English
How to compute transition times?
Multi angle
Auteurs : Lelièvre, Tony (Auteur de la Conférence)
CIRM (Editeur )
60J22 - Computational methods in Markov chains
65C40 - Computational Markov chains (numerical analysis)
82C31 - Stochastic methods in time-dependent statistical mechanics (Fokker-Planck, Langevin, etc.)
CIRM (Editeur )
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Résumé :
We illustrate how the Hill relation and the notion of quasi-stationary distribution can be used to analyse the error introduced by many algorithms that have been proposed in the literature, in particular in molecular dynamics, to compute mean reaction times between metastable states for Markov processes. We present in particular how this analysis gives rigorous foundations to methods using splitting algorithms to sample the reactive trajectories.
Keywords : Metastable dynamics; Hill relation; rare event
Codes MSC : Keywords : Metastable dynamics; Hill relation; rare event
60J22 - Computational methods in Markov chains
65C40 - Computational Markov chains (numerical analysis)
82C31 - Stochastic methods in time-dependent statistical mechanics (Fokker-Planck, Langevin, etc.)
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Informations sur la Vidéo
Réalisateur : Hennenfent, GuillaumeLangue : Anglais Date de publication : 16/08/2021 Date de captation : 28/07/2021 Sous collection : Research talks arXiv category : Numerical Analysis ; Probability Domaine : Numerical Analysis & Scientific Computing ; Probability & Statistics Format : MP4 (.mp4) - HD Durée : 00:56:07 Audience : Researchers Download : https://videos.cirm-math.fr/2021-07-28-Lelievre.mp4 
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Informations sur la Rencontre
Nom de la rencontre : CEMRACS 2021: Data Assimilation and Model Reduction in High Dimensional Problems / CEMRACS 2021: Assimilation de données et réduction de modèle pour des problêmes en grande dimensionOrganisateurs de la rencontre : Ehrlacher, Virginie ; Lombardi, Damiano ; Mula Hernandez, Olga ; Nobile, Fabio ; Taddei, Tommaso Dates : 19/07/2021 - 20/08/2021 Année de la rencontre : 2021 URL Congrès : https://conferences.cirm-math.fr/2412.html
Données de citation
DOI : 10.24350/CIRM.V.19788103Citer cette vidéo: Lelièvre, Tony (2021). How to compute transition times?. CIRM. Audiovisual resource. doi:10.24350/CIRM.V.19788103 URI : http://dx.doi.org/10.24350/CIRM.V.19788103 |
Voir aussi
- [Multi angle] Bayesian data assimilation and filtering - lecture 2 / Auteur de la Conférence Schillings, Claudia.
- [Multi angle] Coupling models instead of coupling codes: two toy examples / Auteur de la Conférence Lafitte, Olivier.
- [Virtualconference] Statistical theory for deep neural networks - lecture 2 / Auteur de la Conférence Schmidt-Hieber, Johannes.
- [Virtualconference] Statistical theory for deep neural networks - lecture 1 / Auteur de la Conférence Schmidt-Hieber, Johannes.
- [Multi angle] Approximation and learning with tree tensor networks - lecture 2 / Auteur de la Conférence Nouy, Anthony.
- [Multi angle] Approximation and learning with tree tensor networks - lecture 1 / Auteur de la Conférence Nouy, Anthony.
- [Virtualconference] Bayesian methods for inverse problems - lecture 2 / Auteur de la Conférence Dashti, Masoumeh.
- [Multi angle] Theory of approximation of high-dimensional functions - lecture 2 / Auteur de la Conférence Cohen, Albert.
Bibliographie
- CÉROU, Frédéric, GUYADER, Arnaud, LELIEVRE, Tony, et al. A multiple replica approach to simulate reactive trajectories. The Journal of chemical physics, 2011, vol. 134, no 5, p. 054108. - https://doi.org/10.1063/1.3518708
- BRÉHIER, Charles-Edouard, GAZEAU, Maxime, GOUDENÈGE, Ludovic, et al. Unbiasedness of some generalized adaptive multilevel splitting algorithms. The Annals of Applied Probability, 2016, vol. 26, no 6, p. 3559-3601. - http://dx.doi.org/10.1214/16-AAP1185
- TEO, Ivan, MAYNE, Christopher G., SCHULTEN, Klaus, et al. Adaptive multilevel splitting method for molecular dynamics calculation of benzamidine-trypsin dissociation time. Journal of chemical theory and computation, 2016, vol. 12, no 6, p. 2983-2989. - https://doi.org/10.1021/acs.jctc.6b00277
- BAUDEL, Manon, GUYADER, Arnaud, et LELIÈVRE, Tony. On the Hill relation and the mean reaction time for metastable processes. arXiv preprint arXiv:2008.09790, 2020. - https://arxiv.org/abs/2008.09790
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