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Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations

Simon Trebst·David A. Huse·Matthias Troyer
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Abstract

We present an adaptive algorithm which optimizes the statistical-mechanical ensemble in a generalized broad-histogram Monte Carlo simulation to maximize the system's rate of round trips in total energy. The scaling of the mean round-trip time from the ground state to the maximum entropy state for this local-update method is found to be O([N log N]^2) for both the ferromagnetic and the fully frustrated 2D Ising model with N spins. Our new algorithm thereby substantially outperforms flat-histogram methods such as the Wang-Landau algorithm.

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Simon Trebst, David A. Huse, Matthias Troyer. 2004-07-08. Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations. https://doi.org/10.1103/physreve.70.046701

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