I am now working on Physics-Informed Machine Learning and Neural Operators for PDEs, with a focus on efficient surrogate modeling in fluid dynamics, control, and scientific computing. If you are seeking any form of academic cooperation, please feel free to email me at 0923B09@zju.edu.cn.

I graduated from Xiamen University (厦门大学) with a bachelor’s degree in Aerospace Engineering, and from Zhejiang University (浙江大学) with a master’s degree in Control Science and Engineering.

During my studies, I worked closely with Chao Xu (许超), Shengze Cai (蔡声泽) and collaborators on integrating control theory and deep learning, with applications in scientific machine learning and optimization.

I was recognized with several honors, including:

2024 Fifth place (5/10) in the IJCAI Aerodynamic Speed Prediction Competition (CCF A)
2021 Outstanding Graduate Student Leader, Zhejiang University
2018 Second Prize in the NXP Cup National College Students’ Intelligent Car Competition (South China Division)
2017 China National Encouragement Scholarship, Xiamen University

My research interests include neural differential equations, graph transformers for scientific learning, and physics-informed surrogate models. I have published papers in some journals and conferences such as Nature Communications, Neurocomputing, AAAI, IEEE Transactions on Network Science and Engineering.

To promote academic communication, I actively engage in interdisciplinary collaborations at the intersection of artificial intelligence, control theory, and fluid dynamics, aiming to develop efficient and generalizable PDE foundation models.

📝 Publications

💡 Optimization and Control in Deep Learning

Published:

Neurocomputing PIDNODES: Neural Ordinary Differential Equations Inspired by a Proportional-Integral-Derivative Controller
Pengkai Wang* (co-first), Chen Song*, Jiaxu Liu, Chao Xu, Shengze Cai
Nature Communications Accelerated optimization in deep learning with a proportion-integral-derivative controller
Chen Song, Jiaxu Liu, Pengkai Wang, Chao Xu, Shengze Cai, Jian Chu
IEEE Transactions on Network Science and Engineering Output Feedback-based Continuous-Time Distributed PID Optimization Algorithms
Liu Jiaxu, Chen Song, Pengkai Wang, Cai Shengze, Xu Chao, Chu Jian
China Automation Congress Nonlinear Learning Predictive Control of Fed-Batch Hydrogenation Reactor Based on Gaussian Process Regression
Pengkai Wang, Tehuan Chen, Changchun Pan

Under review:

IEEE Transactions on Neural Networks and Learning System Accelerated Decentralized Machine Learning on Heterogeneous Data
Jiaxu Liu, Yixiao Qian, Pengkai Wang, Song Chen, Shengze Cai

✈️ AI for Scientific Computing

Published:

AAAI 2025 AeroGTO: An Efficient Graph-Transformer Operator for Learning Large-Scale Aerodynamics of 3D Vehicle Geometries
Pengwei Liu, Pengkai Wang (co-first), Xingyu Ren , Hangjie Yuan, Zhongkai Hao, Chao Xu, Shengze Cai, Dong Ni
Acta Mechanica PiRD: Physics-informed Residual Diffusion for Flow Field Reconstruction
Siming Shan, Pengkai Wang, Chen Song, Jiaxu Liu, Wen Yao, Chao Xu, Shengze Cai

Under review:

NeurIPS 2025 Uncertainty-Informed Meta Pseudo Labeling for Surrogate Modeling with Limited Labeled Data
Xingyu Ren, Pengwei Liu, Pengkai Wang, Hangjie Yuan, Dong Ni
Nature Communications An Efficient Graph-Transformer Operator for Learning Physical Dynamics with Manifolds Embedding
Pengwei Liu, Xingyu Rena, Pengkai Wang* (co-first), Hangjie Yuan, Zhongkai Hao, Chao Xua, Dong Ni, Shengze Cai

🎖 Honors and Awards

2024.07 Fifth place in the final (5/10), Aerodynamic Speed Prediction Competition for Arbitrary 3D Geometric Cars, IJCAI (CCF A)
2021.06 Outstanding Graduate Student Leader, School of Control Science and Engineering, Zhejiang University
2018.07 Second Prize, Three-Wheeled Electromagnetic Category, South China Division, National College Students “NXP Cup” Intelligent Car Competition
2017.10 China National Encouragement Scholarship, Xiamen University

📖 Educations

2020.09 - 2023.06, Master, Zhejiang University, Hangzhou.
2016.09 - 2020.06, Undergraduate, Xiamen University, Xiamen.

💻 Internships