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arXiv:1107.5640 · Physical Review E

Parallel-tempering cluster algorithm for computer simulations of critical phenomena

Elmar Bittner, Wolfhard Janke E

Published Sep 1, 2011• 15 citations
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Abstract

In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature range around the critical point. By combining the parallel-tempering algorithm with cluster updates and an adaptive routine to find the temperature window of interest, we introduce a flexible and powerful method for systematic investigations of critical phenomena. As a result, we gain one to two orders of magnitude in the performance for two- and three-dimensional Ising models in comparison with the recently proposed Wang-Landau recursion for cluster algorithms based on the multibondic algorithm, which is already a great improvement over the standard multicanonical variant.

DOI
10.1103/physreve.84.036701

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In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature range around the critical point. By combining the parallel-tempering algorithm with cluster updates and an adaptive routine to find the temperature window of interest, we introduce a flexible and powerful method for systematic investigations of critical phenomena. As a result, we gain one to two orders of magnitude in the performance for two- and three-dimensional Ising models in comparison with the recently proposed Wang-Landau recursion for cluster algorithms based on the multibondic algorithm, which is already a great improvement over the standard multicanonical variant.
In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature/energy range around the critical point.By combining the replica-exchange algorithm with cluster updates and an adaptive routine to find the range of interest, we introduce a new flexible and powerful method for systematic investigations of critical phenomena.As a result, we gain two further orders of magnitude in the performance for 2D and 3D Ising models in comparison with the recently proposed Wang-Landau recursion for cluster algorithms based on the multibondic algorithm, which is already a great improvement over the standard multicanonical variant.
At second-order phase transitions the critical energy range covered by a canonical Monte Carlo simulation close to the critical temperature is often smaller than the energy range needed for reliable reweighting analyses of certain observables. Such an extended energy range can be covered by performing a Wang–Landau recursion for the spectral density followed by a multicanonical simulation with fixed weights. But in the conventional approach based on local update rules one loses the advantage due to non-local cluster algorithms which are well known to drastically reduce critical slowing down. We develop a cluster version of the Wang–Landau recursion together with a subsequent multibondic simulation and show for 2D and 3D Ising models that the efficiency of the conventional Wang–Landau multicanonical approach can be improved by power laws in the lattice size. In our simulations real gains in CPU time reach two orders of magnitude.
For a second-order phase transition the critical energy range of interest is larger than the energy range covered by a canonical Monte Carlo simulation at the critical temperature. Such an extended energy range can be covered by performing a Wang-Landau recursion for the spectral density followed by a multicanonical simulation with fixed weights. But in the conventional approach one loses the advantage due to cluster algorithms. A cluster version of the Wang-Landau recursion together with a subsequent multibondic simulation improves for 2D and 3D Ising models the efficiency of the conventional Wang-Landau or multicanonical approach by power laws in the lattice size. In our simulations real gains in CPU time reach 2 orders of magnitude.
A new class of Monte Carlo methods is introduced. The approach is devised to be especially useful for studying critical phenomena and phase transitions. The method can sample the critical point without a priori knowledge of the critical temperature. The method is first verified for Ising and Potts models. It is shown that the method also efficiently simulates the coexistence region near first-order transitions. The method is applied to dilute Ising models for studying disorder effects on critical phenomena. The dynamic properties of the method are investigated numerically. Finally a parallel version of the method is described and high-precision numerical results for the critical point of three-dimensional Ising models are presented.
We introduce a new update scheme to systematically improve the efficiency of parallel tempering Monte Carlo simulations by taking into account the temperature dependence of autocorrelation times.In contrast to previous attempts the temperatures are not dynamically adjusted but chosen in such a way that the acceptance rate for proposed exchanges of all adjacent replica is about 50%.We show that by adapting the number of sweeps between the parallel tempering moves to the canonical autocorrelation time, the average round-trip time of a replica between the lowest and the highest temperatures is significantly decreased and, therefore, the efficiency of the parallel tempering algorithm is considerably improved.We illustrate the new algorithm with results for the two-dimensional Ising model and propose a toy model to find the optimal parameter set for the parallel tempering routine within no time.
We use the single-cluster Monte Carlo update algorithm to simulate the Ising model on two-dimensional Poissonian random lattices with up to 80 000 sites which are linked together according to the Voronoi-Delaunay prescription. In one set of simulations we use reweighting techniques and finite-size scaling analysis to investigate the critical properties of the model in the very vicinity of the phase transition. In the other set of simulations we study the approach to criticality in the disordered phase, making use of improved estimators for measurements. From both sets of simulations we obtain clear evidence that the critical exponents agree with the exactly known exponents for regular lattices, i.e., that (lattice) universality holds for the two-dimensional Ising model.