Zhu, Yanqiao

20 publications

ICLR 2025 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICLRW 2025 Large Language Models Are Innate Crystal Structure Generators Jingru Gan, Peichen Zhong, Yuanqi Du, Yanqiao Zhu, Chenru Duan, Haorui Wang, Daniel Schwalbe-Koda, Carla P Gomes, Kristin Persson, Wei Wang

NeurIPS 2025 MMAR: A Challenging Benchmark for Deep Reasoning in Speech, Audio, Music, and Their Mix Ziyang Ma, Yinghao Ma, Yanqiao Zhu, Chen Yang, Yi-Wen Chao, Ruiyang Xu, Wenxi Chen, Yuanzhe Chen, Zhuo Chen, Jian Cong, Kai Li, Keliang Li, Siyou Li, Xinfeng Li, Xiquan Li, Zheng Lian, Yuzhe Liang, Minghao Liu, Zhikang Niu, Tianrui Wang, Yuping Wang, Yuxuan Wang, Yihao Wu, Guanrou Yang, Jianwei Yu, Ruibin Yuan, Zhisheng Zheng, Ziya Zhou, Haina Zhu, Wei Xue, Emmanouil Benetos, Kai Yu, EngSiong Chng, Xie Chen

NeurIPS 2025 Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning Yanqiao Zhu, Yidan Shi, Yuanzhou Chen, Fang Sun, Yizhou Sun, Wei Wang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICLR 2024 Learning over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang

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

IJCAI 2023 A Systematic Survey of Chemical Pre-Trained Models Jun Xia, Yanqiao Zhu, Yuanqi Du, Stan Z. Li

NeurIPS 2023 GSLB: The Graph Structure Learning Benchmark Zhixun Li, Liang Wang, Xin Sun, Yifan Luo, Yanqiao Zhu, Dingshuo Chen, Yingtao Luo, Xiangxin Zhou, Qiang Liu, Shu Wu, Liang Wang, Jeffrey Yu

NeurIPSW 2023 Learning over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor Coley, Yizhou Sun, Wei Wang

NeurIPS 2023 M$^2$Hub: Unlocking the Potential of Machine Learning for Materials Discovery Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John Gregoire, Carla P. Gomes

AAAI 2023 Neighborhood-Regularized Self-Training for Learning with Few Labels Ran Xu, Yue Yu, Hejie Cui, Xuan Kan, Yanqiao Zhu, Joyce C. Ho, Chao Zhang, Carl Yang

NeurIPSW 2023 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 Loomba, Shichang Zhang, Yizhou Sun, Wei Wang

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

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

ICMLW 2022 Featurizations Matter: A Multiview Contrastive Learning Approach to Molecular Pretraining Yanqiao Zhu, Dingshuo Chen, Yuanqi Du, Yingze Wang, Qiang Liu, Shu Wu

ICMLW 2022 Pre-Training Graph Neural Networks for Molecular Representations: Retrospect and Prospect Jun Xia, Yanqiao Zhu, Yuanqi Du, Stan Z. Li

IJCAI 2019 Hierarchical Graph Convolutional Networks for Semi-Supervised Node Classification Fenyu Hu, Yanqiao Zhu, Shu Wu, Liang Wang, Tieniu Tan

AAAI 2019 Session-Based Recommendation with Graph Neural Networks Shu Wu, Yuyuan Tang, Yanqiao Zhu, Liang Wang, Xing Xie, Tieniu Tan