Preprint
Oct 2026
TopoLIA: Topology-Inspired Latent Interaction Attention for Drug Discovery
The growing sophistication of drug discovery calls for new advances in artificial intelligence (AI). Transformers have underpinned recent breakthroughs in AI, yet their conventional source-target attention mechanism can become a bottleneck for modeling complex interactions. Here, we introduce TopoLIA, a topology-inspir...
Xiang Liu, Yi-Ming Ren, Mustafa Hajij et al.
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