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

Author:

Wang Ziming1,Liu Xiaotong12ORCID,Chen Haotian1,Yang Tao12,He Yurong23

Affiliation:

1. School of Computer, Beijing Information Science and Technology University, Beijing 100101, China

2. Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Information Science and Technology University, Beijing 100101, China

3. State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, China

Abstract

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.

Funder

National Natural Science Foundation of China

Publisher

MDPI AG

Subject

Fluid Flow and Transfer Processes,Computer Science Applications,Process Chemistry and Technology,General Engineering,Instrumentation,General Materials Science

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