未知不变曲面附近慢-快随机系统的非线性模型还原

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2023-12-08 DOI:10.1007/s00332-023-09998-8
Felix X.-F. Ye, Sichen Yang, Mauro Maggioni
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引用次数: 0

摘要

我们为高维随机动力系统引入了一种非线性随机模型还原技术,该系统具有低维慢动态不变有效流形和高维大快速模式。在只能使用黑盒模拟器进行短时间模拟的情况下,我们设计了一种算法,它能输出不变流形的估计值、流形上的有效随机动力学过程(已平均掉快速模态)及其模拟器。该模拟器的高效之处在于它利用了不变流形的低维度,并且时间步长取决于有效过程的规则性,因此通常比原始模拟器的时间步长大得多,因为原始模拟器必须解决快速模式问题。算法和估算可以在运行中进行,从而有效地探索有效状态空间,而不会失去与底层动力学的一致性。这种结构可以快速、高效地模拟有效动力学路径,并估算这种动力学的关键特征和观测值,包括静态分布、可转移状态的识别以及它们之间的驻留时间和转换率。
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Nonlinear Model Reduction for Slow–Fast Stochastic Systems Near Unknown Invariant Manifolds

We introduce a nonlinear stochastic model reduction technique for high-dimensional stochastic dynamical systems that have a low-dimensional invariant effective manifold with slow dynamics and high-dimensional, large fast modes. Given only access to a black-box simulator from which short bursts of simulation can be obtained, we design an algorithm that outputs an estimate of the invariant manifold, a process of the effective stochastic dynamics on it, which has averaged out the fast modes, and a simulator thereof. This simulator is efficient in that it exploits of the low dimension of the invariant manifold, and takes time-steps of size dependent on the regularity of the effective process, and therefore typically much larger than that of the original simulator, which had to resolve the fast modes. The algorithm and the estimation can be performed on the fly, leading to efficient exploration of the effective state space, without losing consistency with the underlying dynamics. This construction enables fast and efficient simulation of paths of the effective dynamics, together with estimation of crucial features and observables of such dynamics, including the stationary distribution, identification of metastable states, and residence times and transition rates between them.

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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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