Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

Handle URI:
http://hdl.handle.net/10754/624090
Title:
Information Theoretic Tools for Parameter Fitting in Coarse Grained Models
Authors:
Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plechac, Petr
Abstract:
We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics and finding the optimal parameter set for which the relative entropy rate with respect to the atomistic dynamics is minimized. The minimization problem leads to a generalization of the force matching methods to non equilibrium systems. A multiplicative noise example reveals the importance of the diffusion coefficient in the optimization problem.
Conference/Event name:
Advances in Uncertainty Quantification Methods, Algorithms and Applications (UQAW 2015)
Issue Date:
7-Jan-2015
Type:
Poster
Appears in Collections:
Conference on Advances in Uncertainty Quantification Methods, Algorithms and Applications (UQAW 2015)

Full metadata record

DC FieldValue Language
dc.contributor.authorKalligiannaki, Evangeliaen
dc.contributor.authorHarmandaris, Vagelisen
dc.contributor.authorKatsoulakis, Markos A.en
dc.contributor.authorPlechac, Petren
dc.date.accessioned2017-06-05T08:35:48Z-
dc.date.available2017-06-05T08:35:48Z-
dc.date.issued2015-01-07-
dc.identifier.urihttp://hdl.handle.net/10754/624090-
dc.description.abstractWe study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics and finding the optimal parameter set for which the relative entropy rate with respect to the atomistic dynamics is minimized. The minimization problem leads to a generalization of the force matching methods to non equilibrium systems. A multiplicative noise example reveals the importance of the diffusion coefficient in the optimization problem.en
dc.titleInformation Theoretic Tools for Parameter Fitting in Coarse Grained Modelsen
dc.typePosteren
dc.conference.dateJanuary 6-9, 2015en
dc.conference.nameAdvances in Uncertainty Quantification Methods, Algorithms and Applications (UQAW 2015)en
dc.conference.locationKAUSTen
dc.contributor.institutionUniversity of Creteen
dc.contributor.institutionUniversity of Massachusetts Amhersten
dc.contributor.institutionUniversity of Delawareen
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