Post hoc averaging a trained neural wavefunction over diagonal crystal symmetries improves VMC energies and symmetry, while in-training symmetrization at fixed compute can inflate gradient variance.
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Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schr\"odinger Equation
Post hoc averaging a trained neural wavefunction over diagonal crystal symmetries improves VMC energies and symmetry, while in-training symmetrization at fixed compute can inflate gradient variance.