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• W3199366751 abstract "Reaction coordinates (RCs) are indicators of hidden, low-dimensional mechanisms that govern the long-term behavior of high-dimensional stochastic processes. We present a novel and general variational characterization of optimal RCs and provide conditions for their existence. Optimal RCs are minimizers of a certain loss function, and reduced models based on them guarantee a good approximation of the statistical long-term properties of the original high-dimensional process. We show that for slow-fast systems, metastable systems, and other systems with known good RCs, the novel theory reproduces previous insight. Remarkably, for reversible systems, the numerical effort required to evaluate the loss function scales only with the variability of the underlying, low-dimensional mechanism, and not with that of the full system. The theory provided lays the foundation for an efficient and data-sparse computation of RCs via modern machine learning techniques." @default.
• W3199366751 created "2021-09-27" @default.
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• W3199366751 date "2023-04-25" @default.
• W3199366751 modified "2023-10-16" @default.
• W3199366751 title "Optimal Reaction Coordinates: Variational Characterization and Sparse Computation" @default.
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• W3199366751 doi "https://doi.org/10.1137/21m1448367" @default.
• W3199366751 hasPublicationYear "2023" @default.
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