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Hamiltonian Monte Carlo has emerged as a standard tool for posterior computation. In this article, we present an extension that can efficiently explore target distributions with discontinuous densities. Our extension in particular enables…

Computation · Statistics 2020-06-09 Akihiko Nishimura , David Dunson , Jianfeng Lu

Geometric numerical integration has recently been exploited to design symplectic accelerated optimization algorithms by simulating the Lagrangian and Hamiltonian systems from the variational framework introduced in Wibisono et al. In this…

Optimization and Control · Mathematics 2023-05-19 Valentin Duruisseaux , Melvin Leok

Studying the propagation of uncertainties in a nonlinear dynamical system usually involves generating a set of samples in the stochastic parameter space and then repeated simulations with different sampled parameters. The main difficulty…

Numerical Analysis · Mathematics 2017-09-19 Nan Jiang , Michael Schneier

This paper studies a non-random-walk Markov Chain Monte Carlo method, namely the Hamiltonian Monte Carlo (HMC) method in the context of Subset Simulation used for structural reliability analysis. The HMC method relies on a deterministic…

Computation · Statistics 2018-04-20 Ziqi Wang , Marco Broccardo , Junho Song

Building upon Lagrangian mechanics on Wess's $q$-commutative spaces, we derive the $q$-deformed Hamiltonian dynamics as formulated by Lavagno et al. (2006). We then develop a computationally tractable scheme and propose a novel Hamiltonian…

Numerical Analysis · Mathematics 2026-03-03 Xiaomei Yang , Zhiliang Deng

Despite more than 40 years of research in condensed-matter physics, state-of-the-art approaches for simulating the radial distribution function (RDF) g(r) still rely on binning pair-separations into a histogram. Such methods suffer from…

Materials Science · Physics 2016-09-05 Thomas W. Rosch , Paul N. Patrone

We consider the problem of simulating a Gaussian vector X, conditional on the fact that each component of X belongs to a finite interval [a_i,b_i], or a semi-finite interval [a_i,+infty). In the one-dimensional case, we design a table-based…

Computation · Statistics 2012-01-31 Nicolas Chopin

The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation…

Quantum Physics · Physics 2020-04-21 Dominic W. Berry , Andrew M. Childs , Yuan Su , Xin Wang , Nathan Wiebe

The Hamiltonian Monte Carlo method generates samples by introducing a mechanical system that explores the target density. For distributions on manifolds it is not always simple to perform the mechanics as a result of the lack of global…

Computation · Statistics 2019-04-22 Alessandro Barp , Anthony Kennedy , Mark Girolami

We present a multiscale integrator for Hamiltonian systems with slowly varying quadratic stiff potentials that uses coarse timesteps (analogous to what the impulse method uses for constant quadratic stiff potentials). This method is based…

Numerical Analysis · Mathematics 2011-04-14 Molei Tao , Houman Owhadi , Jerrold E. Marsden

The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…

Statistical Mechanics · Physics 2007-05-23 Jian-Sheng Wang

Gauge theories establish the standard model of particle physics, and lattice gauge theory (LGT) calculations employing Markov Chain Monte Carlo (MCMC) methods have been pivotal in our understanding of fundamental interactions. The present…

In numerical relativity simulations with non-trivial matter configurations, one must solve the Hamiltonian and momentum constraints of the ADM formulation for the metric variables in the initial data. We introduce a new scheme based on the…

General Relativity and Quantum Cosmology · Physics 2023-03-15 Josu C. Aurrekoetxea , Katy Clough , Eugene A. Lim

Efficient sampling of two-dimensional statistical physics systems remains a central challenge in computational statistical physics. Traditional Markov chain Monte Carlo (MCMC) methods, including cluster algorithms, provide only partial…

Statistical Mechanics · Physics 2025-09-24 Tao Chen , Jingtong Zhang , Jing Liu , Youjin Deng , Pan Zhang

How heterogeneous multiscale methods (HMM) handle fluctuations acting on the slow variables in fast-slow systems is investigated. In particular, it is shown via analysis of central limit theorems (CLT) and large deviation principles (LDP)…

Probability · Mathematics 2016-01-12 David Kelly , Eric Vanden-Eijnden

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues…

Strongly Correlated Electrons · Physics 2026-05-15 Masafumi Fukuma , Yusuke Namekawa

Modeling the response of gamma detectors has long been a challenge within the nuclear community. Significant research has been conducted to digitally replicate instruments that can cost over $100,000 and are difficult to operate outside a…

Instrumentation and Detectors · Physics 2024-06-21 Matthew Niichel , Stylianos Chatzidakis

This article considers Hamiltonian mechanical systems with potential functions admitting jump discontinuities. The focus is on accurate and efficient numerical approximations of their solutions, which will be defined via the laws of…

Numerical Analysis · Mathematics 2022-01-05 Molei Tao , Shi Jin

We study statistical model checking of continuous-time stochastic hybrid systems. The challenge in applying statistical model checking to these systems is that one cannot simulate such systems exactly. We employ the multilevel Monte Carlo…

Systems and Control · Computer Science 2017-06-27 Sadegh Esmaeil Zadeh Soudjani , Rupak Majumdar , Tigran Nagapetyan

We consider the problem of sampling from posterior distributions for Bayesian models where some parameters are restricted to be orthogonal matrices. Such matrices are sometimes used in neural networks models for reasons of regularization…

Machine Learning · Statistics 2019-01-24 Viktor Yanush , Dmitry Kropotov