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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 present a novel implementation of the parallel tempering Monte Carlo method in a multicanonical ensemble. Multicanonical weights are derived by a self-consistent iterative process using a Boltzmann inversion of global energy histograms.…

Soft Condensed Matter · Physics 2009-11-07 Roland Faller , Qiliang Yan , Juan J. de Pablo

In the continuous time random walk model, the time-fractional operator usually expresses an infinite waiting time probability density. Different from that usual setting, this work considers the tempered time-fractional operator, which…

Numerical Analysis · Mathematics 2021-12-16 Libo Feng , Fawang Liu , Vo V. Anh , Shanlin Qin

This paper describes an algorithm for selecting parameter values (e.g. temperature values) at which to measure equilibrium properties with Parallel Tempering Monte Carlo simulation. Simple approaches to choosing parameter values can lead to…

Other Condensed Matter · Physics 2015-05-18 Firas Hamze , Neil Dickson , Kamran Karimi

Developing efficient MCMC algorithms is indispensable in Bayesian inference. In parallel tempering, multiple interacting MCMC chains run to more efficiently explore the state space and improve performance. The multiple chains advance…

Computation · Statistics 2021-09-15 A. Marie d'Avigneau , S. S. Singh , L. M. Murray

Monte Carlo simulations are useful tools for modeling quantum systems, but in some cases they suffer from a sign problem, leading to an exponential slow down in their convergence to a value. While solving the sign problem is generically…

Quantum Physics · Physics 2022-12-21 T. C. Mooney , Jacob Bringewatt , Neill C. Warrington , Lucas T. Brady

We present results from our study of the Parallel Tempering algorithm. We examine the swapping acceptance rate of a twin subensemble PT system. We use action matching technology in an attempt to maximise the swap acceptance rate. We model…

High Energy Physics - Lattice · Physics 2009-10-31 Balint Joo , UKQCD Collaboration

Parallel tempering Monte Carlo has proven to be an efficient method in optimization and sampling applications. Having an optimized temperature set enhances the efficiency of the algorithm through more-frequent replica visits to the…

Computational Physics · Physics 2019-11-11 Ignacio Rozada , Maliheh Aramon , Jonathan Machta , Helmut G. Katzgraber

We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is…

Soft Condensed Matter · Physics 2009-10-31 Alex Bunker , Burkhard Duenweg

Monte Carlo simulations of lattice quantum field theories on Lefschetz thimbles are non trivial. We discuss a new Monte Carlo algorithm based on the idea of computing contributions to the functional integral which come from complete flow…

High Energy Physics - Lattice · Physics 2016-11-28 Francesco Di Renzo , Giovanni Eruzzi

We report a novel Monte Carlo scheme that greatly enhances the power of parallel-tempering simulations. In this method, we boost the accumulation of statistical averages by including information about all potential parallel tempering trial…

Statistical Mechanics · Physics 2007-05-23 Ivan Coluzza Daan Frenkel

At fine lattice spacings, Markov chain Monte Carlo simulations of QCD and other gauge theories with or without fermions are plagued by slow modes that give rise to large autocorrelation times. This can lead to simulation runs that are…

High Energy Physics - Lattice · Physics 2024-06-12 Timo Eichhorn , Gianluca Fuwa , Christian Hoelbling , Lukas Varnhorst

A variant of the parallel tempering method is proposed in terms of a stochastic switching process for the coupled dynamics of replica configuration and temperature permutation. This formulation is shown to facilitate the analysis of the…

Chemical Physics · Physics 2017-12-20 Jianfeng Lu , Eric Vanden-Eijnden

We introduce a new strategy for coupling the parallel in time (parareal) iterative methodology with multiscale integrators. Following the parareal framework, the algorithm computes a low-cost approximation of all slow variables in the…

Numerical Analysis · Mathematics 2015-11-19 Gil Ariel , Seong Jun Kim , Richard Tsai

Many fascinating systems suffer from a severe (complex action) sign problem preventing us from calculating them with Markov Chain Monte Carlo simulations. One promising method to alleviate the sign problem is the transformation of the…

Strongly Correlated Electrons · Physics 2022-11-18 Marcel Rodekamp , Christoph Gäntgen

Sampling Boltzmann probability distributions plays a key role in machine learning and optimization, motivating the design of hardware accelerators such as Ising machines. While the Ising model can in principle encode arbitrary optimization…

Machine Learning · Computer Science 2025-08-01 Corentin Delacour , M Mahmudul Hasan Sajeeb , Joao P. Hespanha , Kerem Y. Camsari

The effectiveness of stochastic algorithms based on Monte Carlo dynamics in solving hard optimization problems is mostly unknown. Beyond the basic statement that at a dynamical phase transition the ergodicity breaks and a Monte Carlo…

Disordered Systems and Neural Networks · Physics 2019-07-10 Maria Chiara Angelini , Federico Ricci-Tersenghi

When auditing a redistricting plan, a persuasive method is to compare the plan with an ensemble of neutrally drawn redistricting plans. Ensembles are generated via algorithms that sample distributions on balanced graph partitions. To audit…

Physics and Society · Physics 2024-02-01 Gabriel Chuang , Gregory Herschlag , Jonathan C. Mattingly

A solution to the sign problem is the so-called "Lefschetz thimble approach" where the domain of integration for field variables in the path integral is deformed from the real axis to a sub-manifold in the complex space. For properly chosen…

High Energy Physics - Lattice · Physics 2016-06-01 Andrei Alexandru , Gokce Basar , Paulo F. Bedaque , Gregory W. Ridgway , Neill C. Warrington

We introduce a robust numerical method for determining intersection numbers of Lefschetz thimbles in multivariable settings. Our approach employs the multiple shooting method to solve the upward flow equations from the saddle points to the…

High Energy Physics - Theory · Physics 2026-02-02 Yutaro Shoji , Katarina Trailović