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We review the basic outline of the highly successful diffusion Monte Carlo technique commonly used in contexts ranging from electronic structure calculations to rare event simulation and data assimilation, and propose a new class of…

Numerical Analysis · Mathematics 2017-10-10 Lek-Heng Lim , Jonathan Weare

We propose a nonparametric procedure to test for changes in correlation matrices at an unknown point in time. The new test requires only mild assumptions on the serial dependence structure and has considerable power in finite samples. We…

Methodology · Statistics 2014-10-29 Dominik Wied

We consider $N\times N$ self-adjoint Gaussian random matrices defined by an arbitrary deterministic sparsity pattern with $d$ nonzero entries per row. We show that such random matrices exhibit a canonical localization-delocalization…

Probability · Mathematics 2024-01-03 Laura Shou , Ramon van Handel

The path tracing method generates incoherent rays by randomly sampling directions. This randomness makes it unsuitable for modern processor architectures that rely on coherence to achieve optimal performance. Many efforts have been made to…

Graphics · Computer Science 2023-10-12 Fengqi Liu , Zaonan Tan , Weilai Xiang , Chenhao Lu , Dan Li , Xu Gong , Yulong Shi , Songnan Shi , Qilong Kou , Bo Hu

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

A graph neural network transforms features in each vertex's neighborhood into a vector representation of the vertex. Afterward, each vertex's representation is used independently for predicting its label. This standard pipeline implicitly…

Machine Learning · Computer Science 2020-06-18 Junteng Jia , Austin R. Benson

This survey article describes a method for choosing uniformly at random from any finite set whose objects can be viewed as constituting a distributive lattice. The method is based on ideas of the author and David Wilson for using ``coupling…

Combinatorics · Mathematics 2007-05-23 James Propp

We propose a new method for clustering based on the local minimization of the \gamma-divergence, which we call the spontaneous clustering. The greatest advantage of the proposed method is that it automatically detects the number of clusters…

Methodology · Statistics 2013-05-01 Akifumi Notsu , Osamu Komori , Shinto Eguchi

Approximate random $k$-colouring of a graph $G$ is a well studied problem in computer science and statistical physics. It amounts to constructing a $k$-colouring of $G$ which is distributed close to {\em Gibbs distribution} in polynomial…

Discrete Mathematics · Computer Science 2016-09-21 Charilaos Efthymiou

Graphs are used in many disciplines to model the relationships that exist between objects in a complex discrete system. Researchers may wish to compare a network of interest to a "typical" graph from a family (or ensemble) of graphs which…

Combinatorics · Mathematics 2025-08-08 Catherine Greenhill

In recent years, several algorithms, which approximate matrix decomposition, have been developed. These algorithms are based on metric conservation features for linear spaces of random projection types. We show that an i.i.d sub-Gaussian…

Numerical Analysis · Mathematics 2016-02-11 Yariv Aizenbud , Amir Averbuch

This work introduces two new techniques for random number generation with any prescribed nonlinear distribution based on the k-vector methodology. The first approach is based on inverse transform sampling using the optimal k-vector to…

Data Structures and Algorithms · Computer Science 2020-04-07 David Arnas , Carl Leake , Daniele Mortari

Random graphs with prescribed degree sequences have been widely used as a model of complex networks. Comparing an observed network to an ensemble of such graphs allows one to detect deviations from randomness in network properties. Here we…

Statistical Mechanics · Physics 2007-05-23 R. Milo , N. Kashtan , S. Itzkovitz , M. E. J. Newman , U. Alon

Recently, the authors have proposed a new approach to the theory of random metrics, making an explicit link between probability measures on the space of metrics on a Kahler manifold and random matrix models. We consider simple examples of…

High Energy Physics - Theory · Physics 2012-04-26 Frank Ferrari , Semyon Klevtsov , Steve Zelditch

We develop a novel, fundamental and surprisingly simple randomized iterative method for solving consistent linear systems. Our method has six different but equivalent interpretations: sketch-and-project, constrain-and-approximate, random…

Numerical Analysis · Mathematics 2016-01-07 Robert M. Gower , Peter Richtárik

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

A novel method is proposed for detecting changes in the covariance structure of moderate dimensional time series. This non-linear test statistic has a number of useful properties. Most importantly, it is independent of the underlying…

Methodology · Statistics 2021-08-18 Sean Ryan , Rebecca Killick

In this paper we present a method for exact generation of multivariate samples with pre-specified marginal distributions and a given correlation matrix, based on a mixture of Fr\'echet-Hoeffding bounds and marginal products. The bivariate…

Probability · Mathematics 2013-03-18 Vanja Dukic , Nevena Maric

Fix $c\in (0,1)$ and let $\Gamma$ be a $\lfloor c n\rfloor$-regular digraph on $n$ vertices drawn uniformly at random. We prove that when $n$ is large, the (non-symmetric) adjacency matrix $M$ of $\Gamma$ is invertible with high…

Probability · Mathematics 2015-08-04 Nicholas A. Cook

We study the distribution of entries of a random permutation matrix under a "randomized basis," i.e., we conjugate the random permutation matrix by an independent random orthogonal matrix drawn from Haar measure. It is shown that under…

Probability · Mathematics 2019-05-08 Benjamin Tsou