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Hamiltonian Monte Carlo (HMC) is an efficient method of simulating smooth distributions and has motivated the widely used No-U-turn Sampler (NUTS) and software Stan. We build on NUTS and the technique of "unbiased sampling" to design HMC…

Computation · Statistics 2022-12-26 George M. Leigh , Amanda R. Northrop

Traditional Markov Chain Monte Carlo methods suffer from low acceptance rate, slow mixing and low efficiency in high dimensions. Hamiltonian Monte Carlo resolves this issue by avoiding the random walk. Hamiltonian Monte Carlo (HMC) is a…

Astrophysics · Physics 2008-11-26 Amir Hajian

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is a reliable and versatile algorithm for addressing the numerical sign problem. It resolves the ergodicity issues commonly encountered in Lefschetz thimble-based…

High Energy Physics - Lattice · Physics 2026-03-31 Masafumi Fukuma

We introduce a dynamical fermion algorithm which is based on the hybrid Monte Carlo (HMC) algorithm, but without pseudofermions. The molecular dynamics steps in HMC are retained except the derivatives with respect to the gauge fields are…

High Energy Physics - Lattice · Physics 2009-10-28 K. F. Liu , S. J. Dong , C. Thron

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to…

High Energy Physics - Lattice · Physics 2021-05-10 Sam Foreman , Xiao-Yong Jin , James C. Osborn

The investigation of the decorrelation efficiency of the HMC algorithm with respect to vacuum topology is a prerequisite for trustworthy full QCD simulations, in particular for the computation of topology sensitive quantities. We…

High Energy Physics - Lattice · Physics 2008-11-26 Th. Lippert , B. Alles , G. Bali , M. D'Elia , A. Di Giacomo , N. Eicker , S. Guesken , K. Schilling , A. Spitz , T. Struckmann , P. Ueberholz , J. Viehoff

The hybrid Monte Carlo (HMC) algorithm is a ubiquitous method in computational physics with applications ranging from condensed matter to lattice QCD and beyond. However, HMC simulations often suffer from long autocorrelation times,…

High Energy Physics - Lattice · Physics 2025-05-07 Johann Ostmeyer , Pavel Buividovich

Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm to sample from an unnormalized probability distribution. A leapfrog integrator is commonly used to implement HMC in practice, but its performance can be…

Computation · Statistics 2021-10-28 Marcel Hirt , Michalis K. Titsias , Petros Dellaportas

Hamiltonian Monte Carlo (HMC) is a popular sampling method in Bayesian inference. Recently, Heng & Jacob (2019) studied Metropolis HMC with couplings for unbiased Monte Carlo estimation, establishing a generic parallelizable scheme for HMC.…

Methodology · Statistics 2021-04-13 Kai Xu , Tor Erlend Fjelde , Charles Sutton , Hong Ge

Existing rigorous convergence guarantees for the Hamiltonian Monte Carlo (HMC) algorithm use Gaussian auxiliary momentum variables, which are crucially symmetrically distributed. We present a novel convergence analysis for HMC utilizing new…

Machine Learning · Statistics 2026-05-12 Soumyadip Ghosh , Yingdong Lu , Tomasz Nowicki

Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) algorithm that avoids the random walk behavior and sensitivity to correlated parameters that plague many MCMC methods by taking a series of steps informed by first-order…

Computation · Statistics 2015-03-19 Matthew D. Hoffman , Andrew Gelman

The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. We show that performance of HMC can be significantly improved by incorporating importance sampling and an irreversible…

Computation · Statistics 2019-07-26 Tijana Radivojević , Elena Akhmatskaya

We study Hamiltonian Monte Carlo (HMC) samplers based on splitting the Hamiltonian $H$ as $H_0(\theta,p)+U_1(\theta)$, where $H_0$ is quadratic and $U_1$ small. We show that, in general, such samplers suffer from stepsize stability…

Computation · Statistics 2022-07-18 Fernando Casas , Jesús María Sanz-Serna , Luke Shaw

The Ising model is a simple statistical model for ferromagnetism. There are analytic solutions for low dimensions and very efficient Monte Carlo methods, such as cluster algorithms, for simulating this model in special cases. However most…

Computational Physics · Physics 2021-08-25 Johann Ostmeyer , Evan Berkowitz , Thomas Luu , Marcus Petschlies , Ferenc Pittler

We derive non-asymptotic quantitative bounds for convergence to equilibrium of the exact preconditioned Hamiltonian Monte Carlo algorithm (pHMC) on a Hilbert space. As a consequence, explicit and dimension-free bounds for pHMC applied to…

Probability · Mathematics 2021-02-26 Nawaf Bou-Rabee , Andreas Eberle

We propose a new framework for Hamiltonian Monte Carlo (HMC) on truncated probability distributions with smooth underlying density functions. Traditional HMC requires computing the gradient of potential function associated with the target…

Machine Learning · Statistics 2017-09-12 Kexin Yi , Finale Doshi-Velez

We investigate the performance of the hybrid Monte Carlo algorithm, the standard algorithm used for lattice QCD simulations involving fermions, in updating non-trivial global topological structures. We find that the hybrid Monte Carlo…

High Energy Physics - Lattice · Physics 2016-08-15 B. Allés , G. Boyd , M. D'Elia , A. Di Giacomo , E. Vicari

We provide quantitative upper bounds on the total variation mixing time of the Markov chain corresponding to the unadjusted Hamiltonian Monte Carlo (uHMC) algorithm. For two general classes of models and fixed time discretization step size…

Probability · Mathematics 2022-10-13 Nawaf Bou-Rabee , Andreas Eberle

Hamiltonian Monte Carlo (HMC) is a popular Markov chain Monte Carlo (MCMC) algorithm that generates proposals for a Metropolis-Hastings algorithm by simulating the dynamics of a Hamiltonian system. However, HMC is sensitive to large time…

Machine Learning · Statistics 2016-09-15 Xiaoyu Lu , Valerio Perrone , Leonard Hasenclever , Yee Whye Teh , Sebastian J. Vollmer

The tempered Lefschetz thimble method (TLTM) is a parallel-tempering algorithm towards solving the numerical sign problem, where the system is tempered by the antiholomorphic gradient flow to tame both the sign and ergodicity problems…

High Energy Physics - Lattice · Physics 2020-02-14 Masafumi Fukuma , Nobuyuki Matsumoto , Naoya Umeda