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Small data machine learning in materials science

📅 March 25, 2023 👤 Pengcheng Xu, Xiaobo Ji, Minjie Li et al. 📖 npj Computational Materials 📊 696 citations

🤖 Plain-English Summary

Abstract This review discussed the dilemma of small data faced by materials machine learning. Next, the methods of dealing with small data were introduced, including data extraction from publications, materials database construction, high-throughput computations and experiments from the data source level; modeling algorithms for small data and imbalanced learning from the algorithm level; active learning and transfer learning from the machine learning strategy level.

🔑 Key Findings

  • First, we analyzed the limitations brought by small data.
  • Then, the workflow of materials machine learning has been introduced.
  • Next, the methods of dealing with small data were introduced, including data extraction from publications, materials database construction, high-throughput computations and experiments from the data source level; modeling algorithms for small data and imbalanced learning from the algorithm level; active learning and transfer learning from the machine learning strategy level.

💡 Why This Matters

This research advances how AI systems learn, reason, and solve problems — with direct implications for automation and scientific discovery.

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📋 Article Details

Category 🤖 Artificial Intelligence
Published Mar 25, 2023
Journal npj Computational Materials
Authors Pengcheng Xu, Xiaobo Ji, Minjie Li, Wencong Lu
DOI 10.1038/s41524-023-01000-z
Citations 696
Source OpenAlex

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