Interpretable Machine Learning Predicting Coercivity of Sm-Co-Based Alloys

Guojing Xu , Hao Lu , Peixin Liu , Feng Cheng , Chongyu Han , Xiaoyan Song

Materials Genome Engineering Advances ›› 2026, Vol. 4 ›› Issue (1) : e70053

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Materials Genome Engineering Advances ›› 2026, Vol. 4 ›› Issue (1) :e70053 DOI: 10.1002/mgea.70053
RESEARCH ARTICLE
Interpretable Machine Learning Predicting Coercivity of Sm-Co-Based Alloys
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Abstract

This study has developed a physically interpretable machine learning framework for predicting coercivity of Sm-Co-based alloys by integrating principles of permanent magnetic materials. Key features governing coercivity were systematically reconstructed using a developed two-step symbolic regression algorithm combining frequency statistics, and individual contributions of these reconstructed features were elucidated by sensitivity analysis. A high-throughput predictive model was set up for coercivity evaluation with exceptional accuracy enabling data-driven composition design of Sm-Co-based permanent magnetic alloys with high coercivity. Taking SmCo7-based alloys as an example, ternary doping with Ti, In, and Al was identified as optimal for coercivity enhancement. Guided by these predictions, novel multielement doped nanocrystalline Sm-Co-based alloys were prepared exhibiting record high coercivity. This work established a paradigm shift from empirical optimization to mechanism-guided data-driven design of advanced permanent magnetic materials, demonstrating the potential of interpretable machine learning in materials innovation.

Keywords

coercivity / data-driven / interpretability / multi-element doping / Sm-Co-based alloys

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Guojing Xu, Hao Lu, Peixin Liu, Feng Cheng, Chongyu Han, Xiaoyan Song. Interpretable Machine Learning Predicting Coercivity of Sm-Co-Based Alloys. Materials Genome Engineering Advances, 2026, 4 (1) : e70053 DOI:10.1002/mgea.70053

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References

[1]

C. B. Jiang and S. Z. An, “Recent Progress in High Temperature Permanent Magnetic Materials,” Rare Metals 32, no. 5 (2013): 431–440, https://doi.org/10.1007/s12598-013-0162-6.

[2]

C. Wang and M. G. Zhu, “Overview of Composition and Technique Process Study on 2:17-Type Sm-Co High-Temperature Permanent Magnet,” Rare Metals 40, no. 4 (2021): 790–798, https://doi.org/10.1007/s12598-020-01514-1.

[3]

S. Mal and P. Sen, “Leveraging Available Data for Efficient Exploration of Materials Space Using Machine Learning: A Case Study for Identifying Rare Earth-Free Permanent Magnets,” Journal of Magnetism and Magnetic Materials 589 (2024): 171590, https://doi.org/10.1016/j.jmmm.2023.171590.

[4]

S. F. Zhang, Z. F. Li, Y. Z. Xu, and B. Su, “Flexible Magnetoelectric Systems: Types, Principles, Materials, Preparation and Application,” Applied Physics Reviews 11, no. 4 (2024): 041321, https://doi.org/10.1063/5.0220902.

[5]

J. M. D. Coey, “Perspective and Prospects for Rare Earth Permanent Magnets,” Engineering 6, no. 2 (2020): 119–131, https://doi.org/10.1016/j.eng.2018.11.034.

[6]

O. Akdogan, H. Sepehri-Amin, N. M. Dempsey, et al., “Preparation, Characterization, and Modeling of Ultrahigh Coercivity Sm–Co Thin Films,” Advanced Electronic Materials 1 (2015): 1500009, https://doi.org/10.1002/aelm.201500009.

[7]

Q. Yang, J. Li, X. Zhu, Y. Hu, T. Yuan, and Y. Liu, “Pr-Modified Microstructure Enhances Coercivity in Sm2Co17-Type Magnets,” Materials Characterization 218 (2024): 114521, https://doi.org/10.1016/j.matchar.2024.114521.

[8]

J. F. Liu, Y. Ding, and G. C. Hadjipanayis, “Effect of Iron on the High Temperature Magnetic Properties and Microstructure of Sm(Co,Fe,Cu,Zr)z Permanent Magnets,” Journal of Applied Physics 85, no. 3 (1999): 1670–1674, https://doi.org/10.1063/1.369304.

[9]

G. J. Li, “AI4R: The Fifth Scientific Research Paradigm,” Bulletin of Chinese Academy of Sciences 39, no. 1 (2024): 1–9, http://doi.org/10.16418/j.issn.1000-3045.20231007002.

[10]

Y. W. Yang, P. Kühn, M. Fathidoost, et al., “Coercivity Influence of Nanostructure in SmCo-1:7 Magnets: Machine Learning of high-throughput Micromagnetic Data,” arXiv (2024): 2408.03198v1.

[11]

D. Liu, K. Guo, F. W. Tang, et al., “Selecting Doping Elements by Data Mining for Advanced Magnets,” Chemistry of Materials 31, no. 24 (2019): 10117–10125, https://doi.org/10.1021/acs.chemmater.9b03379.

