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q-bio.BM2026
TopoLIA: Topology-Inspired Latent Interaction Attention for Drug Discovery
Xiang Liu, Yiming Ren, Mustafa Hajij +2
The growing sophistication of drug discovery calls for new advances in artificial intelligence (AI). Transformers have underpinned recent breakthroughs in AI, yet their conventiona…
q-bio.BM2026
Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction
Yiming Ren, Xiang Liu, Mustafa Hajij +2
Existing molecular and materials learning approaches often rely on a limited set of structural representations, which may capture only selected aspects of complex three-dimensional…