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Related papers: Parallel Tempered Metadynamics

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We apply a recently developed adaptive algorithm that systematically improves the efficiency of parallel tempering or replica exchange methods in the numerical simulation of small proteins. Feedback iterations allow us to identify an…

Quantitative Methods · Quantitative Biology 2007-05-23 Simon Trebst , Matthias Troyer , Ulrich H. E. Hansmann

While gradient-based discrete samplers are effective in sampling from complex distributions, they are susceptible to getting trapped in local minima, particularly in high-dimensional, multimodal discrete distributions, owing to the…

Machine Learning · Statistics 2025-05-21 Luxu Liang , Yuhang Jia , Feng Zhou

Parallel tempering, also known as replica exchange sampling, is an important method for simulating complex systems. In this algorithm simulations are conducted in parallel at a series of temperatures, and the key feature of the algorithm is…

Probability · Mathematics 2012-06-14 Paul Dupuis , Yufei Liu , Nuria Plattner , J. D. Doll

This review gives an overview on the research of algorithms for dynamical fermions used in large scale lattice QCD simulations. First a short overview on the state-of-the-art of ensemble generation at the physical point is given. Followed…

High Energy Physics - Lattice · Physics 2024-02-20 Jacob Finkenrath

We introduce a new update scheme to systematically improve the efficiency of parallel tempering simulations. We show that by adapting the number of sweeps between replica exchanges to the canonical autocorrelation time, the average…

Statistical Mechanics · Physics 2008-09-26 Elmar Bittner , Andreas Nussbaumer , Wolfhard Janke

In a parallel discrete-event simulation (PDES) scheme, tasks are distributed among processing elements (PEs), whose progress is controlled by a synchronization scheme. For lattice systems with short-range interactions, the progress of the…

Statistical Mechanics · Physics 2007-05-23 G. Korniss , M. A. Novotny , H. Guclu , Z. Toroczkai , P. A. Rikvold

The development of improved algorithms for QCD on the lattice has enabled us to do calculations at small quark masses and get control over the chiral extrapolation. Also finer lattices have become possible, however, a severe slowing down…

High Energy Physics - Phenomenology · Physics 2011-07-28 Stefan Schaefer

The improvement of simulations of QCD with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering is studied. As an indicator for decorrelation the topological charge is used.

High Energy Physics - Lattice · Physics 2007-05-23 H. Stüben

Numerical simulations of lattice quantum field theories whose continuum counterparts possess classical solutions with non-trivial topology face a severe critical slowing down as the continuum limit is approached. Standard Monte-Carlo…

High Energy Physics - Lattice · Physics 2018-08-01 Claudio Bonati , Massimo D'Elia

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

For lattice Monte Carlo simulations parallelization is crucial to make studies of large systems and long simulation time feasible, while sequential simulations remain the gold-standard for correlation-free dynamics. Here, various domain…

Computational Physics · Physics 2017-12-19 Jeffrey Kelling , Géza Ódor , Sibylle Gemming

When simulating a lattice system near its critical temperature, local algorithms for modeling the system's evolution can introduce very large autocorrelation times into sampled data. This critical slowing down places restrictions on the…

High Energy Physics - Lattice · Physics 2023-03-01 Tristan Protzman , Joel Giedt

With the aim of studying the relevance and properties of critical slowing down in Monte Carlo simulations of lattice quantum field theories we carried out a high precision numerical study of the discretised two-dimensional CP^{N-1} model at…

High Energy Physics - Lattice · Physics 2015-04-24 Jonathan Flynn , Andreas Juttner , Andrew Lawson , Francesco Sanfilippo

Parallel tempering is popular method for allowing MCMC algorithms to properly explore a $d$-dimensional multimodal target density. One problem with traditional power-based parallel tempering for multimodal targets is that the proportion of…

Computation · Statistics 2018-10-16 Nicholas G. Tawn , Gareth O. Roberts

Recent results on QCD thermodynamics are presented. The nature of the T>0 transition is determined, which turns out to be an analytic cross-over. The absolute scale for this transition is calculated. The temperature dependent static…

High Energy Physics - Lattice · Physics 2009-04-14 Z. Fodor

We implemented a parallel version of the multicanonical algorithm and applied it to a variety of systems with phase transitions of first and second order. The parallelization relies on independent equilibrium simulations that only…

Computational Physics · Physics 2015-01-27 Johannes Zierenberg , Martin Marenz , Wolfhard Janke

We study the finite temperature transition in QCD with two flavors of dynamical fermions at a pseudoscalar pion mass of about 350 MeV. We use lattices with temporal extent of $N_t$=8, 10 and 12. For the first time in the literature a…

High Energy Physics - Lattice · Physics 2015-10-13 Sz. Borsanyi , Z. Fodor S. D. Katz S. Krieg , T. Lippert , D. Nogradi , F. Pittler , K. K. Szabo , B. C. Toth

Parallel tempering (PT) is a class of Markov chain Monte Carlo algorithms that constructs a path of distributions annealing between a tractable reference and an intractable target, and then interchanges states along the path to improve…

We investigate the lattice spacing dependence of the equilibration time for a recently proposed multiscale thermalization algorithm for Markov chain Monte Carlo simulations. The algorithm uses a renormalization-group matched coarse lattice…

High Energy Physics - Lattice · Physics 2018-04-18 William Detmold , Michael G. Endres

We present an algorithm to study mixed-state dynamics in one-dimensional quantum lattice systems. The algorithm can be used, e.g., to construct thermal states or to simulate real time evolutions given by a generic master equation. Its two…

Strongly Correlated Electrons · Physics 2009-11-10 Michael Zwolak , Guifre Vidal