Edge Cluster Expansion with Radial Rotary Attention for Interatomic Potentials
In this paper, we provide a systematic investigation of SO(2) theory to machine learning interatomic potentials (MLIPs) and identify the limitations of conventional SO(2) Linear architectures relative to SO(3) Clebsch-Gordan Tensor Products (CGTP). Building on these insights, we propose direct Cartesian construction and recursive Clebsch-Gordan construction of Wigner D-matrices and introduce two novel interaction building blocks. First, we propose the Edge Complex Product Basis based on Generalized Asymmetric Contraction, a new formulation for many-body expansion that directly constructs higher-order interactions on edges through complex-valued equivariant multiplications. Second, we intr...
| Authors | Zemin Xu, Wenbo Xie, P. Hu |
|---|---|
| Primary category | stat.ML |
| Published | 12 July 2026 |
| Last updated at source | 12 July 2026 |
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