fig3

Figure 3. Architectures of SOTA ML-IAP models. (A) NequIP, a data-efficient E(3)-equivariant GNN^[14]; (B) CHGNet, a crystal Hamiltonian GNN^[54]; (C) eSEN, a smooth, expressive ML-IAP^[40]; (D) SevenNet-MF, a multi-fidelity equivariant GNN^[38]; (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.