About
Hi, I'm Yang Zhuo. I am currently an undergraduate student at the School of Artificial Intelligence, Xidian University (2022-2026). Starting in 2026, I will join the School of Computer Science and Engineering, Southeast University and the Shanghai Innovation Institute as an incoming Ph.D. student, supervised by Associate Professor Tianfan Fu and Associate Professor Beilun Wang.
Currently, I am a research intern at Shanghai Innovation Institute, working with the Fudan NLP / OpenMOSS Group on agents for antibody design.
Previously, I was a research intern at the AI for Science Center, Shanghai AI Laboratory from Jan 2025 to Mar 2026, supervised by Associate Professor Tianfan Fu and Yuqiang Li.
My research interests mainly include:
- AI for Science: Antibody Design, Drug Design, AI for Spectroscopy, and Protein Language Models.
- LLMs: On-Policy Distillation, Post-Training, and Agentic Reinforcement Learning.
Although I am still exploring these fields, I am always eager to learn and connect with others. If you are interested in my work or just want to chat, feel free to reach out!
Selected Publications
View All →NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers
Liujia Yang, Zhuo Yang, Jiaqing Xie, Yubin Wang, Ben Gao, Tianfan Fu, Xingjian Wei, Jiaxing Sun, Jiang Wu, Conghui He, Yuqiang Li, Qinying Gu
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, Qinying Gu, Jun Jiang, Tianfan Fu, Yuqiang Li†
Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
Zhuo Yang, Daolang Wang, Lingli Ge, Beilun Wang, Tianfan Fu, Yuqiang Li†
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
Zhuo Yang, Yeyun Chen, Jiaqing Xie, Ben Gao, Shuaike Shen, Wanhao Liu, Liujia Yang, Beilun Wang, Tianfan Fu, Yuqiang Li
News
Our work SpectrumWorld and NMRTrans have been accepted by the KDD AI4Science Track🎉, I am first-authored on SpectrumWorld and second-authored on NMRTrans.
Our work NMRGym has been accepted by the KDD D&B Track 2026 🎉. Congratulations to Zheng Fang and Prof. Jun Xia!
Our work Reasoning BO has been accepted by MGEAdvance. I am the first author.
We released ChemClaw, an agentic framework for chemistry with modular skills.
Our work QCBench has been accepted by JCIM 🎉, Congratulations to Jiaqing Xie!
Our tool SpectrumLab is now open source! A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy.