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Spectral Properties of Effective Dynamics from Conditional Expectations

The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffusion processes, a general procedure to find effective equations is the conditioning approach. In this paper, we are inte...

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Autores principales: Nüske, Feliks, Koltai, Péter, Boninsegna, Lorenzo, Clementi, Cecilia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7912208/
https://www.ncbi.nlm.nih.gov/pubmed/33494443
http://dx.doi.org/10.3390/e23020134
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author Nüske, Feliks
Koltai, Péter
Boninsegna, Lorenzo
Clementi, Cecilia
author_facet Nüske, Feliks
Koltai, Péter
Boninsegna, Lorenzo
Clementi, Cecilia
author_sort Nüske, Feliks
collection PubMed
description The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffusion processes, a general procedure to find effective equations is the conditioning approach. In this paper, we are interested in the spectrum of the generator of the resulting effective dynamics, and how it compares to the spectrum of the full generator. We prove a new relative error bound in terms of the eigenfunction approximation error for reversible systems. We also present numerical examples indicating that, if Kramers–Moyal (KM) type approximations are used to compute the spectrum of the reduced generator, it seems largely insensitive to the time window used for the KM estimators. We analyze the implications of these observations for systems driven by underdamped Langevin dynamics, and show how meaningful effective dynamics can be defined in this setting.
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spelling pubmed-79122082021-02-28 Spectral Properties of Effective Dynamics from Conditional Expectations Nüske, Feliks Koltai, Péter Boninsegna, Lorenzo Clementi, Cecilia Entropy (Basel) Article The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffusion processes, a general procedure to find effective equations is the conditioning approach. In this paper, we are interested in the spectrum of the generator of the resulting effective dynamics, and how it compares to the spectrum of the full generator. We prove a new relative error bound in terms of the eigenfunction approximation error for reversible systems. We also present numerical examples indicating that, if Kramers–Moyal (KM) type approximations are used to compute the spectrum of the reduced generator, it seems largely insensitive to the time window used for the KM estimators. We analyze the implications of these observations for systems driven by underdamped Langevin dynamics, and show how meaningful effective dynamics can be defined in this setting. MDPI 2021-01-21 /pmc/articles/PMC7912208/ /pubmed/33494443 http://dx.doi.org/10.3390/e23020134 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Nüske, Feliks
Koltai, Péter
Boninsegna, Lorenzo
Clementi, Cecilia
Spectral Properties of Effective Dynamics from Conditional Expectations
title Spectral Properties of Effective Dynamics from Conditional Expectations
title_full Spectral Properties of Effective Dynamics from Conditional Expectations
title_fullStr Spectral Properties of Effective Dynamics from Conditional Expectations
title_full_unstemmed Spectral Properties of Effective Dynamics from Conditional Expectations
title_short Spectral Properties of Effective Dynamics from Conditional Expectations
title_sort spectral properties of effective dynamics from conditional expectations
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7912208/
https://www.ncbi.nlm.nih.gov/pubmed/33494443
http://dx.doi.org/10.3390/e23020134
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