Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metrics

Phase field models are an important mesoscale method that serves as a bridge between the atomic scale and the macroscale, used for modeling complex phenomena at the microstructure level. Machine learning can be employed to accelerate these simulations, enabling faster and more efficient analyses. However, the development of new machine learning algorithms depends on access to extensive datasets. This work introduces an accessible and well-documented dataset aimed at benchmarking new machine learning algorithms. We validate the dataset with a benchmark using U-Net regression, a widely used neural network architecture. Although direct comparisons are limited by the lack of existing benchmarks, our model's error metrics are competitive with previous work and generalize across multiple domain sizes. This contribution provides a valuable resource for future efforts in machine learning model development for phase field simulations and demonstrates the potential of U-Net regression, highlighting the scope for novel method development in this area.

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Publication Details

Journal
Scientific Data
Published
2024-11-23
DOI
https://doi.org/10.1038/s41597-024-04128-9
Citations
5
Primary Topic
Solidification and crystal growth phenomena
Type
article
Field-Weighted Citation Impact
0.59

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article

Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metrics

Igor Mele, Arghya Bhowmik, Laura Rieger, Tomaž Katrašnik et al.
5 citations
Scientific Data
Solidification and crystal growth phenomena
0.59
article

Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metrics

Igor Mele, Arghya Bhowmik, Laura Rieger, Tomaž Katrašnik, Klemen Zelič
article en
5 citations

Abstract

Phase field models are an important mesoscale method that serves as a bridge between the atomic scale and the macroscale, used for modeling complex phenomena at the microstructure level. Machine learning can be employed to accelerate these simulations, enabling faster and more efficient analyses. However, the development of new machine learning algorithms depends on access to extensive datasets. This work introduces an accessible and well-documented dataset aimed at benchmarking new machine learning algorithms. We validate the dataset with a benchmark using U-Net regression, a widely used neural network architecture. Although direct comparisons are limited by the lack of existing benchmarks, our model's error metrics are competitive with previous work and generalize across multiple domain sizes. This contribution provides a valuable resource for future efforts in machine learning model development for phase field simulations and demonstrates the potential of U-Net regression, highlighting the scope for novel method development in this area.

Scientific DataVol. 11(1)
University of Ljubljana (SI), National Institute of Chemistry (SI), Technical University of Denmark (DK)
European Commission, Javna Agencija za Raziskovalno Dejavnost RS, Univerza v Mariboru, Horizon 2020 Framework Programme
Industry, innovation and infrastructure
Openalex Percentile: Top 33%
Solidification and crystal growth phenomena
0.59
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