Portrait of Xuan Zhang

Xuan Zhang

PhD Student

Department of Computer Science & Engineering

Texas A&M University, TX, USA

L.F. Peterson Building, 435 Nagle Street

Email: xuan.zhang@tamu.edu

Hello, I am a final-year PhD student advised by Prof. Shuiwang Ji. During my PhD, I focused on developing deep learning methods for scientific problems, including deep-learning-based physics simulation and computational chemistry.

Prior to my PhD, I received my master's degree in engineering from Shanghai Jiao Tong University, my engineer's degree from ENSTA Paris, and my bachelor's degree from Shanghai Jiao Tong University.

I am currently on the 2026 job market.

Publications

  • Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory Xuan Zhang, Haiyang Yu, Chengdong Wang, Jacob Helwig, Shuiwang Ji*, Xiaofeng Qian* International Conference on Learning Representations (ICLR 2026)
  • A Two-Phase Deep Learning Framework for Adaptive Time-Stepping in High-Speed Flow Modeling Jacob Helwig, Sai Sreeharsha Adavi, Xuan Zhang, Yuchao Lin, Felix S. Chim, Luke Takeshi Vizzini, Haiyang Yu, Muhammad Hasnain, Saykat Kumar Biswas, John J. Holloway, Narendra Singh, N. K. Anand, Swagnik Guhathakurta, Shuiwang Ji International Conference on Learning Representations (ICLR 2026)
  • A Geometry-Aware Message Passing Neural Network for Modeling Aerodynamics over Airfoils Jacob Helwig, Xuan Zhang, Haiyang Yu, Shuiwang Ji Best student solution prize @ NeurIPS 2024 - ML4CFD Competition
  • SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations Xuan Zhang*, Jacob Helwig*, Yuchao Lin, Yaochen Xie, Cong Fu, Stephan Wojtowytsch, Shuiwang Ji International Conference on Learning Representations (ICLR 2024)
  • Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems Xuan Zhang*, Limei Wang*, Jacob Helwig*, Youzhi Luo*, Cong Fu*, Yaochen Xie*, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Haiyang Yu, YuQing Xie, Xiang Fu, Alex Strasser, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik Bekkers, Michael Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, Shuiwang Ji Foundations and Trends in Machine Learning | https://www.air4.science
  • Group Equivariant Fourier Neural Operators for Partial Differential Equations Jacob Helwig*, Xuan Zhang*, Cong Fu, Jerry Kurtin, Stephan Wojtowytsch, Shuiwang Ji International Conference on Machine Learning (ICML 2023)
  • A Score-Based Model for Learning Neural Wavefunctions Xuan Zhang, Shenglong Xu, Shuiwang Ji arXiv:2305.16540
  • Lattice Convolutional Networks for Learning Ground states of Quantum Many-Body Systems Cong Fu*, Xuan Zhang*, Shenglong Xu, Shuiwang Ji SIAM International Conference on Data Mining (SDM 2023)
  • Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks Meng Liu*, Cong Fu*, Xuan Zhang, Limei Wang, Yaochen Xie, Hao Yuan, Youzhi Luo, Zhao Xu, Shenglong Xu, Shuiwang Ji Tech Report, KDD Cup 2021, Runner-up award on OGB-LSC
  • Quaternion Product Units for Deep Learning on 3D Rotation Groups Xuan Zhang, Shaofei Qin, Yi Xu, Hongteng Xu IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR 2020)

Software

  • Real time semantic slam in ROS with a hand held RGB-D camera Xuan Zhang, David Filliat Research intern at ENSTA Paris | URL: GitHub Repository

Slides