COLM 2026 RetroAgent: Harnessing LLMs to Search Over Structured Memory for Agentic Retrosynthesis Planning Yanqiao Zhu*,Jingru Gan*,Xiaoqi Sun,Fang Sun,Yidan Shi,Md Mofijul Islam,Chao Shang,Wenhao Gao,Connor W. Coley,Yizhou Sun,Wei Wang AI for Science LLM Agents Reinforcement Learning Planning Paper Model Poster Code Reviews bibTeX
NeurIPS 2025 Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning Yanqiao Zhu*,Yidan Shi*,Yuanzhou Chen,Fang Sun,Yizhou Sun,Wei Wang AI for Science Molecules Representation Learning Paper Slides Poster Code Reviews bibTeX
ICML 2024 SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Models Xiaoxuan Wang*,Ziniu Hu*,Pan Lu*,Yanqiao Zhu*,Jieyu Zhang,Satyen Subramaniam,Arjun R. Loomba,Shichang Zhang,Yizhou Sun,Wei Wang Benchmarks AI for Science Reasoning Paper Data Press Reviews bibTeX
ICLR 2024 Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu,Jeehyun Hwang,Keir Adams,Zhen Liu,Bozhao Nan,Brock Anton Stenfors,Yuanqi Du,Jatin Chauhan,Olaf Wiest,Olexandr Isayev,Connor W. Coley,Yizhou Sun,Wei Wang Benchmarks AI for Science Molecules Representation Learning Paper Slides Poster Code Reviews bibTeX
NeurIPS 2023 Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen*,Yanqiao Zhu*,Jieyu Zhang,Yuanqi Du,Zhixun Li,Qiang Liu,Shu Wu,Liang Wang AI for Science Scaling Laws Molecules Representation Learning Paper Poster Code Reviews bibTeX
IJCAI 2023 A Systematic Survey of Chemical Pre-trained Models Jun Xia*,Yanqiao Zhu*,Yuanqi Du*,Stan Z. Li Survey AI for Science Molecules Pretraining Paper bibTeX
LoG 2022 A Survey on Deep Graph Generation: Methods and Applications Yanqiao Zhu*,Yuanqi Du*,Yinkai Wang*,Yichen Xu,Jieyu Zhang,Qiang Liu,Shu Wu Survey Graphs Generative Models Paper Poster Reviews bibTeX
MICCAI 2022 Oral Interpretable Graph Neural Networks for Connectome-Based Brain Disorder Analysis Hejie Cui,Wei Dai,Yanqiao Zhu,Xiaoxiao Li,Lifang He,Carl Yang AI for Healthcare Graphs Interpretability Paper Code Poster Video bibTeX
NeurIPS 2021 An Empirical Study of Graph Contrastive Learning Yanqiao Zhu,Yichen Xu,Qiang Liu,Shu Wu Benchmarks Graphs Representation Learning Paper Appendix Reviews Code Video Slides Poster bibTeX
ACMMM 2021 Oral Mining Latent Structures for Multimedia Recommendation Jinghao Zhang*,Yanqiao Zhu*,Qiang Liu,Shu Wu,Shuhui Wang,Liang Wang Recommendation Graphs Paper Code Slides bibTeX
WWW 2021 Oral Graph Contrastive Learning with Adaptive Augmentation Yanqiao Zhu*,Yichen Xu*,Feng Yu,Qiang Liu,Shu Wu,Liang Wang Graphs Representation Learning Blog Paper Code Slides Video bibTeX
AAAI 2019 Oral Session-based Recommendation with Graph Neural Networks Shu Wu,Yuyuan Tang,Yanqiao Zhu,Liang Wang,Xing Xie,Tieniu Tan Recommendation Graphs Blog Paper Code Slides Poster bibTeX
J. Chem. Inf. Model. 2024 Molecular Contrastive Pretraining with Collaborative Featurizations Yanqiao Zhu*,Dingshuo Chen*,Yuanqi Du*,Yingze Wang,Qiang Liu,Shu Wu AI for Science Molecules Pretraining Representation Learning Paper Code bibTeX
IEEE Trans. Knowl. Data Eng. 2023 Latent Structure Mining with Contrastive Modality Fusion for Multimedia Recommendation Jinghao Zhang,Yanqiao Zhu,Qiang Liu,Mengqi Zhang,Shu Wu,Liang Wang Recommendation Graphs Paper Code bibTeX
IEEE Trans. Med. Imaging 2023 BrainGB: A Benchmark for Brain Network Analysis with Graph Neural Networks Hejie Cui,Wei Dai,Yanqiao Zhu,Xuan Kan,Antonio Aodong Chen Gu,Joshua Lukemire,Liang Zhan,Lifang He,Ying Guo,Carl Yang Benchmarks AI for Healthcare Graphs Paper Website Code bibTeX
