singh , Hardik Tankaria , Makoto Yamada

A classical result of Johnson and Lindenstrauss states that a set of $n$ high dimensional data points can be projected down to $O(\log n/\epsilon^2)$ dimensions such that the square of their pairwise distances is preserved up to a small…

Data Structures and Algorithms · Computer Science 2023-06-02 Aleksandros Sobczyk , Mathieu Luisier
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