Exploring Multi-Fidelity Data in Materials Science: Challenges, Applications, and Optimized Learning Strategies

被引:3
作者
Wang, Ziming [1 ]
Liu, Xiaotong [1 ,2 ]
Chen, Haotian [1 ]
Yang, Tao [1 ,2 ]
He, Yurong [2 ,3 ]
机构
[1] Beijing Informat Sci & Technol Univ, Sch Comp, Beijing 100101, Peoples R China
[2] Beijing Informat Sci & Technol Univ, Beijing Adv Innovat Ctr Mat Genome Engn, Beijing 100101, Peoples R China
[3] Ningxia Univ, Coll Chem & Chem Engn, State Key Lab High Efficiency Utilizat Coal & Gree, Yinchuan 750021, Peoples R China
来源
APPLIED SCIENCES-BASEL | 2023年 / 13卷 / 24期
基金
中国国家自然科学基金;
关键词
multi-fidelity data; data noise; machine learning; property prediction; GAUSSIAN PROCESS REGRESSION; BAND-GAP; DESIGN; MODELS; APPROXIMATION; MULTIFIDELITY; FRAMEWORK; ABSORPTION; PREDICTION; ACCURACY;
D O I
10.3390/app132413176
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Machine learning techniques offer tremendous potential for optimizing resource allocation in solving real-world problems. However, the emergence of multi-fidelity data introduces new challenges. This paper offers an overview of the definition, applications, data preprocessing methodologies, and learning approaches associated with multi-fidelity data. To validate the algorithms, we examine three widely-used learning methods relevant to multi-fidelity data through the design of multi-fidelity datasets that encompass various types of noise. As we expected, employing multi-fidelity data learning methods yields better results compared to solely using high-fidelity data learning methods. Additionally, considering the inherent various types of noise within datasets, the comprehensive correction strategy proves to be the most effective. Moreover, multi-fidelity learning methods facilitate effective decision-making processes by enabling the combination of datasets from various sources. They extract knowledge from lower fidelity data, improving model accuracy compared to models solely relying on high-fidelity data.
引用
收藏
页数:16
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