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arXiv · 1004.0931

Comparative Monte Carlo Efficiency by Monte Carlo Analysis

B. M. Rubenstein·J. E. Gubernatis·J. D. Doll
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Abstract

We propose a modified power method for computing the subdominant eigenvalue $λ_2$ of a matrix or continuous operator. Here we focus on defining simple Monte Carlo methods for its application. The methods presented use random walkers of mixed signs to represent the subdominant eigenfuction. Accordingly, the methods must cancel these signs properly in order to sample this eigenfunction faithfully. We present a simple procedure to solve this sign problem and then test our Monte Carlo methods by computing the $λ_2$ of various Markov chain transition matrices. We first computed ${λ_2}$ for several one and two dimensional Ising models, which have a discrete phase space, and compared the relative efficiencies of the Metropolis and heat-bath algorithms as a function of temperature and applied magnetic field. Next, we computed $λ_2$ for a model of an interacting gas trapped by a harmonic potential, which has a mutidimensional continuous phase space, and studied the efficiency of the Metropolis algorithm as a function of temperature and the maximum allowable step size $Δ$. Based on the $λ_2$ criterion, we found for the Ising models that small lattices appear to give an adequate picture of comparative efficiency and that the heat-bath algorithm is more efficient than the Metropolis algorithm only at low temperatures where both algorithms are inefficient. For the harmonic trap problem, we found that the traditional rule-of-thumb of adjusting $Δ$ so the Metropolis acceptance rate is around 50% range is often sub-optimal. In general, as a function of temperature or $Δ$, $λ_2$ for this model displayed trends defining optimal efficiency that the acceptance ratio does not. The cases studied also suggested that Monte Carlo simulations for a continuum model are likely more efficient than those for a discretized version of the model.

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BibTeXRIS

B. M. Rubenstein, J. E. Gubernatis, J. D. Doll. 2010-04-06. Comparative Monte Carlo Efficiency by Monte Carlo Analysis. https://doi.org/10.1103/physreve.82.036701

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