Element-Weighted KANs achieve state-of-the-art accuracy on formation energy, band gap, and work function while revealing periodic-table-aligned chemical trends through their learnable activation functions.
2024-11.https://arxiv.org/abs/2411.08414, (accessed 2026-03-19)
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Interpretation of Crystal Energy Landscapes with Kolmogorov-Arnold Networks
Element-Weighted KANs achieve state-of-the-art accuracy on formation energy, band gap, and work function while revealing periodic-table-aligned chemical trends through their learnable activation functions.