The novel contribution of the current study is to employ adaptive neuro-fuzzy inference system (ANFIS) for evaluation of H-2-selective mixed matrix membranes (MMMs) performance in various operational conditions. Initially, MMMs were prepared by incorporating zeolite 4A nanoparticles into polydimethylsiloxane (PDMS) and applied in gas permeation measurement. The gas permeability of CH4, CO2, C3H8 and H-2 was used for ANFIS modeling. In this manner, the H-2/gas selectivity as the output of the model was modeled to the variations of feed pressure, nanofiller contents and the kind of gas, which were defined as input (design) variables. The proposed method is based on the improvement of ANFIS with genetic algorithm (GA) and particle swarm optimization (PSO). The PSO and GA were applied to improve the ANFIS performance. To determine the efficiency of PSO-ANFIS, GA-ANFIS and ANFIS models, a statistical analysis was performed. The results revealed that the PSO-ANFIS model yields better prediction in comparison to two other methods so that root mean square error (RMSE) and coefficient of determination (R-2) were obtained as 0.0135 and 0.9938, respectively. The RMSE and R-2 values for GA-ANFIS were 0.0320 and 0.9653, respectively, and for ANFIS model were 0.0256 and 0.9787, respectively. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.