AI 中文总结
本文探讨AI在聚合物科学中的应用不足，基于聚合物数据库考察编码策略性能，评估AI在性能预测与逆设计中的模型架构，强调在线平台作用，为AI辅助聚合物设计提供指导。
AI 中文摘要
人工智能（AI）正在重塑聚合物科学的格局。尽管该领域已引入众多AI应用，但人们对聚合物编码策略的作用，以及AI模型在聚合物设计中的不同应用仍认识不足。本文基于聚合物数据库的基础，批判性考察了当前编码策略在不同应用场景下的性能与适用性；随后聚焦于AI应用的两大主要领域——性能预测与逆设计，评估各类模型架构的优势、劣势及适用场景；最后强调在线平台对提升数据可及性、推动聚合物科学与工程从经验驱动发现向AI驱动创新转变的重要意义。通过上述讨论，本文旨在为AI辅助聚合物设计的未来研发提供实用指导。
英文摘要
Artificial intelligence (AI) is redefining the landscape of polymer science. Although numerous AI applications have been introduced in this field, the roles of polymer encoding strategies and different applications of AI models in polymer design remain insufficiently understood. Here, we build upon the foundation of polymer databases to critically examine the performance and applicability of current encoding strategies across different use cases. We then focus on two major AI application domains, property prediction and inverse design, to evaluate the strengths, weaknesses and suitable scenarios for various model architectures. Finally, we emphasize the significance of the online platforms for promoting data accessibility and accelerating the migration from experience-based discovery toward AI-driven innovation in polymer science and engineering. Through these discussions, we aim to provide practical guidance for future research and development in AI-assisted polymer design.
Comments26 pages, 6 figures, 2 tables. review
