2 papers
cs.LG2026
LatentFlow: Visual Analytics for Latent Space Analysis in Molecular Graph Neural Networks
Shiyi Liu, Jiaqing Chen, Nicholas Hadler +6
Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their react…
cs.LG2025
Hierarchical Multi-Label Contrastive Learning for Protein-Protein Interaction Prediction Across Organisms
Shiyi Liu, Buwen Liang, Yuetong Fang +2
Recent advances in AI for science have highlighted the power of contrastive learning in bridging heterogeneous biological data modalities. Building on this paradigm, we propose HIP…