学习潜伏硬化:通过对物质反向问题的领域知识来增强深度学习
Qinyi Tian1, Winston Lindqwister2, Manolis Veveakis1
1Department of Civil and Environmental Engineering, Duke University, Durham, NC, USA.
概括
将域名知识纳入深度学习模型显著改善了它们在数据稀缺材料科学反向问题的预测性能. 这种方法增强了特征选择,并认识到材料行为和微观结构之间的关键联系.
科学领域:
- 材料科学 材料科学 材料科学
- 计算材料科学科学 计算材料科学
- 应用数学 应用数学 应用数学
背景情况:
- 深度学习 (DL) 和机器学习 (ML) 擅长建模复杂的关系,但往往需要大量的数据集.
- 数据稀缺是许多材料科学反向问题的重大挑战.
- 在数据有限的场景中,特定领域的知识可能会提高DL/ML模型的性能.
研究的目的:
- 调查将机械行为的特定领域知识纳入DL/ML模型在数据稀缺逆问题中的预测性能的影响.
- 为材料科学反向问题提出和评估一种新的两步框架,即学习潜硬化 (LLH),用于材料科学反向问题.
- 为了比较各种DL和ML模型的有效性,并没有域知识集成.
主要方法:
- 开发了一个两步框架,学习潜伏硬化 (LLH).
- 第一步使用深度神经网络 (DNN) 来从部分数据中重建完整的应力-应变曲线,根据微观结构特征捕捉潜在的机械反应.
- 第二步利用重建的曲线来预测多孔材料的关键微观结构特征. 六个模型 (CNNs,DNN,XGBoost,KNN,LSTM,RF) 接受了训练,并且没有领域知识.
主要成果:
- 纳入特定领域机械知识的模型始终实现更高的性能指标 ([公式:见文本]值).
- 没有领域知识,模型无法识别压力-应变行为和微观结构变化之间的联系.
- 用域知识增强的模型展示了优越的特征选择,识别了微观结构预测的关键应力-应变特征.
结论:
- 特定领域的知识在指导深度学习模型方面发挥着关键作用,特别是在数据稀缺的环境中.
- 将领域专业知识与数据驱动方法相结合,对于材料科学中可靠和准确的结果至关重要.
- 拟议的LLH框架有效地利用领域知识来提高材料反向问题的预测准确性.
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