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dc.contributor.authorHaas, Kevin R.en_US
dc.contributor.authorYang, Hawen_US
dc.contributor.authorChu, Jhih-Weien_US
dc.date.accessioned2014-12-08T15:33:04Z-
dc.date.available2014-12-08T15:33:04Z-
dc.date.issued2013-09-28en_US
dc.identifier.issn0021-9606en_US
dc.identifier.urihttp://dx.doi.org/10.1063/1.4820491en_US
dc.identifier.urihttp://hdl.handle.net/11536/23023-
dc.description.abstractThe evaluation of the Fisher information matrix for the probability density of trajectories generated by the over-damped Langevin dynamics at equilibrium is presented. The framework we developed is general and applicable to any arbitrary potential of mean force where the parameter set is now the full space dependent function. Leveraging an innovative Hermitian form of the corresponding Fokker-Planck equation allows for an eigenbasis decomposition of the time propagation probability density. This formulation motivates the use of the square root of the equilibrium probability density as the basis for evaluating the Fisher information of trajectories with the essential advantage that the Fisher information matrix in the specified parameter space is constant. This outcome greatly eases the calculation of information content in the parameter space via a line integral. In the continuum limit, a simple analytical form can be derived to explicitly reveal the physical origin of the information content in equilibrium trajectories. This methodology also allows deduction of least informative dynamics models from known or available observables that are either dynamical or static in nature. The minimum information optimization of dynamics is performed for a set of different constraints to illustrate the generality of the proposed methodology. (C) 2013 AIP Publishing LLC.en_US
dc.language.isoen_USen_US
dc.titleFisher information metric for the Langevin equation and least informative models of continuous stochastic dynamicsen_US
dc.typeArticleen_US
dc.identifier.doi10.1063/1.4820491en_US
dc.identifier.journalJOURNAL OF CHEMICAL PHYSICSen_US
dc.citation.volume139en_US
dc.citation.issue12en_US
dc.citation.epageen_US
dc.contributor.department生物科技學系zh_TW
dc.contributor.department生物資訊及系統生物研究所zh_TW
dc.contributor.departmentDepartment of Biological Science and Technologyen_US
dc.contributor.departmentInstitude of Bioinformatics and Systems Biologyen_US
dc.identifier.wosnumberWOS:000325392000034-
dc.citation.woscount3-
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