[12]

K. Guo, H. Lu, Z. Zhao, F. W. Tang, H. B. Wang, and X. Y. Song, “Magnetic Performance Oriented Composition Design of Sm-Co Based Alloys by Machine Learning and Experimental Studies,” Computational Materials Science 205 (2022): 111232, https://doi.org/10.1016/j.commatsci.2022.111232.

[13]

G. Xu, F. Cheng, H. Lu, C. Hou, and X. Song, “Predicting the Curie Temperature of Sm-Co-Based Alloys via Data-Driven Strategy,” Acta Materialia 274 (2024): 120026, https://doi.org/10.1016/j.actamat.2024.120026.

[14]

P. Liu, H. Lu, G. Xu, F. Cheng, C. Han, and X. Song, “Breaking Through the Trade-Off Between Saturation Magnetization and Coercivity: A Data-Driven Strategy,” Acta Materialia 289 (2025): 120945, https://doi.org/10.1016/j.actamat.2025.120945.

[15]

L. Jiang, H. Fu, Z. Zhang, et al., “Synchronously Enhancing the Strength, Toughness, and Stress Corrosion Resistance of High-End Aluminum Alloys via Interpretable Machine Learning,” Acta Materialia 270 (2024): 119873, https://doi.org/10.1016/j.actamat.2024.119873.

[16]

T. Gao, J. Gao, S. Yang, and L. Zhang, “Data-Driven Design of Novel Lightweight Refractory High-Entropy Alloys With Superb Hardness and Corrosion Resistance,” Npj Computational Materials 10, no. 1 (2024): 256, https://doi.org/10.1038/s41524-024-01457-6.

[17]

L. Jiang, H. Fu, H. Zhang, and J. Xie, “Physical Mechanism Interpretation of Polycrystalline Metals’ Yield Strength via a Data-Driven Method: A Novel Hall–Petch Relationship,” Acta Materialia 231 (2022): 117868, https://doi.org/10.1016/j.actamat.2022.117868.

[18]

I. Guyon and A. Elisseeff, “An Introduction to Variable and Feature Selection,” Journal of Machine Learning Research 3 (2003): 1157–1182, http://doi.org/10.5555/944919.944968.

[19]

R. Ramesh, G. Thomas, and B. M. Ma, “Magnetization Reversal in Nucleation Controlled Magnets. II. Effect of Grain Size and Size Distribution on Intrinsic Coercivity of Fe-Nd-B Magnets,” Journal of Applied Physics 64, no. 11 (1988): 6416–6423, https://doi.org/10.1063/1.342055.

[20]

C. A. Gould, K. R. McClain, D. Reta, et al., “Ultrahard Magnetism From Mixed-Valence Dilanthanide Complexes With Metal-Metal Bonding,” Science 375, no. 6577 (2022): 198–202, https://doi.org/10.1126/science.abl5470.

[21]

J. S. Jiang, H. L. Du, and W. Y. Zhang, “Electronegativity, Atomic Pseudoradii and Rare Earth Permanent Magnet Materials,” Journal of the Chinese Rare Earth Society 21, no. 3 (2003): 287–290.

[22]

S. Aich and J. E. Shield, “Effect of Nb and C Additives on the Microstructures and Magnetic Properties of Rapidly Solidified Sm-Co Alloys,” Journal of Alloys and Compounds 425, no. 1–2 (2006): 416–423, https://doi.org/10.1016/j.jallcom.2006.01.067.

[23]

M. Y. Shang, H. Lu, G. J. Xu, and X. Y. Song, “Nanocrystalline SmCo12 Main-Phase Alloys With V-Doping: Structure Stability and Magnetic Performance,” Journal of Materials Science and Technology 210 (2025): 254–264, https://doi.org/10.1016/j.jmst.2024.05.037.

[24]

X. J. Jiang, B. Balamurugan, and J. E. Shield, “Effect of Fe Content on Structural and Magnetic Properties of SmCo4-xFexB Alloys,” Journal of Alloys and Compounds 617 (2014): 479–484, https://doi.org/10.1016/j.jallcom.2014.08.027.

[25]

K. Guo, H. Lu, F. Mao, et al., “How Non-Ferromagnetic Mn Enhances the Magnetization of SmCo7 Based Alloys,” Nanoscale 12, no. 9 (2020): 5567–5577, https://doi.org/10.1039/c9nr10483f.

[26]

M. Q. Huang, W. E. Wallace, M. McHenry, Q. Chen, and B. M. Ma, “Structure and Magnetic Properties of SmCo7-xZrx Alloys (X=0 to 0.8),” in 1998 IEEE International Magnetics Conference (INTERMAG), Vol. 83 (1998), 162.

[27]

Z. Yao and C. Jiang, “Magnetic Properties of TbCu7-Type SmCo7-x Nix Magnets Produced by Mechanical Milling,” IEEE Transactions on Magnetics 44, no. 12 (2008): 4578–4581, http://doi.org/10.1109/TMAG.2008.2002997.

[28]

Q. Yao, W. Liu, X. G. Zhao, D. Li, and Z. D. Zhang, “Structure, Phase Transformation, and Magnetic Properties of SmCo7−xCrx Magnets,” Journal of Applied Physics 99, no. 5 (2006): 053905, https://doi.org/10.1063/1.2178397.

