Wen-Bo Xie

Edge Cluster Expansion with Radial Rotary Attention for Interatomic Potentials

This paper proposes 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 and introduces Radial Rotary Complex Attention (RRA), which enhances extrapolation performance and surpasses existing attention vector formulations.