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This paper discusses the irreducibility and geometric ergodicity of the Hamiltonian Monte Carlo (HMC) algorithm. We consider cases where the number of steps of the symplectic integrator is either fixed or random. Under mild conditions on…

Computation · Statistics 2019-05-14 Alain Durmus , Eric Moulines , Eero Saksman

Random Walk Metropolis Hastings (RWMH) algorithm, is quite inefficient in high dimensions because of its abysmally slow acceptance rate. The slow acceptance rate results from the fact that RWMH separately updates each coordinate of the…

Methodology · Statistics 2014-08-29 Kushal K. Dey , Sourabh Bhattacharya

We report first calculations of the topological susceptibility measured using the field theoretic method on SU(3) gauge configurations produced by the UKQCD collaboration with two flavours of dynamical, improved, Wilson fermions. Using…

High Energy Physics - Lattice · Physics 2015-06-25 A. Hart , M. Teper

We analyze Riemannian Hamiltonian Monte Carlo (RHMC) for sampling a polytope defined by $m$ inequalities in $\R^n$ endowed with the metric defined by the Hessian of a convex barrier function. The advantage of RHMC over Euclidean methods…

Data Structures and Algorithms · Computer Science 2023-04-20 Khashayar Gatmiry , Jonathan Kelner , Santosh S. Vempala

Various Markov chain Monte Carlo (MCMC) methods are studied to improve upon random walk Metropolis sampling, for simulation from complex distributions. Examples include Metropolis-adjusted Langevin algorithms, Hamiltonian Monte Carlo, and…

Computation · Statistics 2020-05-19 Zexi Song , Zhiqiang Tan

We present a modification of the Hybrid Monte Carlo algorithm for tackling the critical slowing down of generating Markov chains of lattice gauge configurations towards the continuum limit. We propose a new method to exchange information…

High Energy Physics - Lattice · Physics 2019-04-24 Xiao-Yong Jin , James C. Osborn

Sequential Monte Carlo (SMC) methods are a widely used set of computational tools for inference in non-linear non-Gaussian state-space models. We propose a new SMC algorithm to compute the expectation of additive functionals recursively.…

Methodology · Statistics 2010-12-27 Pierre Del Moral , Arnaud Doucet , Sumeetpal Singh

Hamiltonian Monte Carlo (HMC) and its dynamic extensions, such as the No-U-Turn Sampler (NUTS), are powerful Markov chain Monte Carlo methods for sampling from complex, high-dimensional probability distributions. Riemannian manifold…

Computation · Statistics 2026-04-16 Miika Kailas , Matti Vihola , Jonas Wallin

By leveraging the natural geometry of a smooth probabilistic system, Hamiltonian Monte Carlo yields computationally efficient Markov Chain Monte Carlo estimation. At least provided that the algorithm is sufficiently well-tuned. In this…

Methodology · Statistics 2016-01-05 Michael Betancourt

Hamiltonian Monte Carlo (HMC) and related algorithms have become routinely used in Bayesian computation. In this article, we present a simple and provably accurate method to improve the efficiency of HMC and related algorithms with…

Computation · Statistics 2020-03-10 Akihiko Nishimura , David Dunson

Hamiltonian Monte Carlo (HMC) is a premier Markov Chain Monte Carlo (MCMC) algorithm for continuous target distributions. Its full potential can only be unleashed when its problem-dependent hyperparameters are tuned well. The adaptation of…

Computation · Statistics 2022-05-10 Pavel Sountsov , Matt D. Hoffman

We propose a generic construction of Lie group agnostic and gauge covariant neural networks, and introduce constraints to make the neural networks continuous differentiable and invertible. We combine such neural networks and build gauge…

High Energy Physics - Lattice · Physics 2022-03-28 Xiao-Yong Jin

We perform dynamical QCD simulations with $n_f=2$ overlap fermions by hybrid Monte-Carlo method on $6^4$ to $8^3\times 16$ lattices. We study the problem of topological sector changing. A new method is proposed which works without…

High Energy Physics - Lattice · Physics 2009-11-11 G. I. Egri , Z. Fodor , S. D. Katz , K. K. Szabo

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker--Campbell--Hausdorff expansion of the similarity transformed Hamiltonian by construction of coupled cluster…

Chemical Physics · Physics 2019-06-19 Charles J. C. Scott , Roberto Di Remigio , T. Daniel Crawford , Alex J. W. Thom

Hamiltonian Monte Carlo is a prominent Markov Chain Monte Carlo algorithm, which employs symplectic integrators to sample from high dimensional target distributions in many applications, such as statistical mechanics, Bayesian statistics…

Numerical Analysis · Mathematics 2025-02-13 Geoffrey McGregor , Andy T. S. Wan

Monte Carlo methods represent a cornerstone of computer science. They allow to sample high dimensional distribution functions in an efficient way. In this paper we consider the extension of Automatic Differentiation (AD) techniques to Monte…

High Energy Physics - Lattice · Physics 2023-07-31 Guilherme Catumba , Alberto Ramos , Bryan Zaldivar

Monte Carlo integration is a powerful tool for scientific and statistical computation, but faces significant challenges when the integrand is a multi-modal distribution, even when the mode locations are known. This work introduces novel…

Methodology · Statistics 2025-03-11 Fei Ding , Shiyuan He , David E. Jones , Xiao-Li Meng

Hamiltonian Monte Carlo (HMC) exploits Hamiltonian dynamics to construct efficient proposals for Markov chain Monte Carlo (MCMC). In this paper, we present a generalization of HMC which exploits \textit{non-canonical} Hamiltonian dynamics.…

Machine Learning · Statistics 2017-08-22 Nilesh Tripuraneni , Mark Rowland , Zoubin Ghahramani , Richard Turner

We introduced the Hug and Hop Markov chain Monte Carlo algorithm for estimating expectations with respect to an intractable distribution. The algorithm alternates between two kernels: Hug and Hop. Hug is a non-reversible kernel that…

Computation · Statistics 2022-04-26 Matthew Ludkin , Chris Sherlock

We present computer simulations of a dynamic Monte Carlo algorithm for polymer chains on the FCC lattice which takes explicitly into account the possibility to overcome topological constraints by controlling the rate at which nearby polymer…

Soft Condensed Matter · Physics 2021-12-01 Mattia Alberto Ubertini , Angelo Rosa