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• Graph Diffusion Transformers are In-Context Molecular Designers
  2025
• MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning
  2025
• Learning Repetition-Invariant Representations for Polymer Informatics
  2025
• Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages
  2025
• Directed Graph Grammars for Sequence-based Learning
  2025
• Graph Data Augmentation for Graph Machine Learning: A Survey
  2022
• Graph Rationalization with Environment-based Augmentations
  2022
• Data-Centric Learning from Unlabeled Graphs with Diffusion Model
  2023
• Semi-Supervised Graph Imbalanced Regression
  2023
• Motif-aware Attribute Masking for Molecular Graph Pre-training
  2023
• Large Language Models on Graphs: A Comprehensive Survey
  2023
• Graph Diffusion Transformers for Multi-Conditional Molecular Generation
  2024
• Graph Learning for Parameter Prediction of Quantum Approximate Optimization Algorithm
  2024
• Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
  2024