材料基因组工程技术是运用人工智能手段实现新材料按需设计的关键技术,其中尤为重要的是创新智能算法的开发和应用.本文在总结、分析已有自然启发算法的基础上,提出建立自然启发算法库(Nature-inspired Algorithms Library, NIAL)的设想;明确了从不同学科取得算法启发并高通量产生新算法的基本思路;详细阐述了构建该算法库的基本流程,并剖析建立自然启发算法库平台的若干优势和特点.最后,展望了自然启发算法库在新材料研发中的应用模式,希望借此提升人工智能在材料基因组工程领域的应用水平.%The technique for Materials Genetic Initiative (MGI) is the key tool for realizing the demand-oriented design of new materials assisted by the artificial intelligence (AI). Accordingly, the development and application of innovative intelligence algorithms are particularly important. Based on the generalization and analyses of the existing nature-inspired algorithms, this work aims at outlining the suggestion to build the nature-inspired algorithms library (NIAL). The potential route in which inspirations are obtained from varieties of disciplines, was used to produce new algorithms in high-throughput ways is introduced. The general procedure for building algorithm library is elaborated, while its advantages and characteristics are anatomized. Finally, the potential of NIAL in new materials development has been envisioned to enhance the standard for the application of AI including MGI.
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