3 papers
cs.LG2026
Reliability of Probabilistic Emulation of Physical Systems
Sam F. Greenbury, Radka Jersakova, Paolo Conti +4
Two dominant approaches have emerged for generating probabilistic forecasts of physical systems: generative models, such as diffusion or flow matching; and ensembles of determinist…
cs.LG2025
Energy-Based Flow Matching for Generating 3D Molecular Structure
Wenyin Zhou, Christopher Iliffe Sprague, Vsevolod Viliuga +3
Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molec…
cs.LG2024
Hessian-Informed Flow Matching
Christopher Iliffe Sprague, Arne Elofsson, Hossein Azizpour
Modeling complex systems that evolve toward equilibrium distributions is important in various physical applications, including molecular dynamics and robotic control. These systems…