Paper recorded by Signals 4 on 2026-10-01 in cs.AI. Abstract reproduced from arXiv; link to the original below.
Published 2026-10-01 on arXiv · recorded by Signals 4 on 2026-10-02
Category: cs.AI · 人工智能 · first seen 2026-10-02
Molecular learning models are strongly shaped by their underlying representations. Yet standard sequential and graph formalisms struggle to explicitly encode higher-order topology, such as ring systems and recurring motifs. Existing higher-order representations can capture these structures directly, but they are often computationally demanding and difficult to decode into valid molecules. Here, we