Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics

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 ($1\textrm{fs}=10^{-15}\textrm{s}$).

Bijectors.jl: Flexible transformations for probability distributions

1 code implementation • pproximateinference AABI Symposium 2019 • Tor Erlend Fjelde, Kai Xu, Mohamed Tarek, Sharan Yalburgi, Hong Ge

Transforming one probability distribution to another is a powerful tool in Bayesian inference and machine learning.

Bayesian Inference Variational Inference