Optimal Reaction Coordinates: Variational Characterization and Sparse Computation
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Publication:6109132
DOI10.1137/21m1448367zbMath1529.60035arXiv2107.10158OpenAlexW3199366751MaRDI QIDQ6109132
Mattes Mollenhauer, Péter Koltai, Andreas Bittracher, Christof Schütte
Publication date: 30 June 2023
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2107.10158
Continuous-time Markov processes on general state spaces (60J25) Statistical sampling theory and related topics (62D99) Numerical optimization and variational techniques (65K10) Prediction theory (aspects of stochastic processes) (60G25)
Related Items (2)
Overcoming the timescale barrier in molecular dynamics: Transfer operators, variational principles and machine learning ⋮ Large population limits of Markov processes on random networks
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