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    Machine learning-driven prediction of skyrmion phase boundaries in 2D magnets

    Hongliang Hu, Zheng Chen, Shiwei Zhu, Xinyuan Guan, Xiaoping Wu*, and Changsheng Song†

    • Zhejiang Key Laboratory of Quantum State Control and Optical Field Manipulation, Department of Physics, Zhejiang Sci-Tech University, 310018 Hangzhou, China

    • *Contact author: xiaopingwu@zstu.edu.cn
    • †Contact author: cssong@zstu.edu.cn

    Phys. Rev. Materials 9, 074001 – Published 7 July, 2025

    DOI: https://doi.org/10.1103/55z5-cm5q

    Abstract

    Defining skyrmion phase boundaries and predicting the phase diagram among various spin textures remain critical challenges in the field of two-dimensional magnets. In this work, we combine atomistic spin simulations with machine learning (ML) to identify skyrmion phase boundaries across multiple parameter spaces, including frustration interaction η (|J2/J1|), Dzyaloshinskii-Moriya interaction (D), single-ion anisotropy (K), magnetic field (B), and temperature (T). Using convolutional auto-encoder, t-distributed stochastic neighbor embedding, K-means, and Inception-V3 models, we classify three distinct phases (ferromagnet, skyrmion, and mixed phase) with 98.2% accuracy. A Bayesian active learning framework incorporating Gaussian process regression iteratively refines phase boundary predictions, achieving stable errors around ∼0.05. In addition, phase boundary fitting reveals a functional relationship, λ∼ηK/D2, linking magnetic parameters to skyrmion stability. These findings demonstrate the potential of ML to enhance the efficiency and precision of skyrmion phase boundary analysis, advancing the understanding of complex spintronic systems.

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