Helmut G Katzgraber et al J. Stat. Mech. (2006) P03018 doi:10.1088/1742-5468/2006/03/P03018
Helmut G Katzgraber1, Simon Trebst1,2,3, David A Huse4 and Matthias Troyer1
Show affiliationsWe introduce an algorithm for systematically improving the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that optimizes the simulated statistical ensemble in generalized broad-histogram Monte Carlo simulations. Conventionally, a temperature set is chosen in such a way that the acceptance rates for replica swaps between adjacent temperatures are independent of the temperature and large enough to ensure frequent swaps. In this paper, we show that by choosing the temperatures with a modified version of the optimized ensemble feedback method we can minimize the round-trip times between the lowest and highest temperatures which effectively increases the efficiency of the parallel tempering algorithm. In particular, the density of temperatures in the optimized temperature set increases at the 'bottlenecks' of the simulation, such as phase transitions. In turn, the acceptance rates are now temperature dependent in the optimized temperature ensemble. We illustrate the feedback-optimized parallel tempering algorithm by studying the two-dimensional Ising ferromagnet and the two-dimensional fully frustrated Ising model, and briefly discuss possible feedback schemes for systems that require configurational averages, such as spin glasses.
E-print Number: cond-mat/0602085
Cited: by |
Refers: to
75.40.Mg Numerical simulation studies
75.10.Hk Classical spin models
75.10.Nr Spin-glass and other random models
05.50.+q Lattice theory and statistics (Ising, Potts, etc.)
82D30 Random media, disordered materials (including liquid crystals and spin glasses)
82B44 Disordered systems (random Ising models, random Schrödinger operators, etc.)
Issue 03 (March 2006)
Received 3 February 2006, accepted for publication 9 March 2006
Published 29 March 2006
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