Symmetry-Driven Discovery of Dynamical Variables in Molecular Simulations.

Jeet Mohapatra Nima Dehmamy Csaba Both Subhro Das Tommi Jaakkola Symmetry-Driven Discovery of Dynamical Variables in Molecular Simulations. 2025 ICML https://proceedings.mlr.press/v267/mohapatra25a.html https://openreview.net/forum?id=VPHFKbhJIJ conf/icml/2025 db/conf/icml/icml2025.html#MohapatraDBDJ25