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Feedback-optimized parallel tempering Monte Carlo

Helmut G Katzgraber1, Simon Trebst1,2,3, David A Huse4 and Matthias Troyer1

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We 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.


Keywords

analysis of algorithms

classical monte carlo simulations

other numerical approaches

 

E-print Number: cond-mat/0602085

Cited: by |

Refers: to

PACS

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.)

75.50.Dd Nonmetallic ferromagnetic materials

75.50.Lk Spin glasses and other random magnets

MSC

82D30 Random media, disordered materials (including liquid crystals and spin glasses)

82D40 Magnetic materials

65C05 Monte Carlo methods

82B44 Disordered systems (random Ising models, random Schrödinger operators, etc.)

Subjects

Condensed matter: electrical, magnetic and optical

Statistical physics and nonlinear systems

Dates

Issue 03 (March 2006)

Received 3 February 2006, accepted for publication 9 March 2006

Published 29 March 2006



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