论文标题
计算非可逆过程的最小重新固定效果
Computing the minimal rebinding effect for non-reversible processes
论文作者
论文摘要
本文的目的是研究重新启动效果，这种现象描述了“短期记忆”，当将马尔可夫过程投射到较小的状态空间上时可能会发生。为了保证马尔可夫州模型的正确映射，我们假设成员功能的模糊聚类，为每个州分配成员程度。宏观状态由会员功能表示，可能是重叠的。这种重叠的大小是由投影和稳定系统稳定引起的重新固定效应强度的量度。给定系统中包含的重新固定效果的最小结合被计算为优化问题的解决方案。基于选择作为Schur向量的线性组合的成员资格函数，这种广义方法包括可逆的和非可逆的过程。
The aim of this paper is to investigate the rebinding effect, a phenomenon describing a "short-time memory" which can occur when projecting a Markov process onto a smaller state space. For guaranteeing a correct mapping by the Markov State Model, we assume a fuzzy clustering in terms of membership functions, assigning degrees of membership to each state. The macro states are represented by the membership functions and may be overlapping. The magnitude of this overlap is a measure for the strength of the rebinding effect, caused by the projection and stabilizing the system. A minimal bound for the rebinding effect included in a given system is computed as the solution of an optimization problem. Based on membership functions chosen as a linear combination of Schur vectors, this generalized approach includes reversible as well as non-reversible processes.
