Performance prediction of sintered NdFeB magnet using multi-head attention regression models

Abstract

Abstract The preparation of sintered NdFeB magnets is complex, time-consuming, and costly. Data-driven machine learning methods can enhance the efficiency of material synthesis and performance optimization. Traditional machine learning models based on mathematical and statistical principles are effective for structured data and offer high interpretability. However, as the scale and dimensionality of the data increase, the computational complexity of models rises dramatically, making hyperparameter tuning more challenging. By contrast, neural network models possess strong nonlinear modeling capabilities for handling large-scale data, but their decision-making and inferential processes remain opaque. To enhance interpretability of neural network, we collected 1,200 high-quality experimental data points and developed a multi-head attention regression model by integrating an attention mechanism into the neural network. The model enables parallel data processing, accelerates both training and inference speed, and reduces reliance on feature engineering and hyperparameter tuning. The coefficients of determination for remanence and coercivity are 0.97 and 0.84, respectively. This study offers new insights into machine learning-based modeling of structure-property relationships in materials and has potential to advance the research of multimodal NdFeB magnet models.

Keywords

• Sintered NdFeB
• Machine learning
• Deep learning
• Multi-head self-attention mechanism
• XGBoost