Tootfinder

Beyond Scaling: Chemical Intuition as Emergent Ability of Universal Machine Learning Interatomic Potentials
Shinnosuke Hattori, Kohei Shimamura, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Ken-ichi Nomura
https://arxiv.org/abs/2506.07579

Beyond Scaling: Chemical Intuition as Emergent Ability of Universal Machine Learning Interatomic Potentials
Machine Learning Interatomic Potentials (MLIPs) have successfully demonstrated scaling behavior, i.e. the power-law improvement in training performance, however the emergence of novel capabilities at scale remains unexplored. We have developed Edge-wise Emergent Decomposition (E3D) framework to investigate how an MLIP develops the ability to derive physically meaningful local representations of chemical bonds without explicit supervision. Employing an E(3)-equivariant network (Allegro) trained …

Posted my shrimp food recipe to my blog at #nanotank @… #neocaridina @… #aquarium @… #shrimptank @…