建立“从连续流形到离散符号的机器认知涌现”理论，使机器能够从高维动力学数据中自主回答：系统真正的有效坐标是什么；这些坐标如何由底层观测形成层级；可达状态怎样组织成解析流形；局部规律如何沿慢状态积分为全局理论；当前理论在何处失效并提示新物理。

理论上，给出动力学充分坐标、物理规范、表达式等价类、流形解析化和失效边界的定义与判据，阐明局域自相似、慢变量漂移、拓扑/几何重构和全域积分之间的关系。方法上，形成包含流形扫描、降维解耦、语义对齐、表达式空间隐变量发现、层级符号回归、门控神经表示、完整分布重构和主动采样的自主发现平台。验证上，完成OR/PMC、相场粗化或聚集系统、开放反应—输运系统三个层级的递进检验；至少在一个新体系中发现此前未显式给出的慢坐标、机制转换或有效方程，并由独立模拟或实验数据验证。

       形成一种可迁移的科学发现接口：不同领域不必共享具体变量和公式，但可以共享“定位主尺度—发现慢坐标—固定物理语义—解析流形—检验失效边界”的发现程序。将其推广到凝聚态、流体、等离子体、软物质、生命与天体等具有多尺度耗散结构的基础问题，为通用人工智能参与自然规律发现提供可解释、可证伪的底层框架。

    已发表文章列表：

1. Tairan Wang#, Jianyu Hu#, Runhai Ouyang#, Yutao Wang, Yi Huang, Sulei Hu, and Wei-Xue Li*. Nature of metal–support interaction for metal catalysts on oxide supports. Science 386, 915–920 (2024). doi: 10.1126/science.adp6034.

2. Sulei Hu and Wei-Xue Li*. Sabatier principle of metal–support interaction for design of ultrastable metal nanocatalysts. Science 374, 1360–1365 (2021). doi: 10.1126/science.abi9828.

3. Hongyang Su†, Jie Zheng†, Wenxiang Mu†, Zixuan Guan, Pei Wang, Ziyun Zhang, Fanqi Meng, Xiaoying Yan, Peng Liu, Guiping Ji, Tianxiang Nan, Hui Zhang, Yidan Cao, Zhi Liu, Yuan-Hua Lin, Wei-Xue Li, William C. Chueh*, Sulei Hu*, and Di Chen*. Atomically precise layer-by-layer titration of perovskite oxides reveals the termination-specific reactivity in oxygen electrocatalysis. Nature Catalysis (2026). doi: 10.1038/s41929-026-01561-4.

4. Sulei Hu and Wei-Xue Li*. A data-driven leap towards stable catalysts. Nature Catalysis 8, 981–983 (2025). doi: 10.1038/s41929-025-01428-0.

5. Yancai Yao#, Sulei Hu#, Wenxing Chen#, Zheng-Qing Huang, Weichen Wei, Tao Yao, Ruirui Liu, Ketao Zang, Xiaoqian Wang, Geng Wu, Wenjuan Yuan, Tongwei Yuan, Baiquan Zhu, Wei Liu, Zhijun Li, Dongsheng He, Zhenggang Xue, Yu Wang, Xusheng Zheng, Juncai Dong, Chun-Ran Chang, Yanxia Chen, Xun Hong, Jun Luo, Shiqiang Wei, Wei-Xue Li*, Peter Strasser, Yuen Wu*, and Yadong Li. Engineering the electronic structure of single-atomic Ru sites via compressive strain boosts acidic water oxidation electrocatalysis. Nature Catalysis 2, 304–313 (2019). doi: 10.1038/s41929-019-0246-2.

6. Xingen Lin†, Peigen Liu†, Jie Zheng†, Jie Xu, Zihan Wang, Zhixuan Chen, Ze Lin, Xusheng Zheng, Xin Wang, Xianhui Ma, Dayin He, Xuyan Zhao, Ge Yu, Junmin Li, Sulei Hu*, Huang Zhou*, Wei-Xue Li*, and Yuen Wu*. Electronic tuning of RuO₂ polarizes metal–oxygen redox for proton exchange membrane water electrolysis. Nature Communications 16, 8709 (2025). doi: 10.1038/s41467-025-63721-7.

7. Peng Yin#, Sulei Hu#, Kun Qian, Zeyue Wei, Le-Le Zhang, Yue Lin*, Weixin Huang, Haifeng Xiong, Wei-Xue Li*, and Hai-Wei Liang*. Quantification of critical particle distance for mitigating catalyst sintering. Nature Communications 12, 4865 (2021). doi: 10.1038/s41467-021-25116-2.

