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It is well known that conventional simulation algorithms are inefficient for the statistical description of macroscopic systems exactly at the critical point due to the divergence of the corresponding relaxation time (critical slowing…

Computational Physics · Physics 2008-11-26 N. G. Antoniou , F. K. Diakonos , E. N. Saridakis , G. A. Tsolias

Models and methods that are able to accurately and efficiently predict the flows of low-speed rarefied gases are in high demand, due to the increasing ability to manufacture devices at micro and nano scales. One such model and method is a…

Computational Physics · Physics 2016-09-21 Benjamin Collyer , Colm Connaughton , Duncan Lockerby

Generating high-quality random numbers with a Gaussian probability distribution function is an important and resource consuming computational task for many applications in the fields of machine learning and Monte Carlo algorithms. Recently,…

Emerging Technologies · Computer Science 2021-12-10 Punyashloka Debashis , Hai Li , Dmitri Nikonov , Ian Young

Probabilistic artificial neural networks offer intriguing prospects for enabling the uncertainty of artificial intelligence methods to be described explicitly in their function; however, the development of techniques that quantify…

Artificial Intelligence · Computer Science 2023-11-23 James B. Aimone , William Severa , J. Darby Smith

Sampling from unnormalized densities presents a fundamental challenge with wide-ranging applications, from posterior inference to molecular dynamics simulations. Continuous flow-based neural samplers offer a promising approach, learning a…

Machine Learning · Computer Science 2025-07-22 Wuhao Chen , Zijing Ou , Yingzhen Li

We present a quantum algorithm for efficiently sampling transformed Gaussian random fields on $d$-dimensional domains, based on an enhanced version of the classical moving average method. Pointwise transformations enforcing boundedness are…

Quantum Physics · Physics 2025-08-20 Matthias Deiml , Daniel Peterseim

The computational efficiency of stochastic simulation algorithms is notoriously limited by the kinetic trapping of the simulated trajectories within low energy basins. Here we present a new method that overcomes kinetic trapping while still…

Statistical Mechanics · Physics 2014-12-08 Manuel Athènes , Vasily V. Bulatov

Markov chain Monte Carlo (MCMC) algorithms are indispensable when sampling from a complex, high-dimensional distribution by a conventional method is intractable. Even though MCMC is a powerful tool, it is also hard to control and tune in…

Graphics · Computer Science 2025-10-14 Sascha Holl , Gurprit Singh , Hans-Peter Seidel

Sampling with Markov chain Monte Carlo methods often amounts to discretizing some continuous-time dynamics with numerical integration. In this paper, we establish the convergence rate of sampling algorithms obtained by discretizing smooth…

Machine Learning · Statistics 2020-02-04 Xuechen Li , Denny Wu , Lester Mackey , Murat A. Erdogdu

Stochastic Thermodynamics uses Markovian jump processes to model random transitions between observable mesoscopic states. Physical currents are obtained from anti-symmetric jump observables defined on the edges of the graph representing the…

Statistical Mechanics · Physics 2015-10-19 Artur Wachtel , Jürgen Vollmer , Bernhard Altaner

Training Deep Neural Networks (DNNs) can be computationally demanding, particularly when dealing with large models. Recent work has aimed to mitigate this computational challenge by introducing 8-bit floating-point (FP8) formats for…

Hardware Architecture · Computer Science 2024-09-27 Sami Ben Ali , Silviu-Ioan Filip , Olivier Sentieys

Random point patterns are ubiquitous in nature, and statistical models such as point processes, i.e., algorithms that generate stochastic collections of points, are commonly used to simulate and interpret them. We propose an application of…

Quantum Physics · Physics 2020-03-04 Soran Jahangiri , Juan Miguel Arrazola , Nicolás Quesada , Nathan Killoran

The Pseudo-Marginal (PM) algorithm is a popular Markov chain Monte Carlo (MCMC) method used to sample from a target distribution when its density is inaccessible, but can be estimated with a non-negative unbiased estimator. Its performance…

Computation · Statistics 2025-09-30 Sarra Abaoubida , Mylène Bédard , Florian Maire

The quest for improved sampling methods to solve statistical mechanics problems of physical and chemical interest proceeds with renewed efforts since the invention of the Metropolis algorithm, in 1953. In particular, the understanding of…

Quantum Physics · Physics 2021-08-27 Guglielmo Mazzola

We propose a new Monte Carlo method for efficiently sampling trajectories with fixed initial and final conditions in a system with discrete degrees of freedom. The method can be applied to any stochastic process with local interactions,…

Statistical Mechanics · Physics 2012-03-30 Thierry Mora , Aleksandra M. Walczak , Francesco Zamponi

To efficiently evaluate system reliability based on Monte Carlo simulation, importance sampling is used widely. The optimal importance sampling density was derived in 1950s for the deterministic simulation model, which maps an input to an…

Methodology · Statistics 2019-06-04 Quoc Dung Cao , Youngjun Choe

We formulate both Markov chain Monte Carlo (MCMC) sampling algorithms and basic statistical physics in terms of elementary symmetries. This perspective on sampling yields derivations of well-known MCMC algorithms and a new parallel…

Statistical Mechanics · Physics 2021-06-30 Steve Huntsman

The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…

Machine Learning · Computer Science 2026-02-12 Peter Holderrieth , Uriel Singer , Tommi Jaakkola , Ricky T. Q. Chen , Yaron Lipman , Brian Karrer

When engineering microscopic machines, increasing efficiency can often come at a price of reduced reliability due to the impact of stochastic fluctuations. Here we develop a general method for performing multi-objective optimisation of…

Quantum Physics · Physics 2021-01-04 Harry J. D. Miller , Mohammad Mehboudi

We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of sampled statepoints) needed to establish the phase boundary…

Computational Physics · Physics 2018-03-12 Chengyu Dai , Isaac R. Bruss , Sharon C. Glotzer