The study focuses on the importance of a high-performance air compressor in fuel cell systems to optimize the efficiency and stability of the electrochemical reaction. By constructing a multi-physics simulation model based on test data, the research carried out multi-objective performance optimization of the compressor under different operating conditions. The results showed significant improvements in isentropic efficiency at various rotational speeds, with a maximum improvement of 23.4%. The simulation models demonstrated accurate predictions with minimal errors, showcasing the strong generalization ability of the models used. Through a combination of simulation verification and performance optimization, the study highlights the potential for enhancing energy conversion efficiency and reducing energy waste in fuel cell systems. Overall, the research provides valuable methodological insights and a solid data foundation for the development of high-performance air compressors, essential for the advancement of hydrogen fuel cell technology.