8. Xing, Xu, Hu*, Residual-Certified Adaptive Tracking of Solution Manifolds in Parametric Dynamical Systems, arXiv:2607.12351, 2026. 

9. Jie Zheng, Sulei Hu*, and Wei-Xue Li*. First-principles calculation study on the mechanism of oxygen reduction reaction at the SrO/La₀.₅Sr₀.₅FeO₃−δ/air three-phase boundary. Chinese Rare Earths 47(1), 9–17 (2026).

10. JunJu Xue, JianYu Hu, Jie Luo, Sulei Hu*, and Wei-Xue Li*. Molecular dynamics study of OH-induced disintegration of Cu/ZnO catalysts based on machine learning potentials. Chinese Journal of Chemical Physics (2025, accepted).

11. Jianyu Hu, Junyi Yang, Sulei Hu, Jinxun Liu, and Wei-Xue Li. Interpretable machine learning-assisted development of catalytic science theory. Scientia Sinica Chimica 55 (2025).

12. Zhun Zhang#, Congcong Du#, Haowen Li#, Jianyu Hu, Fan Yang, Jianyu Huang, Sulei Hu, Wei-Xue Li*, and Haifeng Xiong*. Spatial segregation of three-dimensional Al₂O₃-supported PtSn catalyst for improved sintering resistance at high temperature. Applied Catalysis B: Environmental 358, 124334 (2024). doi: 10.1016/j.apcatb.2024.124334.

13. Shiyan Cao, Sulei Hu*, and Wei-Xue Li*. First-principles thermodynamics study of CO/OH-induced disintegration of precious metal nanoparticles on TiO₂(110). Chinese Journal of Chemical Physics 36, 411–418 (2023).

14. Siyan Cao, Xuting Chai, Sulei Hu*, and Wei-Xue Li*. First-principles study of oxygen-induced disintegration and ripening of late transition metal nanoparticles on rutile TiO₂(110). The Journal of Physical Chemistry C 126, 8056–8064 (2022). doi: 10.1021/acs.jpcc.2c00612.

15. Kun Yang, Sulei Hu, Yujie Ban, Yingwu Zhou, Na Cao, Meng Zhao, Yifei Xiao, Wei-Xue Li, and Weishen Yang. ZIF-L membrane with a membrane-interlocked-support composite architecture for H₂/CO₂ separation. Science Bulletin 66, 1869–1876 (2021).

16. Tairan Wang, Jiancong Li, Wu Shu, Sulei Hu, Runhai Ouyang, and Wei-Xue Li. Machine-learning adsorption on binary alloy surfaces for catalyst screening. Chinese Journal of Physical Chemistry 33, 703 (2020).

17. Sulei Hu and Wei-Xue Li. Metal–support interaction controlled migration and coalescence of supported particles. Science China Technological Sciences 62, 762 (2019).

18. Jing Zhu, Sulei Hu, Zhenhua Zeng, and Wei-Xue Li. First-principles investigation of electrochemical dissolution of Pt nanoparticles and kinetic simulation. The Journal of Chemical Physics 151, 234711 (2019).

19. Qixin Wan#, Sulei Hu#, Jiangnan Dai, Changqing Chen*, and Wei-Xue Li*. Influence of crystal facet and phase of titanium dioxide on Ostwald ripening of supported Pt nanoparticles from first-principles kinetics. The Journal of Physical Chemistry C 123, 11020–11026 (2019).

20. Qixin Wan#, Sulei Hu#, Jiangnan Dai, Changqing Chen*, and Wei-Xue Li*. First-principles kinetic study for Ostwald ripening of late transition metals on TiO₂(110). The Journal of Physical Chemistry C 123, 1160–1169 (2019).

21. Sulei Hu and Wei-Xue Li*. Influence of particle size distribution on half-life time and onset temperature of Ostwald ripening of supported particles. ChemCatChem 10, 2900–2907 (2018).

22. Sulei Hu and Wei-Xue Li*. Theoretical investigation of metal–support interaction on ripening kinetics of supported particles. ChemNanoMat 4, 510–517 (2018).

23. Sulei Hu#, Runhai Ouyang#, and Wei-Xue Li*. First-principles kinetics study of carbon monoxide promoted Ostwald ripening of Au particles on FeO/Pt(111). Journal of Energy Chemistry 30, 108–113 (2018).