no code implementations • ICML 2020 • Jonas Köhler, Leon Klein, Frank Noe
We provide a theoretical sufficient criterium showing that the distribution generated by \textit{equivariant} normalizing flows is invariant with respect to these symmetries by design.
1 code implementation • NeurIPS 2023 • Leon Klein, Andrew Y. K. Foong, Tor Erlend Fjelde, Bruno Mlodozeniec, Marc Brockschmidt, Sebastian Nowozin, Frank Noé, Ryota Tomioka
Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$).
no code implementations • 3 Jun 2020 • Jonas Köhler, Leon Klein, Frank Noé
We provide a theoretical sufficient criterion showing that the distribution generated by \textit{equivariant} normalizing flows is invariant with respect to these symmetries by design.
no code implementations • 2 Oct 2019 • Jonas Köhler, Leon Klein, Frank Noé
Flows are exact-likelihood generative neural networks that transform samples from a simple prior distribution to the samples of the probability distribution of interest.
