Hi there! I am Hao Li (李昊 in Chinese), a third-year Ph.D. candidate in the School of Computer Science at Peking University, advised by Prof. Li Yuan. Before that, I got my Bachelor of Science degree in computer science at Peking University with a Summa Cum Laude.

My research interests include multimodal Learning, visual understanding, and AI for Chemical Science. I have published more than 20 papers at the top international AI conferences with total Google Scholar citations 800+.

πŸ”₯ News

  • 2025.6: Β πŸŽ‰πŸŽ‰ We release ChemCoTBench, the first step-wise reasoning benchmark for chemical tasks.
  • 2025.6: Β πŸŽ‰πŸŽ‰ One papers accepted by CVPR-2025.
  • 2024.12: Β πŸŽ‰πŸŽ‰ One papers accepted by Nature Computational Science.
  • 2024.08: Β πŸŽ‰πŸŽ‰ Two papers accepted by The 18th European Conference on Computer Vision(ECCV-2024).
  • 2023.08: Β πŸŽ‰πŸŽ‰ One paper accepted by The International Conference on Computer Vision(ICCV-2023).
  • 2023.06: Β πŸŽ‰πŸŽ‰ One paper accepted by Transactions on Image Processing(TIP).
  • 2023.04: Β πŸŽ‰πŸŽ‰ Three paper accepted by The International Joint Conference on Artifical Intelligence(IJCAI-2023).
  • 2022.08: Β πŸŽ‰πŸŽ‰ One oral paper accepted by The International Conference on Multimedia and Expo(ICME-2022-Oral).

πŸ“ Selected Publications and Preprints

Arxiv 2025
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Beyond Chemical QA: Evaluating LLM’s Chemical Reasoning with Modular Chemical Operations

Hao Li, He Cao, Bin Feng, Yanjun Shao, Xiangru Tang, Zhiyuan Yan, Li Yuan†, Yonghong Tian†, Yu Li†

Project

  • Official Homepage for the ChemCoTBench, the first step-wise reasoning benchmark for LLMs in Chemical domain.
TPAMI 2025
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Hierarchical banzhaf interaction for general video-language representation learning

Hao Li, Peng Jin, Shuicheng Yan, Li Yuan†, Jie Chen†

Project

  • Official Homepage for the HBI, a new approach that models video-text as game players using multivariate cooperative game theory to handle uncertainty during fine-grained semantic interactions with diverse granularity, flexible combination, and vague intensity.
ECCV 2024
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FreestyleRet: Retrieving Images from Style-Diversified Queries

Hao Li, Yanhao Jia, Peng Jin, Zesen Cheng, Kehan Li, Jialu Sui, Chang Liu, Li Yuan

Project

  • Official Code for the FreestyleRet framework. Official Released for the Diversified-Style Retrieval Dataset (DSR).
Nature Computational Science 2024
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Decoupled peak property learning for efficient and interpretable ECD spectra prediction

Hao Li, Da Long, Li Yuan, Yu Wang, Yonghong Tian, Xinchang Wang, Fanyang Mo

Project

  • Existing predictive approaches lack the consideration of ECD spectra due to the data scarcity, and the interpretability to achieve trust-worthy prediction. Here, we establish a large-scale dataset for Chiral Molecular ECD spectra (CMCDS) and propose ECDFormer for accurate and interpretable ECD spectra prediction. ECDFormer decomposes ECD spectra into peak entities, employs the QFormer architecture to learn peak properties, and renders peaks into spectra. Compared to spectra sequence prediction methods, our decoupled peak prediction approach substantially enhances both accuracy and efficiency, improving the peak symbol accuracy from 37.3% to 72.7% and decreasing the time cost from an average of 4.6 CPU hours to 1.5 seconds.
ICCV 2023
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Diffusionret: Generative text-video retrieval with diffusion model

Hao Li, Peng Jin, Zesen Cheng, Kehan Li, Chang Liu, Li Yuan, Jie Chen

Project

  • Official Code for the DiffusionRet model.

πŸŽ– Honors and Awards

  • 2023.9 Hongqiao Scholarship in Peking University (Top 1%).

πŸ“– Educations

  • 2017.09 - 2021.06, Bachelor, in School of Electronics Engineering and Computer Science (EECS), Peking University.
  • 2021.09 - 2023.09, Master, School of Electronics and Computer Engineering (ECE), Peking University.
  • 2023.09 - now, PhD Candidate, School of Computer Science, Peking University.

πŸ’» Internships

  • 2020.07 - 2021.09, Mentored by Xu Li, Cognitive Computing Lab, Baidu Research, Beijing, China.
  • 2022.07 - 2023.02, Mentored by Songyang Zhang, OpenMMLab, Shanghai AI Lab, Shanghai, China.
  • 2024.12 - present, Mentored by Yu Li, International Digital Economy Academy, Shenzhen, China.