The integration of PSO with CNN provides a promising approach for classifying ASD using sMRI data. ASD is a behavioral disorder that impacts a person’s lifetime tendency to reciprocate with society. The variability and intensity of ASD symptoms, in addition to the fact that they share symptoms with other mental disorders, make an early diagnosis difficult. The key limitation of CNN is selecting the best parameters. To overcome this, we use PSO as an optimization approach within the CNN to choose the most relevant parameters to train the network. In the proposed approach, we initialize a swarm of particles, where each particle represents a unique configuration of CNN hyperparameters, including the number of convolutional layers, learning rates, filter sizes, and batch sizes. To evaluate the swarm in PSO, we use a fitness function, such as accuracy, to measure each particle’s performance. The performance of the proposed approach for ASD prediction outperformed that of the other optimizers with a high convergence rate.