通过均匀采样提高支化聚合物模型广义罗森布鲁斯采样的收敛性

Tom Roberts, T. Prellberg
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引用次数: 0

摘要

广义大气罗森布鲁斯法(GARM)取样是一种估计晶格聚合物模型分布的技术,在研究线性聚合物和晶格多边形时取得了一定的成功。在本文中,我们将解释这种取样方法为何对许多支化聚合物模型无效。通过分析简单二叉树上的算法,我们认为根本问题在于对极端构型的固有偏差,而使用重新加权技术纠正这种偏差的成本很高。对此,我们提供了一种解决方案,即对 GARM 的核心大气应用均匀采样方法。我们要提醒的是,随之而来的计算复杂性往往会超过所获得的改进。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Improving convergence of Generalised Rosenbluth sampling for branched polymer models by uniform sampling
Sampling with the Generalised Atmospheric Rosenbluth Method (GARM) is a technique for estimating the distributions of lattice polymer models that has had some success in the study of linear polymers and lattice polygons. In this paper we will explain how and why such sampling appears not to be effective for many models of branched polymers. Analysing the algorithm on a simple binary tree, we argue that the fundamental issue is an inherent bias towards extreme configurations that is costly to correct with reweighting techniques. We provide a solution to this by applying uniform sampling methods to the atmospheres that are central to GARM. We caution that the ensuing computational complexity often outweighs the improvements gained.
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