Hi there👋! I’m Jiaqi Wei, a Ph.D. student at Zhejiang University, where I’m pursuing my research under the excellent guidance of Prof. Siqi Sun and Prof. Wanli Ouyang. Before beginning my doctoral studies here, I completed my B.E. degree in Computer Science at Shandong University (GPA: 93.83/100.00; Rank 1st).

My core research interests lie at the fascinating intersection of LLM, Agent and AI (Agent) for Science. Feel free to reach out if you’d like to discuss potential collaborations or share ideas!

🔥 News

  • 2025.09:  🎉🎉 3 papers have been accepted by NeurIPS’2025.
  • 2025.08:  🎉🎉 PosterGen has been released. Welcome to try it out and give us your feedback!
  • 2025.08:  🎉🎉 Our survey about “Agentic Science: Autonomous Scientific Discovery” was released. Thanks to all collaborators!!
  • 2025.05:  🎉🎉 1 paper has been accepted by ACL’2025.
  • 2025.05:  🎉🎉 2 papers have been accepted by ICML’2025.
  • 2024.11:  🎉🎉 1 paper has been accepted by Nature Communications.

📝 Publications

First Author and Co-first Author; † means Equal Contribution

Curriculum Learning for Biological Sequence Prediction: The Case of De Novo Peptide Sequencing
Xiang Zhang†, Jiaqi Wei†, Zijie Qiu†, Sheng Xu, Nanqing Dong, Zhiqiang Gao, Siqi Sun
[ICML'2025]


Universal Biological Sequence Reranking for Improved De Novo Peptide Sequencing
Zijie Qiu†, Jiaqi Wei†, Xiang Zhang†, Sheng Xu, Kai Zou, Zhi Jin, Zhiqiang Gao, Nanqing Dong, Siqi Sun
[ICML'2025]


MassNet: billion-scale AI-friendly mass spectral corpus enables robust de novo peptide sequencing
A Jun†, Xiang Zhang†, Xiaofan Zhang†, Jiaqi Wei†, Te Zhang, Yamin Deng, Pu Liu, Zongxiang Nie, Yi Chen, Nanqin Dong, Zhiqiang Gao, Siqi Sun, Tiannan Guo
[Nature Methods Under Review]


Leveraging Critique Learning for Evidence-Sensitive Retrieval-Augmented Reasoning
Jiaqi Wei†, Hao Zhou†, Xiang Zhang, Di Zhang, Zijie Qiu, Wei Wei, Jinzhe Li, Wanli Ouyang, Siqi Sun
[NeurIPS'2025]


From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery
Jiaqi Wei, Yuejin Yang, Xiang Zhang, Yuhan Chen, Xiang Zhuang, Zhangyang Gao, Dongzhan Zhou, Guangshuai Wang, Zhiqiang Gao, Juntai Cao, Zijie Qiu, Xuming He, Qiang Zhang, Chenyu You, Shuangjia Zheng, Ning Ding, Wanli Ouyang, Nanqing Dong, Yu Cheng, Siqi Sun, Lei Bai, Bowen Zhou
[Arxiv], [ScienceAI]


Bidirectional Representations Augmented Autoregressive Biological Sequence Generation
Xiang Zhang†, Jiaqi Wei†, Zijie Qiu, Sheng Xu, Zhi Jin, ZhiQiang Gao, Nanqing Dong, Siqi Sun
[NeurIPS'2025]


TimeSeriesScientist: A General-Purpose AI Agent for Time Series Analysis
Haokun Zhao†, Xiang Zhang†, Jiaqi Wei†, Yiwei Xu, Yuting He, Siqi Sun, Chenyu You
[Arxiv]


Others

Why Prompt Design Matters and Works: A Complexity Analysis of Prompt Search Space in LLMs
Xiang Zhang, Juntai Cao, Jiaqi Wei, Chenyu You, Dujian Ding
[ACL'2025], [机器之心]


PrimeNovo: an accurate and efficient non-autoregressive deep learning model for de novo peptide sequencing
Xiang Zhang, Tianze Ling, Zhi Jin, Sheng Xu, Zhiqiang Gao, Boyan Sun, Zijie Qiu, Jiaqi Wei, Nanqing Dong, Guangshuai Wang, Guibin Wang, Leyuan Li, Muhammad Abdul-Mageed, Laks VS Lakshmanan, Fuchu He, Wanli Ouyang, Cheng Chang, Siqi Sun
[Nature Communications], [DrugAI]


Tokenization Constraints in LLMs: A Study of Symbolic and Arithmetic Reasoning Limits
Xiang Zhang, Juntai Cao, Jiaqi Wei, Yiwei Xu, Chenyu You
[Arxiv]


Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning
Yuhao Zhou, Yiheng Wang, Xuming He, Ruoyao Xiao, Zhiwei Li, Qiantai Feng, Zijie Guo, Yuejin Yang, Hao Wu, Wenxuan Huang, Jiaqi Wei, Dan Si, Xiuqi Yao, Jia Bu, Haiwen Huang, Tianfan Fu, Shixiang Tang, Ben Fei, Dongzhan Zhou, Fenghua Ling, Yan Lu, Siqi Sun, Chenhui Li, Guanjie Zheng, Jiancheng Lv, Wenlong Zhang, Lei Bai
[NeurIPS'2025], [机器之心]


PosterGen: Aesthetic-Aware Paper-to-Poster Generation via Multi-Agent LLMs
Zhilin Zhang, Xiang Zhang, Jiaqi Wei, Yiwei Xu, Chenyu You
[Arxiv], [机器之心]


🎖 Honors and Awards

  • 2024, Outstanding Graduate of Shandong Province.
  • 2024, Outstanding Graduate of Shandong University.
  • 2023, Merit Student of Shandong University.
  • 2023, National Scholarship.
  • 2022, National Scholarship.
  • 2021-2024, 1st Class Excellent Student Scholarships in SDU * 3

📖 Educations

  • 2024.09 - (now), Zhejiang University.
  • 2020.09 - 2024.06, Shandong University.

💻 Internships

  • 2023.10 - (now), Shanghai AI Lab, China.