Estimation and uncertainty of reversible Markov models

Estimation and uncertainty of reversible Markov models

19 July 2015

Benjamin Trendelkamp-Schroer

Frank Noé

Papers citing "Estimation and uncertainty of reversible Markov models"

14 / 14 papers shown

Title
Non-asymptotic Estimates for Markov Transition Matrices with Rigorous Error Bounds De Huang Xiangyuan Li 25 1 0 12 Aug 2024
Implicit Transfer Operator Learning: Multiple Time-Resolution Surrogates for Molecular Dynamics M. Schreiner Ole Winther Simon Olsson OOD AI4CE 46 13 0 29 May 2023
Controlling Uncertainty of Empirical First-Passage Times in the Small-Sample Regime Rick Bebon A. Godec 21 0 0 20 Jan 2023
Deeptime: a Python library for machine learning dynamical models from time series data Moritz Hoffmann Martin K. Scherer Tim Hempel Andreas Mardt Brian M. de Silva ... Stefan Klus Hao Wu N. Kutz Steven L. Brunton Frank Noé AI4CE 33 101 0 28 Oct 2021
Unbiased estimation of equilibrium, rates, and committors from Markov state model analysis John D. Russo J. Copperman D. Aristoff G. Simpson D. Zuckerman 15 3 0 27 May 2021
Coarse Graining Molecular Dynamics with Graph Neural Networks B. Husic N. Charron Dominik Lemm Jiang Wang Adria Pérez ... Yaoyi Chen Simon Olsson Gianni De Fabritiis Frank Noé C. Clementi AI4CE 40 158 0 22 Jul 2020
Machine learning for protein folding and dynamics Frank Noé Gianni De Fabritiis C. Clementi AI4CE 21 137 0 22 Nov 2019
High-resolution Markov state models for the dynamics of Trp-cage miniprotein constructed over slow folding modes identified by state-free reversible VAMPnets Hythem Sidky Wei Chen Andrew L. Ferguson 13 54 0 12 Jun 2019
Capabilities and Limitations of Time-lagged Autoencoders for Slow Mode Discovery in Dynamical Systems Wei Chen Hythem Sidky Andrew L. Ferguson 25 36 0 02 Jun 2019
Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets Wei Chen Hythem Sidky Andrew L. Ferguson 11 95 0 09 Feb 2019
Machine Learning for Molecular Dynamics on Long Timescales Frank Noé AI4CE 23 32 0 18 Dec 2018
Variational Selection of Features for Molecular Kinetics Martin K. Scherer B. Husic Moritz Hoffmann Fabian Paul Hao Wu Frank Noé 13 50 0 28 Nov 2018
VAMPnets: Deep learning of molecular kinetics Andreas Mardt Luca Pasquali Hao Wu Frank Noé 27 534 0 16 Oct 2017
Variational Koopman models: slow collective variables and molecular kinetics from short off-equilibrium simulations Hao Wu Feliks Nuske Fabian Paul Stefan Klus P. Koltai Frank Noé 107 126 0 20 Oct 2016