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Artificial intelligence−oriented materials data infrastructure and data standardization
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Hong WANG1, 2, 3, 4
Science & Technology Review | 2026, 44(15) : 25 - 33
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Science & Technology Review | 2026, 44(15): 25-33
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Artificial intelligence−oriented materials data infrastructure and data standardization
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Hong WANG1, 2, 3, 4
Affiliations
  • 1School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
  • 2Suzhou National Laboratory, Suzhou 215123, China
  • 3Materials Genome Initiative Center, Shanghai Jiao Tong University, Shanghai 200240, China
  • 4Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai 201203, China
Published: 2026-08-13 doi: 10.3981/j.issn.1000-7857.2025.12.00090
Outline
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Artificial intelligence is driving materials research toward a new data−driven paradigm of AI for Materials (AI4M), with data being a key foundation for the success. Both the Genesis Mission program of U.S. and the AI for Science Strategy of U.K. identify the collaborative operation of high−quality research datasets and supercomputing as national strategic infrastructure. China's Overall Construction Plan for the New Materials Big Data Center also clearly aims to integrate national data resources to accelerate materials research using AI. Currently, the lack of high−quality, AI compatible "ready−to−use" data is considered as the biggest bottleneck in AI4M. It should be recognized that datasets are only a component of a larger whole of materials information since any dataset merely reflects the scientific understanding of its creators. Limitations and bias are inevitable. The datasets that are effective today may not necessarily be so in the future. This paper systematically analyzes new requirements that AI imposes on the content and form of materials data, and proposes a future−oriented materials data infrastructure. It should be structured like a "tree" with a comprehensive information data pool as the root and high−quality datasets/corpora as the leaves, which allows for sustainable evolution. By standardizing root resources in advance, raw data can be reused and repurposed to meet the evolving needs of specialized models and general large language models. A modular and assemblable data model is designed to address the standardization challenges caused by the diversity and variability of material data. Building a national−level materials big data infrastructure is a long−term endeavor, crucial to the future development of China's new materials industry. Forward−looking planning is required—not only to meet the current needs of creating quality datasets, but more importantly, to aim on potential future demand on data sources, leaving enough room for development in the years to come. Therefore, material data infrastructures with public welfare and service attributes should have an 'integrated pool and warehouse' structure, catering to both datasets and comprehensive materials information pools, to balance the present with the future.

data infrastructure  /  data sets  /  data sources  /  data standardization  /  comprehensive materials information data pool
Hong WANG. Artificial intelligence−oriented materials data infrastructure and data standardization[J]. Science & Technology Review, 2026 , 44 (15) : 25 -33 . DOI: 10.3981/j.issn.1000-7857.2025.12.00090
Year 2026 volume 44 Issue 15
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Article Info
doi: 10.3981/j.issn.1000-7857.2025.12.00090
  • Receive Date:2025-12-18
  • Online Date:2026-08-31
  • Published:2026-08-13
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  • Received:2025-12-18
  • Revised:2026-02-27
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Affiliations
    1School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
    2Suzhou National Laboratory, Suzhou 215123, China
    3Materials Genome Initiative Center, Shanghai Jiao Tong University, Shanghai 200240, China
    4Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai 201203, China
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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