Domain-Knowledge-Guided Feature Engineering for Small-Sample Machine Learning Prediction of Mechanical Properties in Low-Carbon Hot-Rolled Steel Strips

Industrial steel property prediction is often constrained by limited labelled data, reducing the effectiveness of conventional machine learning models. This study investigated whether metallurgy-informed feature engineering enhances predictive performance under small-data conditions. A representative set of 300 samples from an industrial low-carbon hot-rolled steel strip dataset (C: 0.02–0.06 wt%; Mn: 0.17–0.38 wt%) was used to derive five physically meaningful descriptors: carbon equivalent (CE), nitrogen-to-aluminum ratio (N/Al), microalloying efficiency index (MEI), thermal processing parameter (TPP), and solid solution strengthening index (SSSI). These descriptors were combined with the original 17 compositional and processing variables to create a 22-feature dataset. Random Forest (RF) and Extreme Gradient Boosting (XGBoost) models were evaluated on an independent 60-sample test set using 5-fold cross-validation. Feature engineering improved the prediction accuracy, with the greatest gain observed for elongation. For XGBoost, the mean percentage error decreased from 3.23% to 3.05%, whereas the test-set R2 increased from 0.4935 to 0.5444, representing a 10.3% improvement in the explained variance. For the yield strength, the Random Forest method increased the R2 from 0.4744 to 0.4861. Permutation importance and partial dependence analyses identified MEI and TPP as the six most influential predictors across all targets, confirming that the engineered descriptors provide complementary metallurgical information. Learning curve analysis showed slightly higher cross-validation R2 values at intermediate training sizes (n = 125–175), indicating modestly improved sample efficiency. These findings establish domain-informed feature engineering as an interpretable and practical strategy for improving machine learning in data-limited steel manufacturing processes.

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Journal
Metals
Published
2026-08-21
DOI
https://doi.org/10.3390/met16080933
Primary Topic
Machine Learning in Materials Science
Type
article
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article

Domain-Knowledge-Guided Feature Engineering for Small-Sample Machine Learning Prediction of Mechanical Properties in Low-Carbon Hot-Rolled Steel Strips

Saurabh Tiwari, Nokeun Park, Hyoju Ahn, Jongwon Lee
Metals
Machine Learning in Materials Science
article

Domain-Knowledge-Guided Feature Engineering for Small-Sample Machine Learning Prediction of Mechanical Properties in Low-Carbon Hot-Rolled Steel Strips

Saurabh Tiwari, Nokeun Park, Hyoju Ahn, Jongwon Lee
article en

Abstract

Industrial steel property prediction is often constrained by limited labelled data, reducing the effectiveness of conventional machine learning models. This study investigated whether metallurgy-informed feature engineering enhances predictive performance under small-data conditions. A representative set of 300 samples from an industrial low-carbon hot-rolled steel strip dataset (C: 0.02–0.06 wt%; Mn: 0.17–0.38 wt%) was used to derive five physically meaningful descriptors: carbon equivalent (CE), nitrogen-to-aluminum ratio (N/Al), microalloying efficiency index (MEI), thermal processing parameter (TPP), and solid solution strengthening index (SSSI). These descriptors were combined with the original 17 compositional and processing variables to create a 22-feature dataset. Random Forest (RF) and Extreme Gradient Boosting (XGBoost) models were evaluated on an independent 60-sample test set using 5-fold cross-validation. Feature engineering improved the prediction accuracy, with the greatest gain observed for elongation. For XGBoost, the mean percentage error decreased from 3.23% to 3.05%, whereas the test-set R2 increased from 0.4935 to 0.5444, representing a 10.3% improvement in the explained variance. For the yield strength, the Random Forest method increased the R2 from 0.4744 to 0.4861. Permutation importance and partial dependence analyses identified MEI and TPP as the six most influential predictors across all targets, confirming that the engineered descriptors provide complementary metallurgical information. Learning curve analysis showed slightly higher cross-validation R2 values at intermediate training sizes (n = 125–175), indicating modestly improved sample efficiency. These findings establish domain-informed feature engineering as an interpretable and practical strategy for improving machine learning in data-limited steel manufacturing processes.

MetalsVol. 16(8)
Yeungnam University (KR)
Industry, innovation and infrastructure
Openalex Percentile: Top 22%
Machine Learning in Materials Science
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