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◆ ACS Omega2026-02-13· Interpretability

Research Progress in Artificial Intelligence-Assisted Preparation of High-Quality Biomaterials

De Qiang Wei, Ze Wang, Hao Lin, Xiao Ping Yin, Yi Wang

原始摘要(英文原文)· Original abstract
The field of biomaterials development is undergoing a fundamental paradigm shift, moving from empirical, trial-and-error approaches to data-driven, intelligent design strategies powered by Artificial Intelligence (AI). This review systematically synthesizes recent progress in applying AI and Machine Learning (ML) technologies to the preparation of high-quality biomaterials. It begins by outlining core AI methodologiesincluding foundational learning paradigms and advanced architectures such as Graph Neural Networks (GNNs) and Transformersand discusses their alignment with specific types of biomaterials data. The article then details AI's transformative role across three critical stages of the biomaterials R&D pipeline: (1) precision prediction of properties via high-throughput screening and virtual data analysis; (2) inverse design driven by target performance requirements; and (3) rapid multiobjective optimization of both material formulations and synthesis process parameters. Illustrative case studies demonstrate how these AI-enhanced approaches significantly accelerate design efficiency, expand discovery space, and foster innovation. Furthermore, the review critically examines persistent challenges, such as data scarcity and heterogeneity, model interpretability and reliability, rigor in validation, and ethical-regulatory concerns. Finally, we present a forward-looking perspective on emerging directions, including the evolution toward autonomous intelligent design, end-to-end smart manufacturing, cross-disciplinary integrated applications, and a transition to sustainable development. The deep integration of AI is positioned to fundamentally accelerate the discovery, optimization, and clinical translation of next-generation, high-performance biomaterials for regenerative and precision medicine.
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