Hi there! I am Wenjie Du, an Associate Researcher at the School of Software Engineering/Suzhou Institute for Advanced Research, University of Science and Technology of China USTC, and a member of the USTC-DILab. I received my Ph.D. in the School of Software Engineering, USTC in 2024, supervised by Prof. Xike Xie and Prof. Yang Wang. Before starting my Ph.D. study, I received my Bachelor’s degree from Northeastern University (NEU) in 2018.

I have published about 20 high-level papers on research journals and conferences, including some top level international journals and conferences, such as Nature Water, Nature Communication, PNAS, JACS, ACL,IJCAI, IEEE TKDE, IEEE BIBM and so on. I am broadly interested in generalized AI for Science especially in the Environment, Chemistry and Materials science. You can find my CV here: Curriculum Vitae.

🌟Hiring: We are actively seeking funded visiting students, research assistant and self-motivated Ph.D. students. Since July 2022, almost every visiting student who worked with me has published papers at top conferences such as ICML, NeurIPS, and ICLR during their visit. If you are interested, please don’t hesitate to contact me via Email, WeChat.

News

• (2024.06) I received the “Outstanding Doctoral Dissertation Award” in USTC.
• (2024.06) My paper titled “Source identification and prediction of nitrogen and phosphorus pollution of Lake Taihu by an ensemble machine learning technique” is selected as the best paper (top 3/301).
• (2024.05) One papers on molecualr interaction are accepted in ACL 2024.
• (2024.05) One paper on molecualr interaction are accepted in IJCAI 2024.
• (2024.05) Successfully passed the “ghFund” review and are selected as “Outstanding” in TianJin.
• (2024.05) Successfully defended the doctoral dissertation.

Selected Papers

• Spatiotemporal Pattern of Greenhouse Gas Emissions in China’s Wastewater Sector and Pathways towards Carbon Neutrality. Nature Water,2023. (Nature 子刊)

  Wenjie Du, JiaYuan Lu, YiRong Hu, Juanxiu Xiao, Jie Wu, Cheng Yang, Baocheng Huang, Shuo Cui, Yang Wang, Wenwei Li.PDF

• Spectroscopy-Guided Deep Learning Predicts Solid-Liquid Surface Adsorbate Properties in Unseen Solvents. Journal of the American Chemical Society, 2023. (JACS, 化学领域顶刊NO.1, 中科院一区, IF = 15. 419)

  Wenjie Du, Fenfen Ma, Jiahui Zhang, Baicheng Zhang, Xiaoting Yang, Wu Di, Yang Wang, and Jun Jiang.PDF

• Chemistry-informed molecular graph as reaction descriptor for machine-learned retrosynthesis planning. Proceedings of the National Academy of Sciences,2022. (PNAS, 美国科学院院刊, 中科院一区, IF = 11.1)

  Baicheng Zhang, Xiaolong Zhang, Wenjie Du, Zhaokun Song, Guozhen Zhang, Guoqing Zhang, Yang Wang, Xin Chen, Jun Jiang, and Yi Luo,.PDF

• Deciphering Urban Traffic Impacts on Air Quality by Deep Learning and Emission Inventory. Journal of Environmental Sciences,2023. (ESI 高被引论文)

  Wenjie Du, Lianliang Chen, Haoran Wang, Ziyang Shan, Zhengyang Zhou, Wenwei Li, Yang Wang.PDF

• Fusing 2D and 3D Molecular Graphs as Unambiguous Molecular Descriptors for Conformational and Chiral Stereoisomers. Briefings in Bioinformatics,2023. (JCR Q1, IF= 13.994)

  Wenjie Du, Xiaoting Yang, Di Wu, FenFen Ma, Baicheng Zhang, Chaochao Bao, Yaoyuan Huo, Xin Chen, Yang Wang.PDF

• MMGNN: A Molecular Merged Graph Neural Network for Explainable Solvation Free Energy Prediction. IJCAI,2023. (CCF A)

  Wenjie Du, Shuai Zhang, Ziyuan Zhao, Jun Xia, Junfeng Fang, Yang Wang.PDF

Awards & Honors

1. GuSu Outstanding Scholarship, 2021, Suzhou laboratory. (姑苏特等奖学金)
2. Shenzhen Stock Exchange Scholarship, 2022, USTC. (‘深交所’专项奖)
3. Tang Xiaoyan Scholarship, 2023, Peking University. (北京大学唐奖)
4. Chinese Academy of Sciences President’s Scholarship, 2023, USTC.(中科院院长奖)
5. Shenzhen Stock Exchange Scholarship, 2023, USTC. (‘深交所’专项奖)
6. Outstanding Doctoral Dissertation Award, 2024, USTC. (中科大优博)