Group by:

Date |

Item TypeNumber of items: **26**.

## Article

Noé, F. and Olsson, S. and Köhler, J. and Wu, H.
(2019)
*Boltzmann Generators: Sampling Equilibrium States of Many-Body Systems with Deep Learning.*
Science, 365
(6457).
eaaw1147.

Paul, F. and Wu, H. and Vossel, M. and de Groot, B.L. and Noé, F.
(2019)
*Identification of kinetic order parameters for non-equilibrium dynamics.*
J. Chem. Phys., 150
(16).
p. 164120.
ISSN 0021-9606, ESSN: 1089-7690

Scherer, M. K. and Husic, B.E. and Hoffmann, M. and Paul, F. and Wu, H. and Noé, F.
(2018)
*Variational Selection of Features for Molecular Kinetics.*
SFB 1114 Preprint in arXiv:1811.11714
.
pp. 1-12.
(Unpublished)

Koltai, P. and Wu, H. and Noé, F. and Schütte, Ch.
(2018)
*Optimal data-driven estimation of generalized Markov state models for non-equilibrium dynamics.*
Computation, 6(1)
(22).
ISSN 2079-3197 (online)

Klus, S. and Nüske, F. and Koltai, P. and Wu, H. and Kevrekidis, I. and Schütte, Ch. and Noé, F.
(2018)
*Data-driven model reduction and transfer operator approximation.*
Journal of Nonlinear Science, 28
(1).
pp. 1-26.

Mardt, A. and Pasquali, L. and Wu, H. and Noé, F.
(2018)
*VAMPnets: Deep learning of molecular kinetics.*
Nat. Comm., 9
.
p. 5.

Paul, F. and Wehmeyer, C. and Abualrous, E. T. and Wu, H. and Crabtree, M. D. and Schöneberg, J. and Clarke, J. and Freund, C. and Weikl, T. and Noé, F.
(2017)
*Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations.*
Nat. Comm., 8
(1095).

Olsson, Simon and Wu, H. and Paul, F. and Clementi, C. and Noé, F.
(2017)
*Combining experimental and simulation data of molecular processes via augmented Markov models.*
Proc. Natl. Acad. Sci. USA, 114
.
pp. 8265-8270.

Nüske, F. and Wu, H. and Wehmeyer, C. and Clementi, C. and Noé, F.
(2017)
*Markov State Models from short non-Equilibrium Simulations - Analysis and Correction of Estimation Bias.*
J. Chem. Phys., 146
.
094104.

Wu, H. and Nüske, F. and Paul, F. and Klus, S. and Koltai, Péter and Noé, F.
(2017)
*Variational Koopman models: slow collective variables and molecular kinetics from short off-equilibrium simulations.*
J. Chem. Phys., 146
.
p. 154104.

Wu, H. and Paul, F. and Wehmeyer, C. and Noé, F.
(2016)
*Multiensemble Markov models of molecular thermodynamics and kinetics.*
Proceedings of the National Academy of Sciences, 113
(23).
E3221-E3230 .
ISSN 0027-8424

Trendelkamp-Schroer, B. and Wu, H. and Noé, F.
(2016)
*Reversible Markov chain estimation using convex-concave programming.*
arXiv
.
1603.01640.

Wu, H. and Noé, F.
(2016)
*Spectral learning of dynamic systems from nonequilibrium data.*
NIPS, 29
.
pp. 4179-4187.

Trendelkamp-Schroer, B. and Wu, H. and Paul, F. and Noé, F.
(2015)
*Estimation and uncertainty of reversible Markov models.*
J. Chem. Phys., 143
(17).
p. 174101.

Wu, H. and Noé, F.
(2015)
*Gaussian Markov transition models of molecular kinetics.*
J. Chem. Phys., 142
(8).
084104.

Wu, H.
(2015)
*Maximum Margin Clustering for State Decomposition of Metastable Systems.*
Neurocomputing, 164
.
pp. 5-22.
ISSN 0925-2312

Wu, H. and Prinz, J.-H. and Noé, F.
(2015)
*Projected Metastable Markov Processes and Their Estimation with Observable Operator Models.*
J. Chem. Phys., 143
(14).
p. 144101.

Wu, H. and Mey, A.S.J.S. and Rosta, E. and Noé, F.
(2014)
*Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.*
J. Chem. Phys., 141
(21).
p. 214106.

Mey, A.S.J.S. and Wu, H. and Noé, F.
(2014)
*xTRAM: Estimating equilibrium expectations from time-correlated simulation data at multiple thermodynamic states.*
Phys. Rev. X, 4
(4).
041018.

Wu, H. and Noé, F.
(2014)
*Optimal estimation of free energies and stationary densities from multiple biased simulations.*
SIAM Multiscale Model. Simul., 12
.
pp. 25-54.

Noé, F. and Wu, H. and Prinz, J.-H. and Plattner, N.
(2013)
*Projected and Hidden Markov Models for calculating kinetics and metastable states of complex molecules.*
J. Chem. Phys., 139
.
p. 184114.

Prinz, J.-H. and Wu, H. and Sarich, M. and Keller, B. and Senne, M. and Held, M. and Chodera, J. D. and Schütte, Ch. and Noé, F.
(2011)
*Markov models of molecular kinetics: Generation and Validation.*
J. Chem. Phys., 134
.
p. 174105.

Wu, H. and Noé, F.
(2011)
*Bayesian framework for modeling diffusion processes with nonlinear drift based on nonlinear and incomplete observations.*
Phys. Rev. E, 83
(3).
036705.

Wu, H. and Noé, F.
(2011)
*A flat Dirichlet process switching model for Bayesian estimation of hybrid systems.*
Procedia Computer Science, 4
.
pp. 1393-1402.

Wu, H. and Noé, F.
(2010)
*Maximum a posteriori estimation for Markov chains based on Gaussian Markov random fields.*
Procedia Computer Science, 1
(1).
pp. 1665-1673.

Wu, H. and Noé, F.
(2010)
*Probability Distance Based Compression of Hidden Markov Models.*
Multiscale Model. Simul., 8
.
pp. 1838-1861.

This list was generated on **Mon Sep 9 20:19:33 2024 CEST**.