fig5

Figure 5. Replacing MLPs in the output block of the ETGNN model^[21] with KANs employing B-spline and Gaussian basis functions. e and α stand for the lengths of the edges and the angles between the edges in the cluster. Replacing the MLP in the output block with a KAN using Gaussian basis functions significantly improves prediction accuracy while also reducing training time. MLPs: Multi-layer perceptrons; KANs: Kolmogorov-Arnold Networks; ETGNN: Tensor prediction networks.