fig7

Efficient prediction of potential energy surface and physical properties with Kolmogorov-Arnold Networks

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.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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