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    Cheby-KANs: Advanced Kolmogorov–Arnold Networks for Applying Geometric Deep Learning in Quantum Chemistry Applications

    Cheby-KANs: Advanced Kolmogorov–Arnold Networks for Applying Geometric Deep Learning in Quantum Chemistry Applications by Amgad Abdallah Mahmoud, Andreas Pester, Maha M. Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali

    Published 2025-01-01

    In this work, we present an enhanced version of the Kolmogorov–Arnold network (KAN) algorithm, called Cheby-KAN, that offers a more efficient, more reliable, and faster alternative to conventional KANs. We integrated our algorithm with a geometric deep learning model (SchNet) to assess th...

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