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Efficient Irreversible Monte Carlo Samplers

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)2124-2138
Number of pages15
JournalJournal of Chemical Theory and Computation
Issue number4
Published14 Apr 2020

King's Authors


We present here two irreversible Markov chain Monte Carlo algorithms for general discrete state systems. One of the algorithms is based on the random-scan Gibbs sampler for discrete states and the other on its improved version, the Metropolized-Gibbs sampler. The algorithms we present incorporate the lifting framework with skewed detailed balance condition and construct irreversible Markov chains that satisfy the balance condition. We have applied our algorithms to 1D 4-state Potts model. The integrated autocorrelation times for magnetization and energy density indicate a reduction of the dynamical scaling exponent from z ≈ 1 to z ≈ 1/2. In addition, we have generalized an irreversible Metropolis-Hastings algorithm with skewed detailed balance, initially introduced by Turitsyn et al. [ Physica D 2011, 240, 410 ] for the mean field Ising model, to be now readily applicable to classical spin systems in general; application to 1D 4-state Potts model indicate a square root reduction of the mixing time at high temperatures.

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