2 papers
cs.LG2025
E(3)-equivariant models cannot learn chirality: Field-based molecular generation
Alexandru Dumitrescu, Dani Korpela, Markus Heinonen +4
Obtaining the desired effect of drugs is highly dependent on their molecular geometries. Thus, the current prevailing paradigm focuses on 3D point-cloud atom representations, utili…
cs.LG2025
Learning Spatiotemporal Dynamical Systems from Point Process Observations
Valerii Iakovlev, Harri Lähdesmäki
Spatiotemporal dynamics models are fundamental for various domains, from heat propagation in materials to oceanic and atmospheric flows. However, currently available neural network…