Robust Perron cluster analysis in conformation dynamics

DOI10.1016/j.laa.2004.10.026zbMath1070.15019OpenAlexW2012029966MaRDI QIDQ1774997

Marcus Weber, Peter Deuflhard

Publication date: 4 May 2005

Published in: Linear Algebra and its Applications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.laa.2004.10.026

zbMATH Keywords

Markov chainsnumerical experimentsstochastic matricescluster algorithmsconformation dynamicssymmetric eigenproblemcluster of eigenvaluesPerron cluster analysis

Mathematics Subject Classification ID

Classification and discrimination; cluster analysis (statistical aspects) (62H30) Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Markov chains (discrete-time Markov processes on discrete state spaces) (60J10) Eigenvalues, singular values, and eigenvectors (15A18) Stochastic matrices (15B51)

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Cites Work

• A direct approach to conformational dynamics based on hybrid Monte Carlo
• Phase transitions and metastability in Markovian and molecular systems
• Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains
• Statistically optimal almost-invariant sets
• Perturbation theory for linear operators.
• Stochastic Complementation, Uncoupling Markov Chains, and the Theory of Nearly Reducible Systems
• Detecting and Locating Near-Optimal Almost-Invariant Sets and Cycles
• Metastability and Dominant Eigenvalues of Transfer Operators
• A Simplex Method for Function Minimization
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