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math.NA2026
Efficient construction of Lie group-equivariant and permutation-invariant spaces
Eloïse Barthelemy, Geneviève Dusson, Camille Hernandez +1
We introduce a practical construction of group-equivariant and permutation-invariant functions of variables given a finite-dimensional space stable with respect to the group ac…
physics.chem-ph2026
Machine learning of electronic structure and atomistic properties from the external potential
Jigyasa Nigam, Tess Smidt, Geneviève Dusson
Electronic structure calculations remain a major bottleneck in atomistic simulations and, not surprisingly, have attracted significant attention in machine learning (ML). Most exis…