Optimal Low-dimensional Approximation of Transfer Operators via Flow Matching: Computation and Error Analysis

Fuente: arXiv
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Main Authors: Zhang, Zhicheng, Guo, Ling, Wu, Hao
Format: Preprint
Published: 2024
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author Zhang, Zhicheng
Guo, Ling
Wu, Hao
author_facet Zhang, Zhicheng
Guo, Ling
Wu, Hao
contents Reaction coordinates (RCs) are low-dimensional representations of complex dynamical systems that capture their long-term dynamics. In this work, we focus on the criteria of lumpability and decomposability, previously established for assessing RCs, and propose a new flow matching approach for the analysis and optimization of reaction coordinates based on these criteria. This method effectively utilizes data to quantitatively determine whether a given RC satisfies these criteria and enables end-to-end optimization of the reaction coordinate mapping model. Furthermore, we provide a theoretical analysis of the relationship between the loss function used in our approach and the operator error induced by dimension reduction.
format Preprint
id arxiv_https___arxiv_org_abs_2408_15981
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Optimal Low-dimensional Approximation of Transfer Operators via Flow Matching: Computation and Error Analysis
Zhang, Zhicheng
Guo, Ling
Wu, Hao
Numerical Analysis
Dynamical Systems
Reaction coordinates (RCs) are low-dimensional representations of complex dynamical systems that capture their long-term dynamics. In this work, we focus on the criteria of lumpability and decomposability, previously established for assessing RCs, and propose a new flow matching approach for the analysis and optimization of reaction coordinates based on these criteria. This method effectively utilizes data to quantitatively determine whether a given RC satisfies these criteria and enables end-to-end optimization of the reaction coordinate mapping model. Furthermore, we provide a theoretical analysis of the relationship between the loss function used in our approach and the operator error induced by dimension reduction.
title Optimal Low-dimensional Approximation of Transfer Operators via Flow Matching: Computation and Error Analysis
topic Numerical Analysis
Dynamical Systems
url https://arxiv.org/abs/2408.15981