Jiaqing Xie
Shanghai AI Lab AI for Science Center
godxie.steven [AT] gmail.com
Bio
Hello! I am Jiaqing Xie(謝嘉慶). I was graduated in May 2025 at ETH Zurich (CS Rank@4). I am now a AI4Science Research Assistant at Shanghai AI Lab. I am now actively seeking PhD positions in Fall 2026!
My research interests are AI for Chemistry, Protein Design and Quantum Physics.
AI4Chem: SpectrumWorld, TriMolLLM, SpectrumFlow (In Progress), InverseDiff (In Progress)
AI4Protein: DeepProtein, RAGProt, CoVDET
AI4Quantum: Hope to see this in my future research
Others: DeepResearchArena, QCBench
Vitæ
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Shanghai AI Lab June 2025 - CurrentAI for Science Research Assistant
Foundation Models -
Texas A&M University April 2025 - July 2025 (Spring)Research Intern
Protein Design -
ETH Zurich 2022 - 2025M.Sc.
Computer Science -
University of Edinburgh 2019 - 2022B.Eng.
Electronics and Computer Science
Publications
Most recent publications on Google Scholar.
‡ indicates equal contribution.
Deep Research Arena: The First Exam of LLMs’ Research Abilities via Seminar-Grounded Tasks
Haiyuan Wan, Chen Yang, Junchi Yu, Meiqi Tu, Jiaxuan Lu, Di Yu, Jianbao Cao, Ben Gao, Jiaqing Xie, Aoran Wang, Wenlong Zhang, Philip Torr, Dongzhan Zhou
Arxiv
SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
Zhuo Yang‡, Jiaqing Xie‡, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Jun Jiang, Tianfan Fu, and Yuqiang Li
Arxiv
QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry
Jiaqing Xie‡, Weida Wang‡, Ben Gao‡, Zhuo Yang, Haiyuan Wan, Shufei Zhang, Tianfan Fu, and Yuqiang Li
Arxiv
Re-Evaluating Positional Encodings for GNNs
Florian Grotschla‡,, Jiaqing Xie‡ and Roger Wattenhofer
Arxiv
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
Jiaqing Xie and Tianfan Fu
Bioinformatics, Oxford University Press
Deep Research Arena: The First Exam of LLMs’ Research Abilities via Seminar-Grounded Tasks
Haiyuan Wan, Chen Yang, Junchi Yu, Meiqi Tu, Jiaxuan Lu, Di Yu, Jianbao Cao, Ben Gao, Jiaqing Xie, Aoran Wang, Wenlong Zhang, Philip Torr, Dongzhan Zhou
Arxiv
SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
Zhuo Yang‡, Jiaqing Xie‡, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Jun Jiang, Tianfan Fu, and Yuqiang Li
Arxiv
QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry
Jiaqing Xie‡, Weida Wang‡, Ben Gao‡, Zhuo Yang, Haiyuan Wan, Shufei Zhang, Tianfan Fu, and Yuqiang Li
Arxiv
Re-Evaluating Positional Encodings for GNNs
Florian Grotschla‡,, Jiaqing Xie‡ and Roger Wattenhofer
Arxiv
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
Jiaqing Xie and Tianfan Fu
Bioinformatics, Oxford University Press
Academic Services (Reviewer)
- 2025: NeurIPS, EMNLP, ACML, ICONIP
- 2024: NeurIPS, ACML