[29]

J. B. Sun, S. J. Bu, W. Yang, H. W. Ding, C. X. Cui, and H. X. Zheng, “Structure and Magnetic Properties of SmCo7-xGax (0 ≤ X ≤ 1.2) Alloys,” Journal of Alloys and Compounds 583 (2014): 554–559, https://doi.org/10.1016/j.jallcom.2013.09.017.

[30]

H. Zaigham and F. A. Khalid, “Exchange Coupling and Magnetic Behavior of SmCo5-xSnx Alloys,” Journal of Materials Science and Technology 27, no. 3 (2011): 218–222, https://doi.org/10.1016/s1005-0302(11)60052-2.

[31]

G. Hua, X. Y. Song, D. Liu, D. X. Wang, H. B. Wang, and X. M. Liu, “Effects of Hf on Phase Structure and Magnetic Performance of Nanocrystalline SmCo7-type Alloy,” Journal of Materials Science 51, no. 7 (2016): 3390–3397, https://doi.org/10.1007/s10853-015-9653-1.

[32]

D. Liu, X. M. Liu, G. Q. Liu, and X. Y. Song, “Phase Stability and Magnetic Performance of Nanocrystalline Sm-Co Supersaturated Solid Solution,” Science China Technological Sciences 61, no. 1 (2018): 129–134, https://doi.org/10.1007/s11431-017-9180-y.

[33]

W. Q. Wang, J. L. Wang, N. Tang, et al., “Structural and Magnetic Properties of RCo12-xTix (R = Y and Sm) and YFe12-xTix Compounds,” Journal of Physics D Applied Physics 34, no. 3 (2001): 307–312, https://doi.org/10.1088/0022-3727/34/3/310.

[34]

J. Sun, D. Han, C. Cui, et al., “Effects of Hf and CNTs on Structure and Magnetic Properties of TbCu7-Type Sm-Co Magnets,” Intermetallics 18, no. 4 (2010): 599–605, https://doi.org/10.1016/j.intermet.2009.10.021.

[35]

J. S. Suh, B.-C. Suh, J. H. Bae, and Y. M. Kim, “Machine Learning-Based Design of Biodegradable Mg Alloys for Load-Bearing Implants,” Materials and Design 225 (2023): 111442, https://doi.org/10.1016/j.matdes.2022.111442.

[36]

R. H. Ouyang, S. Curtarolo, E. Ahmetcik, M. Scheffler, and L. M. Ghiringhelli, “SISSO: A Compressed-Sensing Method for Identifying the Best Low-Dimensional Descriptor in an Immensity of Offered Candidates,” Physical Review Materials 2, no. 8 (2018): 083802, https://doi.org/10.1103/physrevmaterials.2.083802.

[37]

Z. Cao, T. Zhang, and X. Tong, “Quality Evaluation of Chicken Soup Based on Entropy Weight Method and Grey Correlation Degree Method,” Scientific Reports 14, no. 1 (2024): 13038, https://doi.org/10.1038/s41598-024-61667-2.

[38]

V. A. Profillidis and G. N. Botzoris, “Modeling of Transport Demand—Analyzing, Calculating, and Forecasting Transport,” Transport Reviews 40 (2019): 1–2, http://doi.org/10.1080/01441647.2019.1635226.

[39]

S. M. Lundberg and S.-I. Lee, “A Unified Approach to Interpreting Model Predictions,” in Proceedings of the 31st International Conference on Neural Information Processing Systems (Curran Associates Inc., 2017), 4768–4777.

[40]

B. He, X. Zhu, Z. Cang, et al., “Interpretation and Prediction of the CO2 Sequestration of Steel Slag by Machine Learning,” Environmental Science and Technology 57, no. 46 (2023): 17940–17949, https://doi.org/10.1021/acs.est.2c06133.

[41]

J. Cai, X. Chu, K. Xu, H. Li, and J. Wei, “Machine Learning-Driven New Material Discovery,” Nanoscale Advances 2, no. 8 (2020): 3115–3130, https://doi.org/10.1039/d0na00388c.

[42]

Y. Tang, Y. Zhang, R. Ma, et al., “Discovery of High Fe Content Amorphous Alloys With Desired Soft Magnetic Properties by Incremental Machine Learning,” Journal of Alloys and Compounds 1026 (2025): 180505, https://doi.org/10.1016/j.jallcom.2025.180505.

[43]

C. Y. Han, H. Lu, G. J. Xu, Y. R. Li, X. M. Liu, and X. Y. Song, “Magnetic Properties Enhancement of Multi-Element-Doped SmCo7 Nanocrystalline Alloys,” Materials Today Physics 40 (2024): 101306, https://doi.org/10.1016/j.mtphys.2023.101306.

[44]

K. Guo, H. Lu, G. J. Xu, et al., “Recent Progress in Nanocrystalline Sm-Co Based Magnets,” Materials Today Chemistry 25 (2022): 100983, https://doi.org/10.1016/j.mtchem.2022.100983.

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