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• Towards Deeper Graph Neural Networks
  2020 · 501 citations
• TrustLLM: Trustworthiness in Large Language Models
  2024 · 53 citations
• Learning Task-relevant Representations for Generalization via Characteristic Functions of Reward Sequence Distributions
  2022 · 25 citations
• Iterative Distillation for Reward-Guided Fine-Tuning of Diffusion Models in Biomolecular Design
  2025 · 6 citations
• A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures
  2025 · 6 citations
• Learning to Discover Regulatory Elements for Gene Expression Prediction
  2025 · 5 citations
• Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding
  2024 · 2 citations
• Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics
  2025
• Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials
  2025
• Language Models for Controllable DNA Sequence Design
  2025
• Non-Local Graph Neural Networks
  2020
• XGNN: Towards Model-Level Explanations of Graph Neural Networks
  2020