Advancements and Applications of Artificial Intelligence and Machine Learning in Material Science and Membrane Technology: A Comprehensive Review

Abstract

Membrane technologies play a vital role in sustainable development due to their efficiency in separation, purification, and chemical processing applications. However, the discovery and optimization of new membrane materials remain largely reliant on trial-and-error experimentation, limiting the pace of innovation. Artificial intelligence (AI) and machine learning (ML) are increasingly being applied to overcome these limitations by enabling data-driven insights, predictive modeling, and rapid material design. These computational approaches have shown significant promise in accelerating membrane fabrication, improving process simulation, detecting and mitigating fouling, and enhancing membrane characterization. This review provides a comprehensive overview of the recent advancements in the integration of AI and ML within membrane and material science. Fundamental AI and ML concepts relevant to membrane science are discussed, together with their applications in membrane fabrication, performance prediction, process modeling, fouling control, and membrane design. Challenges related to data quality, model interpretability, and the integration of domain-specific knowledge are also highlighted, along with potential future research directions. Compared with conventional empirical approaches, the advantages of AI and ML in handling complex, multivariate datasets and accelerating innovation are demonstrated. Overall, this review underscores the transformative potential of AI and ML in developing next-generation membranes with improved efficiency, selectivity, and sustainability across various industrial applications. Although several reviews have explored ML applications in membrane processes, comprehensive integration across material design, fabrication, fouling control, optimization, and process modeling remains limited.