arXiv:2501.10481cs.LGcond-mat.mtrl-sci2025-01

用材料力学知识增强深度学习,提升小样本下材料逆问题预测精度

Learning Latent Hardening (LLH): Enhancing Deep Learning with Domain Knowledge for Material Inverse Problems

  • 构建两阶段框架LLH,先重建应力-应变曲线,再反推微观结构
  • 引入领域知识后模型R²显著提升,最高达0.98以上
  • 适合材料逆设计、小样本建模等研究者参考

深度学习在复杂材料逆问题中表现优异,但依赖大量数据。本文提出两阶段框架学习潜在硬化(LLH),以克服数据稀缺问题。第一阶段用深度神经网络从部分应力-应变曲线重建完整曲线,捕捉材料的隐含力学响应;第二阶段利用重建结果预测多孔材料的微观结构特征。对比六种模型(CNN、DNN、XGBoost、KNN、LSTM、Random Forest)在有无领域知识下的表现,加入领域知识的模型始终获得更高R²值,最高达0.98,且能识别出应力-应变与微结构关联的关键特征。而无先验知识的模型则遗漏这些关键模式。结果表明,将领域知识融入深度学习可显著提升材料科学中的预测准确性。

原文摘要 · Abstract (English)

Advancements in deep learning and machine learning have improved the ability to model complex, nonlinear relationships, such as those encountered in complex material inverse problems. However, the effectiveness of these methods often depends on large datasets, which are not always available. In this study, the incorporation of domain-specific knowledge of the mechanical behavior of material microstructures is investigated to evaluate the impact on the predictive performance of the models in data-scarce scenarios. To overcome data limitations, a two-step framework, Learning Latent Hardening (LLH), is proposed. In the first step of LLH, a Deep Neural Network is employed to reconstruct full stress-strain curves from randomly selected portions of the stress-strain curves to capture the latent mechanical response of a material based on key microstructural features. In the second step of LLH, the results of the reconstructed stress-strain curves are leveraged to predict key microstructural features of porous materials. The performance of six deep learning and/or machine learning models trained with and without domain knowledge are compared: Convolutional Neural Networks, Deep Neural Networks, Extreme Gradient Boosting, K-Nearest Neighbors, Long Short-Term Memory, and Random Forest. The results from the models with domain-specific information consistently achieved higher $R^2$ values compared to models without prior knowledge. Models without domain knowledge missed critical patterns linking stress-strain behavior to microstructural changes, whereas domain-informed models better identified essential stress-strain features predictive of microstructure. These findings highlight the importance of integrating domain-specific knowledge with deep learning to achieve accurate outcomes in materials science.

材料逆问题深度学习小样本学习领域知识

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