Strict Detailed Balance is Unnecessary in Monte Carlo Simulation

Abstract

Detailed balance is an overly strict condition to ensure a valid Monte Carlo simulation. We show that, under fairly general assumptions, a Monte Carlo simulation need satisfy only the weaker balance condition. Not only does our proof show that sequential updating schemes are correct, but also it establishes the correctness of a whole class of new methods that simply leave the Boltzmann distribution invariant.

8 pages. LaTeX style. To appear in J. Chem. Phys

References in corpus (3)

• Parallel Tempering Algorithm for Conformational Studies of Biological Molecules
• Tempered Fermions in the Hybrid Monte Carlo Algorithm
• Improved Algorithms for Simulating Crystalline Membranes

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