Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics.

Christoph Wehmeyer Frank Noé

Published in: CoRR (2017)

Keyphrases

deep learning
restricted boltzmann machine
deep belief networks
unsupervised learning
machine learning
unsupervised feature learning
denoising
weakly supervised
chemical reaction
chemical reactions
multiscale
mental models
decision making
feature space
deep architectures