Fine-tuning three Hamiltonian networks on QH9 in this way, which the authors call FermiScope, reduces the HOMO-LUMO gap error without increasing the element-wise error.
Fang Sun, He Cheng, Ruo-Yan Li et al.· 0 citations
Convolutional Residual Global Interactions (øurs), which projects particle features to an Eulerian grid, applies residual global updates, and maps them back to particles, and outperforms GNS by 47% on average, supporting the hypothesis that jointly modeling coarse and fine interactions is an effective strategy for neur...
Ethan Ji, Yuan-Zhou Chen, Arush Ramteke et al.· Knowledge Discovery and Data...· 1 citation· ⚡1
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