fig7
Figure 7. The mean absolute error (MAE) of replacing MLPs in various components of the Allegro model with KANs on the Ag dataset. All three Allegro models using KANs demonstrated lower force and energy MAE than the original Allegro model with MLPs. Remarkably, the Allegro model incorporating KANs in the output block achieved the highest prediction accuracy. MLPs: Multi-layer perceptrons; KANs: Kolmogorov-Arnold Networks.