Artificial neural network (ANN) has the characteristics of self-adaptation, self-learning, parallel processing and strong nonlinear mapping ability. Compared with traditional experimental analysis modeling, ANN has obvious advantages in dealing with multivariable nonlinear complex relationships in the process of industrial catalyst design. In the face of the complex structure of catalyst, the unclear reaction mechanism and conditions, the use of neural network for small-scale experimental data analysis can save the time and energy invested in large-scale experimental research and obtain more perfect results in catalyst formulation optimization and condition selection. This paper summarizes the development of artificial neural network. The application principle, construction method and research progress of BP artificial neural network model in catalyst optimization design are summarized and analyzed. The development and innovation of artificial neural network in the future, as well as its continuous application and accumulation, will provide a powerful tool for the research of catalyst design and optimization in the future.