Yuki Nagai

AccelNet: Exact backward-compatible acceleration of polynomial angular descriptors through Cartesian moment factorization

We present AccelNet, an exact, backward-compatible method for accelerating existing trained aenet and n2p2 neural-network potentials without retraining. For angular terms with separable one-neighbor weights and a finite polynomial dependence on $\cos \theta$, the method exploits their hidden finite-rank structure to re...