Optimal pre-train/fine-tune strategies for accurate material property predictions

Abstract A pathway to overcome limited data availability in materials science is to use the framework of transfer learning, where a pre-trained (PT) machine learning model (on a larger dataset) can be fine-tuned (FT) on a target (smaller) dataset. We systematically explore the effectiveness of vario...

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Bibliographic Details
Main Authors: Reshma Devi, Keith T. Butler, Gopalakrishnan Sai Gautam
Format: Article
Language:English
Published: Nature Portfolio 2024-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01486-1