{"title":"聚合物信息学的数据高效机器学习","authors":"Xin-Yao Xu, Xiao Hu, Li-Quan Wang, Ying Jiang","doi":"10.1007/s10118-025-3401-z","DOIUrl":null,"url":null,"abstract":"<div><p>Polymer informatics faces challenges owing to data scarcity arising from complex chemistries, experimental limitations, and processing-dependent properties. This review presents the recent advances in data-efficient machine learning for polymers. First, data preparation techniques such as data augmentation and rational representation help expand the dataset size and develop useful features for learning. Second, modeling approaches, including classical algorithms and physics-informed methods, enhance the model robustness and reliability under limited data conditions. Third, learning strategies, such as transfer learning and active learning, aim to improve generalization and guide efficient data acquisition. This review concludes by outlining future opportunities in machine learning for small-data scenarios in polymers. This review is expected to serve as a useful tool for newcomers and offer deeper insights for experienced researchers in the field.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1707 - 1717"},"PeriodicalIF":4.0000,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Data-efficient Machine Learning for Polymer Informatics\",\"authors\":\"Xin-Yao Xu, Xiao Hu, Li-Quan Wang, Ying Jiang\",\"doi\":\"10.1007/s10118-025-3401-z\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Polymer informatics faces challenges owing to data scarcity arising from complex chemistries, experimental limitations, and processing-dependent properties. This review presents the recent advances in data-efficient machine learning for polymers. First, data preparation techniques such as data augmentation and rational representation help expand the dataset size and develop useful features for learning. Second, modeling approaches, including classical algorithms and physics-informed methods, enhance the model robustness and reliability under limited data conditions. Third, learning strategies, such as transfer learning and active learning, aim to improve generalization and guide efficient data acquisition. This review concludes by outlining future opportunities in machine learning for small-data scenarios in polymers. This review is expected to serve as a useful tool for newcomers and offer deeper insights for experienced researchers in the field.</p></div>\",\"PeriodicalId\":517,\"journal\":{\"name\":\"Chinese Journal of Polymer Science\",\"volume\":\"43 10\",\"pages\":\"1707 - 1717\"},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2025-09-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chinese Journal of Polymer Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10118-025-3401-z\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chinese Journal of Polymer Science","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10118-025-3401-z","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
Data-efficient Machine Learning for Polymer Informatics
Polymer informatics faces challenges owing to data scarcity arising from complex chemistries, experimental limitations, and processing-dependent properties. This review presents the recent advances in data-efficient machine learning for polymers. First, data preparation techniques such as data augmentation and rational representation help expand the dataset size and develop useful features for learning. Second, modeling approaches, including classical algorithms and physics-informed methods, enhance the model robustness and reliability under limited data conditions. Third, learning strategies, such as transfer learning and active learning, aim to improve generalization and guide efficient data acquisition. This review concludes by outlining future opportunities in machine learning for small-data scenarios in polymers. This review is expected to serve as a useful tool for newcomers and offer deeper insights for experienced researchers in the field.
期刊介绍:
Chinese Journal of Polymer Science (CJPS) is a monthly journal published in English and sponsored by the Chinese Chemical Society and the Institute of Chemistry, Chinese Academy of Sciences. CJPS is edited by a distinguished Editorial Board headed by Professor Qi-Feng Zhou and supported by an International Advisory Board in which many famous active polymer scientists all over the world are included. The journal was first published in 1983 under the title Polymer Communications and has the current name since 1985.
CJPS is a peer-reviewed journal dedicated to the timely publication of original research ideas and results in the field of polymer science. The issues may carry regular papers, rapid communications and notes as well as feature articles. As a leading polymer journal in China published in English, CJPS reflects the new achievements obtained in various laboratories of China, CJPS also includes papers submitted by scientists of different countries and regions outside of China, reflecting the international nature of the journal.