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• W3126606216 abstract "Dynamical spectral estimation is a well-established numerical approach for estimating eigenvalues and eigenfunctions of the Markov transition operator from trajectory data. Although the approach has been widely applied in biomolecular simulations, its error properties remain poorly understood. Here we analyze the error of a dynamical spectral estimation method called “the variational approach to conformational dynamics (VAC). We bound the approximation error and estimation error for VAC estimates. Our analysis establishes VAC's convergence properties and suggests new strategies for tuning VAC to improve accuracy." @default.
• W3126606216 created "2021-02-15" @default.
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• W3126606216 date "2021-01-01" @default.
• W3126606216 modified "2023-09-25" @default.
• W3126606216 title "Error Bounds for Dynamical Spectral Estimation" @default.
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• W3126606216 doi "https://doi.org/10.1137/20m1335984" @default.
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