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Overcoming the slowing down of flat-histogram Monte Carlo simulations: Cluster updates and optimized broad-histogram ensembles

机译:克服扁平直方图蒙特卡罗模拟的减速:集群更新和优化的广义直方图集合

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摘要

We study the performance of Monte Carlo simulations that sample a broad histogram in energy by determining the mean first-passage time to span the entire energy space of d-dimensional ferromagnetic Ising/Potts models. We first show that flat-histogram Monte Carlo methods with single-spin flip updates such as the Wang-Landau algorithm or the multicanonical method perform suboptimally in comparison to an unbiased Markovian random walk in energy space. For the d=1, 2, 3 Ising model, the mean first-passage time τ scales with the number of spins N=Ld as τ∝N2Lz. The exponent z is found to decrease as the dimensionality d is increased. In the mean-field limit of infinite dimensions we find that z vanishes up to logarithmic corrections. We then demonstrate how the slowdown characterized by z\u3e0 for finite d can be overcome by two complementary approaches—cluster dynamics in connection with Wang-Landau sampling and the recently developed ensemble optimization technique. Both approaches are found to improve the random walk in energy space so that τ∝N2 up to logarithmic corrections for the d=1, 2 Ising model.
机译:我们通过确定平均首次通过时间来跨越d维铁磁Ising / Potts模型的整个能量空间,研究了对能量中的直方图进行采样的蒙特卡洛模拟的性能。我们首先显示,与能量空间中的无偏马尔可夫随机游动相比,具有单旋转翻转更新的平面直方图蒙特卡罗方法(如Wang-Landau算法或多规范方法)的表现欠佳。对于d = 1、2、3 Ising模型,平均首次通过时间τ以自旋数N = Ld为τ∝N2Lz进行缩放。发现指数z随着维数d的增加而减小。在无限维的平均场极限中,我们发现z消失直至对数校正。然后,我们演示了如何通过两种互补的方法(以与Wang-Landau采样相关的群集动力学以及最近开发的集成优化技术)克服有限d的z \ u3e0为特征的减速。发现这两种方法都可以改善能量空间中的随机游动,从而使τ∝N2达到d = 1,2 Ising模型的对数校正。

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