We propose efficient multiple machine learning (ML) models using specifically polynomial and logistic regression ML methods to predict the optimal design of proton exchange membrane (PEM) electrolyzer cells. The models predict eleven different parameters of the cell components for four different input parameters such as hydrogen production rate, cathode area, anode area, and the type of cell design (e.g., single or bipolar). The models fit well as we trained multiple machine learning models on 148 samples and validated the model performance on a test set of 16 samples. The average accuracy of the classification model and the mean absolute error is 83.6% and 6.825, respectively, which indicates that the proposed technique performs very well. We also measured the hydrogen production rate using a custom-made PEM electrolyzer cell fabricated based on the predicted parameters and compared it to the simulation result. Both results are in excellent agreement and within a negligible experimental uncertainty (i.e., a mean absolute error of 0.615). Finally, optimal PEM electrolyzer cells for commercial-scaled hydrogen production rates ranging from 500 to 5000 mL/min were designed using the machine learning models. To the best of our knowledge, we are the first group to model the PEM design problem with such large parameter predictions using machine learning with those specific input parameters. This study opens the route for providing a form of technology that can greatly save the cost and time required to develop water electrolyzer cells for future hydrogen production.