Periodic Topological Deep Learning for Polymer Design and Discovery 事件

Periodic Topological Deep Learning for Polymer Design and Discovery arXiv:2605.26833v1 Announce Type: cross Abstract: Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging. Most machine learning approaches represent polymers as molecular graphs of a single repeating unit, thereby missing both the periodicity of polymer chains and many-body interactions beyond pairwise bonds. We introduce Periodic-TDL