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Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…

Statistical Mechanics · Physics 2022-12-19 Jérôme Hénin , Tony Lelièvre , Michael R. Shirts , Omar Valsson , Lucie Delemotte

We propose a new approach to simulate hypothetical physics processes which are defined by multiple free parameters. Compared to the conventional grid-scan approach, the new method can produce accurate estimations of the detector acceptance…

High Energy Physics - Experiment · Physics 2012-06-01 Jiahang Zhong , Run-Sheng Huang , Shih-Chang Lee

We propose a general, modular method for significance testing of groups (or clusters) of variables in a high-dimensional linear model. In presence of high correlations among the covariables, due to serious problems of identifiability, it is…

Statistics Theory · Mathematics 2015-02-12 Jacopo Mandozzi , Peter Bühlmann

We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular…

Biological Physics · Physics 2009-08-05 Wenfei Li , Shoji Takada

Naive approaches to amortized inference in probabilistic programs with unbounded loops can produce estimators with infinite variance. This is particularly true of importance sampling inference in programs that explicitly include rejection…

A determinantal point process is a stochastic point process that is commonly used to capture negative correlations. It has become increasingly popular in machine learning in recent years. Sampling a determinantal point process however…

Numerical Analysis · Mathematics 2020-09-02 Lexing Ying

Products between phase-type distributed random variables and any independent, positive and continuous random variable are studied. Their asymptotic properties are established, and an expectation-maximization algorithm for their effective…

Probability · Mathematics 2021-11-25 Hansjoerg Albrecher , Martin Bladt , Mogens Bladt , Jorge Yslas

A Gaussian fluctuation formula is proved for linear statistics of complex random matrices in the case that the statistic is rotationally invariant. For a general linear statistic without this symmetry, Coulomb gas theory is used to predict…

Statistical Mechanics · Physics 2007-05-23 P. J. Forrester

Rapidly decreasing tempered stable distributions are useful models for financial applications. However, there has been no exact method for simulation available in the literature. We remedy this by introducing an exact simulation method in…

Probability · Mathematics 2021-02-09 Michael Grabchak

We test for departures from normal and independent and identically distributed (NIID) returns, when returns under the alternative hypothesis are self-affine. Self-affine returns are either fractionally integrated and long-range dependent,…

Statistical Finance · Quantitative Finance 2014-01-29 John Goddard , Enrico Onali

Partial Rejection Sampling is an algorithmic approach to obtaining a perfect sample from a specified distribution. The objects to be sampled are assumed to be represented by a number of random variables. In contrast to classical rejection…

Data Structures and Algorithms · Computer Science 2024-09-18 Mark Jerrum

In the simplified setting of the Schwinger model we present a systematic study on the simulation of dynamical fermions by global accept/reject steps that take into account the fermion determinant. A family of exact algorithms is developed,…

High Energy Physics - Lattice · Physics 2008-11-26 Francesco Knechtli , Ulli Wolff

We extend the idea of tempering stable Levy processes to tempering more general classes of Levy processes. We show that the original process can be decomposed into the sum of the tempered process and an independent point process of large…

Probability · Mathematics 2020-01-22 Michael Grabchak

Coupling from the past (CFTP) methods have been used to generate perfect samples from finite Gibbs hard-sphere models, an important class of spatial point processes, which is a set of spheres with the centers on a bounded region that are…

Probability · Mathematics 2021-03-05 S. B. Moka , S. Juneja , M. R. H. Mandjes

Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of…

Statistical Mechanics · Physics 2016-08-31 Jiwen Liu , Erik Luijten

We present a simple stochastic algorithm for generating multiplicative processes with multiscaling both in space and in time. With this algorithm we are able to reproduce a synthetic signal with the same space and time correlation as the…

Chaotic Dynamics · Physics 2007-05-23 Roberto Benzi , Luca Biferale , Federico Toschi

The system-level dynamics of multivalent biomolecular interactions can be simulated using a rule-based kinetic Monte Carlo method in which a rejection sampling strategy is used to generate reaction events. This method becomes inefficient…

Quantitative Methods · Quantitative Biology 2010-03-04 Jin Yang , William S. Hlavacek

A general theory is developed to study individual based models which are discrete in time. We begin by constructing a Markov chain model that converges to a one-dimensional map in the infinite population limit. Stochastic fluctuations are…

Statistical Mechanics · Physics 2014-06-03 Joseph D. Challenger , Duccio Fanelli , Alan J. McKane

Sampling is a fundamental technique, and sampling without replacement is often desirable when duplicate samples are not beneficial. Within machine learning, sampling is useful for generating diverse outputs from a trained model. We present…

Machine Learning · Computer Science 2021-07-21 Kensen Shi , David Bieber , Charles Sutton