Synchrotron radiation data-driven artificial intelligence approaches in materials discovery

Qingmeng Li , Rongchang Xing , Linshan Li , Haodong Yao , Liyuan Wu , Lina Zhao
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Abstract

Synchrotron radiation technology provides high-resolution and high-sensitivity information for many fields such as material science, life science, and energy research. Synchrotron radiation data-driven methods have significantly accelerated the development of materials discovery and analysis. However, synchrotron radiation data is complex and large, requiring artificial intelligence for analysis. Artificial intelligence can efficiently process complex high-dimensional data, automate the analysis process, discover hidden patterns and associations, and build predictive models. This review provides an overview of the application and development of combining synchrotron radiation data-driven methods with artificial intelligence in the field of materials discovery. The application of the method in science is still limited by the problems of large and complex synchrotron radiation data, valuable experimental machine time, and uninterpretable artificial intelligence models. To address these problems, this review correspondingly proposes solutions for synchrotron radiation artificial intelligence data banks, standardized experiment records systems, and interpretable artificial intelligence predictive models.

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同步辐射数据驱动的人工智能材料发现方法
同步辐射技术为材料科学、生命科学和能源研究等许多领域提供了高分辨率和高灵敏度的信息。同步辐射数据驱动方法大大加快了材料发现和分析的发展。然而,同步辐射数据复杂而庞大,需要人工智能进行分析。人工智能可以高效处理复杂的高维数据,实现分析过程自动化,发现隐藏的模式和关联,并建立预测模型。本综述概述了同步辐射数据驱动方法与人工智能相结合在材料发现领域的应用和发展。该方法在科学领域的应用仍然受到大量复杂的同步辐射数据、宝贵的实验机器时间和无法解读的人工智能模型等问题的限制。针对这些问题,本综述相应地提出了同步辐射人工智能数据库、标准化实验记录系统和可解释的人工智能预测模型等解决方案。
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来源期刊
Artificial intelligence chemistry
Artificial intelligence chemistry Chemistry (General)
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审稿时长
21 days
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