Diffusion posterior sampling for simulation-based inference in tall data settings

1 code implementation • 11 Apr 2024 • Julia Linhart, Gabriel Victorino Cardoso, Alexandre Gramfort, Sylvain Le Corff, Pedro L. C. Rodrigues

Determining which parameters of a non-linear model could best describe a set of experimental data is a fundamental problem in science and it has gained much traction lately with the rise of complex large-scale simulators (a. k. a.

Generative methods for sampling transition paths in molecular dynamics

no code implementations • 5 May 2022 • Tony Lelièvre, Geneviève Robin, Inass Sekkat, Gabriel Stoltz, Gabriel Victorino Cardoso

Molecular systems often remain trapped for long times around some local minimum of the potential energy function, before switching to another one -- a behavior known as metastability.

reinforcement-learning Reinforcement Learning (RL)