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Efficient maximum likelihood parameterization of continuous-time Markov processes

delete2015-07-21
delete27
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OA
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R
Robert T. McGibbon *
V
Vijay S. Pande
DOI:10.1063/1.4926516delete
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Abstract

Abstract

En 中文
Continuous-time Markov processes over finite state-spaces are widely used to model dynamical processes in many fields of natural and social science. Here, we introduce a maximum likelihood estimator for constructing such models from data observed at a finite time interval. This estimator is dramatically more efficient than prior approaches, enables the calculation of deterministic confidence intervals in all model parameters, and can easily enforce important physical constraints on the models such as detailed balance. We demonstrate and discuss the advantages of these models over existing discrete-time Markov models for the analysis of molecular dynamics simulations. (C) 2015 AIP Publishing LLC.
Keywords:
STATE MODELS
TRANSITION
DYNAMICS
ALGORITHM
2-STATE
GENERATORS
LANDSCAPE
INFERENCE
KINETICS
REVEAL
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Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.

Journal

Journal of Chemical Physics cover
Journal of Chemical Physics
IF:
3.1
Papers:
7.2W
Citations:
23.2W

Organization

S
Stanford University
Scholars:
9.6W
Papers: 8.2W
Citations: 17.0W
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