機能性セラミックスのデータ駆動型設計手法を提案(Scientists Outline Data-Driven Approaches to Functional Ceramics)

2026-04-02 中国科学院(CAS)

中国科学院上海セラミック研究所(SICCAS)の研究チームは、機械学習を活用した機能性セラミックス開発の最新動向を総説として発表した。機能性セラミックスは電気、磁気、光、熱などに応答する重要材料だが、組成や製造条件と特性の関係が複雑で、従来の試行錯誤型開発には限界があった。研究では、データ収集、特徴量化、アルゴリズム選択、モデル解釈から成る機械学習ワークフローを整理し、誘電体、圧電体、超伝導体、磁性体、発光材料など200件超のモデルを分析した。さらに、材料分類、プロセス最適化、故障解析、デバイス設計への応用可能性を示し、今後は自律実験室やロボット合成、説明可能AI、デジタルツインを組み合わせた高速材料開発が重要になると指摘した。

機能性セラミックスのデータ駆動型設計手法を提案(Scientists Outline Data-Driven Approaches to Functional Ceramics)
Data-driven research for functional ceramics (Image by SICCAS)

<関連情報>

機能性セラミックスのためのデータ駆動型アプローチ Data-driven approaches for functional ceramics

Jincheng Qin, Faqiang Zhang, Mingsheng Ma, Yongxiang Li, Zhifu Liu
Materials Science and Engineering: R: Reports  Available online: 1 April 2026
DOI:https://doi.org/10.1016/j.mser.2026.101213

Abstract

Functional ceramics play a pivotal role in modern technologies due to their diverse responsive properties. However, their design and properties optimization remain challenging due to complex composition-structure-property relationships and high-dimensional parameter spaces. Data-driven approaches, particularly machine learning (ML), offer powerful tools to accelerate the discovery and development of functional ceramics by enabling rapid property prediction, knowledge discovery, and decision-making. This review summarized recent advances in ML applications for functional ceramics. Beginning by introducing the end-to-end ML workflow, including data collection, featurization, algorithm selection, model evaluation and interpretation, the progress in properties prediction were summarized across major classes of functional ceramics, including dielectric, ferroelectric, piezoelectric, electrocaloric, conductive, superconductive, magnetic, and luminescent materials, organized by their key properties. Beyond property prediction, we highlighted ML applications in materials classification, calculation enhancement, process optimization, pattern recognition, device design and failure analysis. Finally, the emerging challenges and opportunities in data standardization, intelligent experimentation, small-data learning, multimodal fusion, explainable AI, digital twin and exploration of novel ceramics were discussed. This review aims to serve as a guide and inspiration for researchers leveraging data-driven strategies to enable intelligent design and deployment of high-performance functional ceramics.

0501セラミックス及び無機化学製品
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