This study explores two scenarios for optimizing the predictive control of flux in water desalination systems: experimental design of direct contact membrane distillation (DCMD) and artificial intelligence (AI) models. Deep learning networks, specifically Long Short-Term Memory (LSTM), and standalone AI models, including hybrid Adaptive Neuro-Fuzzy Inference System (ANFIS) and Artificial Neural Network (ANN), were evaluated. Evaluation criteria, along with 2D graphical visualization, were used to assess model accuracy. ANFIS-C4 emerged as the standout model, achieving perfect predictive skills with 100 % accuracy and low RMSE of 0.0522 in the training phase, and maintaining high performance in testing with 99.73 % accuracy and RMSE of 0.7121. Similarly, ANN-C4 demonstrated near-perfect accuracy with 100 % accuracy and RMSE of 0.0643 in the training phase and also maintained excellent performance in the testing phase. Despite requiring multiple inputs, ANFIS and ANN show remarkably high capability in predictive accuracy. Among LSTM models, LSTM-C3 achieved the highest training DC of 91.35 %, indicating robust performance in capturing training data variability. LSTM-C2 showed superior generalization with a testing DC of 0.8539, despite using only two input parameters. The narrow distribution of predicted values around the median in violin plots for ANFIS-C4 and ANN-C4, along with their low RMSE, validates their superior performance. The exceptional results of ANFIS-C4 and ANN-C4 highlight their potential in water desalination applications, supporting Sustainable Development Goal 6 (SDGs-6) and Environmental Protection Agency (EPA) objectives for sustainable water management. This research underscores the importance of advanced computational models in enhancing the efficiency and reliability of water desalination systems, contributing to global efforts in sustainable water resource management.