Showing cs.LGShow all
3 papers · 1 filter
cs.LG2025
Resolving Node Identifiability in Graph Neural Processes via Laplacian Spectral Encodings
Zimo Yan, Zheng Xie, Chang Liu +1
Message passing graph neural networks are widely used for learning on graphs, yet their expressive power is limited by the one-dimensional Weisfeiler-Lehman test and can fail to di…
cs.LG2025
A Multi-Scale Graph Neural Process with Cross-Drug Co-Attention for Drug-Drug Interactions Prediction
Zimo Yan, Jie Zhang, Zheng Xie +2
Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural…
cs.LG2025
MetaMolGen: A Neural Graph Motif Generation Model for De Novo Molecular Design
Zimo Yan, Jie Zhang, Zheng Xie +3
Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achi…