I am currently a second year Computer Science PhD student at Tsinghua University. My advisor is professor Yang Liu and I am glad to be affiliated with both THUNLP and AIR. I am also in close cooperation with professor Wenbing Huang from Renmin University of China.

I am deeply passionate about exploring the fascinating and wondrous realms of science, particularly at the crossroads of chemistry and biology. My current research in AI is driven by the profound curiosity to unravel the mysteries within these disciplines, and the practical pursuit of developing innovative pharmaceutical solutions. I am committed to leveraging AI to decipher the intricate connections between chemical and biological processes, with the ultimate goal of advancing both our fundamental understanding of science and the development of impactful solutions in the field of pharmaceuticals. Despite the acknowledgement that these aspirations may be viewed as idealistic, I firmly believe that actively striving towards these goals is a more meaningful pursuit than passively waiting, making the endeavor a worthwhile and fulfilling journey.

Publications

• ICML 2024Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
  Xiangzhe Kong, Wenbing Huang, Yang Liu.
  In Proceedings of the 41th International Conference on Machine Learning, 2024.

	@InProceedings{pmlr-v235-kong24b,
	  title = 	 {Generalist Equivariant Transformer Towards 3{D} Molecular Interaction Learning},
	  author =       {Kong, Xiangzhe and Huang, Wenbing and Liu, Yang},
	  booktitle = 	 {Proceedings of the 41st International Conference on Machine Learning},
	  pages = 	 {25149--25175},
	  year = 	 {2024},
	  editor = 	 {Salakhutdinov, Ruslan and Kolter, Zico and Heller, Katherine and Weller, Adrian and Oliver, Nuria and Scarlett, Jonathan and Berkenkamp, Felix},
	  volume = 	 {235},
	  series = 	 {Proceedings of Machine Learning Research},
	  month = 	 {21--27 Jul},
	  publisher =    {PMLR},
	  pdf = 	 {https://raw.githubusercontent.com/mlresearch/v235/main/assets/kong24b/kong24b.pdf},
	  url = 	 {https://proceedings.mlr.press/v235/kong24b.html},
	}
      

[bib] [paper] [github]



• ICML 2023End-to-End Full-Atom Antibody Design
  Xiangzhe Kong, Wenbing Huang, Yang Liu.
  In Proceedings of the 40th International Conference on Machine Learning, 2023.

      @InProceedings{pmlr-v202-kong23c,
        title = {End-to-End Full-Atom Antibody Design},
        author = {Kong, Xiangzhe and Huang, Wenbing and Liu, Yang},
        booktitle = {Proceedings of the 40th International Conference on Machine Learning},
        pages = {17409--17429},
        year = {2023},
        editor = {Krause, Andreas and Brunskill, Emma and Cho, Kyunghyun and Engelhardt, Barbara and Sabato, Sivan and Scarlett, Jonathan},
        volume = {202},
        series = {Proceedings of Machine Learning Research},
        month = {23--29 Jul},
        publisher = {PMLR},
        pdf = {https://proceedings.mlr.press/v202/kong23c/kong23c.pdf},
        url = {https://proceedings.mlr.press/v202/kong23c.html}
      }
    

[bib] [paper] [github]



• ICLR 2023Conditional Antibody Design as 3D Equivariant Graph Translation
  Xiangzhe Kong, Wenbing Huang, Yang Liu.
  In Proceedings of the 11th International Conference on Learning Representations, 2023.
  Outstanding Paper Honorable Mention

      @inproceedings{
	kong2023conditional,
	title={Conditional Antibody Design as 3D Equivariant Graph Translation},
	author={Xiangzhe Kong and Wenbing Huang and Yang Liu},
	booktitle={The Eleventh International Conference on Learning Representations },
	year={2023},
	url={https://openreview.net/forum?id=LFHFQbjxIiP}
      }
    

[bib] [paper] [github]



• NeurIPS 2022Molecule Generation by Principal Subgraph Mining and Assembling
  Xiangzhe Kong, Wenbing Huang, Zhixing Tan, Yang Liu.
  Advances in Neural Information Processing Systems, 2022
  Oral Presentation

	@inproceedings{NEURIPS2022_1160792e,
	  author = {Kong, Xiangzhe and Huang, Wenbing and Tan, Zhixing and Liu, Yang},
	  booktitle = {Advances in Neural Information Processing Systems},
	  editor = {S. Koyejo and S. Mohamed and A. Agarwal and D. Belgrave and K. Cho and A. Oh},
	  pages = {2550--2563},
	  publisher = {Curran Associates, Inc.},
	  title = {Molecule Generation by Principal Subgraph Mining and Assembling},
	  url = {https://proceedings.neurips.cc/paper_files/paper/2022/file/1160792eab11de2bbaf9e71fce191e8c-Paper-Conference.pdf},
	  volume = {35},
	  year = {2022}
	}
      

[bib] [paper] [github]

Honors and Awards

• 2023.10 ByteDance Scholars Program (about 10 students in China each year)

Educations

• 2022.09 - now, PhD, Tsinghua University, Bejing
• 2018.09 - 2022.07, Undergraduate, Tsinghua University, Bejing
• 2015.09 - 2018.07, Hangzhou No.2 High School of Zhejiang Province, Zhejiang