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We discuss how the integrators used for the Hybrid Monte Carlo (HMC) algorithm not only approximately conserve some Hamiltonian $H$ but exactly conserve a nearby shadow Hamiltonian (\tilde H), and how the difference $\Delta H \equiv \tilde…

High Energy Physics - Lattice · Physics 2010-01-21 M. A. Clark , A. D. Kennedy , P. J. Silva

We show how the integrators used for the molecular dynamics step of the Hybrid Monte Carlo algorithm can be further improved. These integrators not only approximately conserve some Hamiltonian $H$ but conserve exactly a nearby shadow…

High Energy Physics - Lattice · Physics 2015-05-30 M. A. Clark , Bálint Joó , A. D. Kennedy , P. J. Silva

We present a practical strategy to optimize a set of Hybrid Monte Carlo parameters in simulations of QCD and QCD-like theories. We specialize to the case of mass-preconditioning, with multiple time-step Omelyan integrators. Starting from…

High Energy Physics - Lattice · Physics 2016-10-11 Andrea Bussone , Michele Della Morte , Vincent Drach , Martin Hansen , Ari Hietanen , Jarno Rantaharju , Claudio Pica

We show how to improve the molecular dynamics step of Hybrid Monte Carlo, both by tuning the integrator using Poisson brackets measurements and by the use of force gradient integrators. We present results for moderate lattice sizes.

High Energy Physics - Lattice · Physics 2011-03-31 M. A. Clark , Balint Joo , A. D. Kennedy , P. J. Silva

Numerical lattice gauge theory computations to generate gauge field configurations including the effects of dynamical fermions are usually carried out using algorithms that require the molecular dynamics evolution of gauge fields using…

High Energy Physics - Lattice · Physics 2015-06-11 A. D. Kennedy , P. J. Silva , M. A. Clark

We discuss how dynamical fermion computations may be made yet cheaper by using symplectic integrators that conserve energy much more accurately without decreasing the integration step size. We first explain why symplectic integrators…

High Energy Physics - Lattice · Physics 2008-11-26 M. A. Clark , A. D. Kennedy

We apply the UV-filtering preconditioner, previously used to improve the Multi-Boson algorithm, to the Polynomial Hybrid Monte Carlo (UV-PHMC) algorithm. The performance test for the algorithm is given for the plaquette gauge action and the…

High Energy Physics - Lattice · Physics 2012-08-27 CS Collaboration , K-I. Ishikawa , S. Aoki , T. Ishikawa , N. Ishizuka , K. Kanaya , Y. Kuramashi , M. Okawa , Y. Taniguchi , A. Ukawa , T. Yoshie

The pseudofermion action of the Hybrid Monte Carlo (HMC) algorithm for dynamical fermions is modified to directly incorporate Incomplete LU (ILU) factorisation. This reduces the stochastic noise and allows a larger molecular dynamics…

High Energy Physics - Lattice · Physics 2007-05-23 Mike Peardon

Variational inference lies at the core of many state-of-the-art algorithms. To improve the approximation of the posterior beyond parametric families, it was proposed to include MCMC steps into the variational lower bound. In this work we…

Machine Learning · Statistics 2016-09-28 Christopher Wolf , Maximilian Karl , Patrick van der Smagt

Markov chain Monte Carlo (MCMC) algorithms offer various strategies for sampling; the Hamiltonian Monte Carlo (HMC) family of samplers are MCMC algorithms which often exhibit improved mixing properties. The recently introduced magnetic HMC,…

Machine Learning · Statistics 2020-10-16 James A. Brofos , Roy R. Lederman

Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of MHMC algorithms lies…

We give a detailed description of the so-called Polynomial Hybrid Monte Carlo (PHMC) algorithm. The effects of the correction factor, which is introduced to render the algorithm exact, are discussed, stressing their relevance for the…

High Energy Physics - Lattice · Physics 2009-10-31 R. Frezzotti , K. Jansen

The numerical computations of many quantities of theoretical and phenomenological interest are plagued by statistical errors which increase exponentially with the distance of the sources in the relevant correlators. Notable examples are…

High Energy Physics - Lattice · Physics 2018-04-18 Leonardo Giusti , Marco Cè , Stefan Schaefer

Bayesian reasoning in linear mixed-effects models (LMMs) is challenging and often requires advanced sampling techniques like Markov chain Monte Carlo (MCMC). A common approach is to write the model in a probabilistic programming language…

Machine Learning · Computer Science 2025-03-25 Jinlin Lai , Justin Domke , Daniel Sheldon

We present simple and practical strategies to reduce the variance of Monte Carlo estimators. Our focus is on variational Monte Carlo calculations of atomic forces and pressure in electronic systems, although we show that the underlying…

Strongly Correlated Electrons · Physics 2026-03-17 David Linteau , Saverio Moroni , Giuseppe Carleo , Markus Holzmann

We introduce a variant of the Hybrid Monte Carlo (HMC) algorithm to address large-deviation statistics in stochastic hydrodynamics. Based on the path-integral approach to stochastic (partial) differential equations, our HMC algorithm…

Computational Physics · Physics 2019-10-29 G. Margazoglou , L. Biferale , R. Grauer , K. Jansen , D. Mesterházy , T. Rosenow , R. Tripiccione

We develop an extended framework for the hybrid Monte Carlo (HMC) algorithm in lattice gauge theory by embedding the $SU(N)$ group into the space of general complex matrices,$M_N(\mathbb{C})$. Auxiliary directions will be completely…

High Energy Physics - Lattice · Physics 2025-08-18 Norman H. Christ , Lu-Chang Jin , Christoph Lehner , Erik Lundstrum , Nobuyuki Matsumoto

Traditionally, the field of computational Bayesian statistics has been divided into two main subfields: variational methods and Markov chain Monte Carlo (MCMC). In recent years, however, several methods have been proposed based on combining…

Computation · Statistics 2017-04-19 Cheng Zhang , Babak Shahbaba , Hongkai Zhao

Hamiltonian Monte Carlo (HMC) sampling methods provide a mechanism for defining distant proposals with high acceptance probabilities in a Metropolis-Hastings framework, enabling more efficient exploration of the state space than standard…

Methodology · Statistics 2014-05-13 Tianqi Chen , Emily B. Fox , Carlos Guestrin

We give some new performance results for the Hybrid Monte Carlo (HMC) simulation of dynamical clover-improved Wilson fermions using an improved pseudo-fermion action. The generalisation of even-odd preconditioning for the standard Wilson…

High Energy Physics - Lattice · Physics 2009-04-25 Martin Hasenbusch
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