Equivariant cellular sheaves for molecular electronic structure; bridging sheaf cohomology and E(3)-equivariant Hamiltonian learning
Read the original at arxiv.org→arXiv:2608.23571v1 Announce Type: new Abstract: Equivariant message-passing networks are the standard model for molecular property and interatomic-potential prediction, and recent work predicts the electronic...
Original headline: "Equivariant Cellular Sheaves for Molecular Electronic Structure: Bridging Sheaf Cohomology and E(3)-Equivariant Hamiltonian Learning"
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- Aug 26, 04:00 UTC arXiv cs.LG lead source Equivariant Cellular Sheaves for Molecular Electronic Structure: Bridging Sheaf Cohomology and E(3)-Equivariant Hamiltonian Learning