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[14]
Figure 3. Architectures of SOTA ML-IAP models. (A) NequIP, a data-efficient E(3)-equivariant GNN ; (B) CHGNet, a crystal
[54] [40] [38]
Hamiltonian GNN ; (C) eSEN, a smooth, expressive ML- IAP ; (D) SevenNet-MF, a multi-fidelity equivariant GNN ; (E)
EquiformerV2, an improved equivariant transformer [56] . SOTA: State-of-the-art; ML-IAP: machine learning interatomic potential; GNN:
graph neural network; eSEN: equivariant smooth energy network.
