Numerical and statistical methods for the coarse-graining of many-particle stochastic systems

被引:12
作者
Katsoulakis, Markos A. [1 ]
Plechac, Petr [2 ,3 ]
Rey-Bellet, Luc [1 ]
机构
[1] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA
[2] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA
[3] Oak Ridge Natl Lab, Knoxville, TN 37996 USA
基金
美国国家科学基金会;
关键词
coarse-graining; relative entropy; lattice spin systems; polymeric systems; Monte Carlo method; gibbs measure; cluster expansion; multi-body interactions; renormalization group map; adaptivity; a posteriori error analysis; importance sampling;
D O I
10.1007/s10915-008-9216-6
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
In this article we discuss recent work on coarse-graining methods for microscopic stochastic lattice systems. We emphasize the numerical analysis of the schemes, focusing on error quantification as well as on the construction of improved algorithms capable of operating in wider parameter regimes. We also discuss adaptive coarse-graining schemes which have the capacity of automatically adjusting during the simulation if substantial deviations are detected in a suitable error indicator. The methods employed in the development and the analysis of the algorithms rely on a combination of statistical mechanics methods (renormalization and cluster expansions), statistical tools (reconstruction and importance sampling) and PDE-inspired analysis (a posteriori estimates). We also discuss the connections and extensions of our work on lattice systems to the coarse-graining of polymers.
引用
收藏
页码:43 / 71
页数:29
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