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A Framework of SO(3)-equivariant Non-linear Representation Learning and its Application to Electronic-Structure Hamiltonian Prediction
We present both a theoretical and a methodological framework that addresses a critical challenge in applying deep learning to physical systems: the reconciliation of non-linear expressiveness with SO(3)-equivariance in predictions of SO(3)-equivariant quantities, such as the electronic-structure Hamiltonian.
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