Jie Chen

Graph Diffusion Transformers are In-Context Molecular Designers

Cross-Domain Pre-training of Transformers on Text-Attributed Graphs via Random Walks

Graph-of-Agents: A Graph-based Framework for Multi-Agent LLM Collaboration

Rectifying Adaptive Learning Rate Variance via Confidence Estimation

Scientific Algorithm Discovery by Augmenting AlphaEvolve with Deep Research

Neighborhood Sampling Does Not Learn the Same Graph Neural Network

GPTOpt: Towards Efficient LLM-based Black-Box Optimization

Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

Procedural Synthesis of Synthesizable Molecules

Lessons Learned: A Multi-Agent Framework for Code LLMs to Learn and Improve

Directed Graph Grammars for Sequence-based Learning

Graph Neural Preconditioners for Iterative Solutions of Sparse Linear Systems

Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages

Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages