Ya-Peng Zhan

PolyFKAN: Integrating Fourier-KAN layers into graph neural networks for polymer property prediction.

Graph neural networks have become a central tool for polymer property prediction, but their fixed activation functions can impose a low-pass spectral bias that smooths over the sharp, multi-scale structure-property variations that distinguish chemically similar polymers. We address this limitation with PolyFKAN, a mult...