Tag: Equivariant Neural Networks

Quantum/Chemistry

Proposes using ordinary multilayer perceptrons with finite-group averaging to achieve exact equivariant surrogate models for correlated electron systems, enabling efficient force and transition energy evaluations.

ScientificML

Proposes a triply-scalable equivariant Gaussian process method that encodes symmetries while maintaining probabilistic predictions and uncertainty quantification for large-scale scientific computing.