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A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…

Materials Science · Physics 2010-09-03 Liangzhe Zhang , Timothy Bartel , Mark T. Lusk

We propose a modified power method for computing the subdominant eigenvalue $\lambda_2$ of a matrix or continuous operator. Here we focus on defining simple Monte Carlo methods for its application. The methods presented use random walkers…

Statistical Mechanics · Physics 2012-12-04 B. M. Rubenstein , J. E. Gubernatis , J. D. Doll

To evaluate the effectiveness of machine learning in systems with competing interactions, we developed a self-learning quantum Monte Carlo (SLQMC) method to simulate the phase transition in the classical Holstein-spin-fermion model. In…

Strongly Correlated Electrons · Physics 2025-09-09 Shaozhi Li

We discuss hybrid Monte Carlo algorithms for odd-flavor lattice QCD simulations. The algorithms include a polynomial approximation which enables us to simulate odd-flavor QCD in the framework of the hybrid Monte Carlo algorithm. In order to…

High Energy Physics - Lattice · Physics 2009-11-07 Tetsuya Takaishi , Philippe de Forcrand

Numerous applications in biology, statistics, science, and engineering require generating samples from high-dimensional probability distributions. In recent years, the Hamiltonian Monte Carlo (HMC) method has emerged as a state-of-the-art…

Computational Engineering, Finance, and Science · Computer Science 2024-05-09 Dhruv V. Patel , Jonghyun Lee , Matthew W. Farthing , Peter K. Kitanidis , Eric F. Darve

Self-learning Monte Carlo (SLMC) method is a general algorithm to speedup MC simulations. Its efficiency has been demonstrated in various systems by introducing an effective model to propose global moves in the configuration space. In this…

Strongly Correlated Electrons · Physics 2018-06-06 Huitao Shen , Junwei Liu , Liang Fu

A simple algorithm is described to sample permutations of identical particles in Path Integral Monte Carlo (PIMC) simulations of continuum many-body systems. The sampling strategy illustrated here is fairly general, and can be easily…

Computational Physics · Physics 2009-11-11 Massimo Boninsegni

We introduce Preconditioned Monte Carlo (PMC), a novel Monte Carlo method for Bayesian inference that facilitates efficient sampling of probability distributions with non-trivial geometry. PMC utilises a Normalising Flow (NF) in order to…

Instrumentation and Methods for Astrophysics · Physics 2022-08-24 Minas Karamanis , Florian Beutler , John A. Peacock , David Nabergoj , Uros Seljak

We present the first tests and results from a study of QCD with two flavours of dynamical Wilson fermions using the Hybrid Monte Carlo Algorithm (HMCA) on APE100 machines.

High Energy Physics - Lattice · Physics 2015-06-25 S. Antonelli , M. Bellacci , A. Donini , R. Sarno

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

Hamiltonian Monte Carlo (HMC) is widely used for sampling from high dimensional target distributions with densities known up to proportionality. While HMC exhibits favorable scaling properties in high dimensions, it struggles with strongly…

Computation · Statistics 2025-07-30 Joonha Park

We compare the performance of the PHMC algorithm with the one of the HMC algorithm in practical simulations of lattice QCD. We show that the PHMC algorithm can lead to an acceleration of numerical simulations. It is demonstrated that the…

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

Self-learning Monte Carlo method (SLMC), using a trained effective model to guide Monte Carlo sampling processes, is a powerful general-purpose numerical method recently introduced to speed up simulations in (quantum) many-body systems. In…

Strongly Correlated Electrons · Physics 2018-07-18 Chuang Chen , Xiao Yan Xu , Junwei Liu , George Batrouni , Richard Scalettar , Zi Yang Meng

The probability of accepting a candidate move in the hybrid Monte Carlo algorithm can be increased by considering a transition to be between windows of several states at the beginning and end of the trajectory, with a state within the…

High Energy Physics - Lattice · Physics 2008-02-03 R. M. Neal

Hamiltonian Monte Carlo (HMC) is a state of the art method for sampling from distributions with differentiable densities, but can converge slowly when applied to challenging multimodal problems. Running HMC with a time varying Hamiltonian,…

Machine Learning · Statistics 2026-02-26 Reuben Cohn-Gordon , Uroš Seljak , Dries Sels

Tuning the durations of the Hamiltonian flow in Hamiltonian Monte Carlo (also called Hybrid Monte Carlo) (HMC) involves a tradeoff between computational cost and sampling quality, which is typically challenging to resolve in a satisfactory…

Probability · Mathematics 2017-09-08 Nawaf Bou-Rabee , Jesus Maria Sanz-Serna

The efficiency of Hamiltonian Monte Carlo (HMC) can suffer when sampling a distribution with a wide range of length scales, because the small step sizes needed for stability in high-curvature regions are inefficient elsewhere. To address…

Machine Learning · Statistics 2023-11-09 Chirag Modi , Alex Barnett , Bob Carpenter

Hamiltonian Monte Carlo (HMC) is a state-of-the-art Markov chain Monte Carlo sampling algorithm for drawing samples from smooth probability densities over continuous spaces. We study the variant most widely used in practice, Metropolized…

Machine Learning · Statistics 2021-01-12 Yuansi Chen , Raaz Dwivedi , Martin J. Wainwright , Bin Yu

We present two improvements to our previous dynamical overlap HMC algorithm. We introduce a new method of differentiating the eigenvectors of the Kernel operator, which removes an instability in the fermionic force. Secondly, by simulating…

High Energy Physics - Lattice · Physics 2009-04-14 N. Cundy , S. Krieg , T. Lippert , A Schaefer

We discuss the adaptation of the Hybrid Monte Carlo algorithm to overlap fermions. We derive a method which can be used to account for the delta function in the fermionic force caused by the differential of the sign function. We discuss the…

High Energy Physics - Lattice · Physics 2009-11-11 Nigel Cundy