Predicting Rare Event Kinetics in Complex Systems with Theory, Simulations and Machine Learning I
FOCUS · B26 · ID: 381586
Presentations
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News Approaches for Boltzmann Generators: Sampling Equilibrium States of Many-Body Systems
Invited
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Presenters
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Frank Noe
Freie Universität Berlin, Freie Univ Berlin
Authors
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Frank Noe
Freie Universität Berlin, Freie Univ Berlin
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Molecular Latent Space Simulators
Invited
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Presenters
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Andrew Ferguson
University of Chicago, Pritzker School of Molecular Engineering, University of Chicago
Authors
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Andrew Ferguson
University of Chicago, Pritzker School of Molecular Engineering, University of Chicago
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Wei Chen
University of Illinois
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Hythem Sidky
University of Chicago
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Learning with rare data: Using active importance sampling to optimize objectives dominated by rare events
ORAL
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Presenters
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Grant Rotskoff
Stanford Univ
Authors
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Grant Rotskoff
Stanford Univ
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Eric Vanden-Eijnden
New York Univ NYU, Courant Institute of Mathematical Sciences, New York University
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State Predictive Information Bottleneck
ORAL
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Presenters
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Dedi Wang
University of Maryland, College Park
Authors
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Dedi Wang
University of Maryland, College Park
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Pratyush Tiwary
University of Maryland, University of Maryland, College Park
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Shaping rare events away from equilibrium: bounds on transition rate enhancement and a new take on optimal control of reaction rates.
ORAL
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Presenters
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Benjamin Kuznets-Speck
University of California, Berkeley
Authors
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Benjamin Kuznets-Speck
University of California, Berkeley
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David Limmer
University of California, University of California, Berkeley
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Rare Event Rates From Probability Distributions
ORAL
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Presenters
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Jayashrita Debnath
Department of Chemistry and Applied Biosciences, ETH Zurich and Istituto Italiano di Tecnologia,Genova
Authors
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Jayashrita Debnath
Department of Chemistry and Applied Biosciences, ETH Zurich and Istituto Italiano di Tecnologia,Genova
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Michele Parrinello
Atomistic Simulations, Italian Institute of Technology, Istituto Italiano di Tecnologia,Genova
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Phase Transitions, Molecular Simulations and Machine Learning
Invited
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Presenters
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Sapna Sarupria
Department of Chemical and Biomolecular Engineering, Clemson University
Authors
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Sapna Sarupria
Department of Chemical and Biomolecular Engineering, Clemson University
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Learning molecular dynamics with simple language model built upon long short-term memory neural network
ORAL
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Presenters
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SUN-TING TSAI
University of Maryland, College Park
Authors
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SUN-TING TSAI
University of Maryland, College Park
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Pratyush Tiwary
University of Maryland, University of Maryland, College Park
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Data Driven characterisation of the Free Energy Landscape of Syndiotatic Polysterene
ORAL
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Presenters
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Atreyee Banerjee
Max Planck Institute for Polymer Research
Authors
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Atreyee Banerjee
Max Planck Institute for Polymer Research
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Yasemin Bozkurt Varolgünes
Max Planck Institute for Polymer Research
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Joseph F Rudzinski
Max Planck Institute for Polymer Research
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Tristan Bereau
University of Amsterdam, Van 't Hoff Institute for Molecular Sciences and Informatics Institute, University of Amsterdam, Van ‘t Hoff Institute for Molecular Sciences, Informatics Institute, University of Amsterdam
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