论文标题

调查有关力学分类问题的深度学习模型校准

Investigating Deep Learning Model Calibration for Classification Problems in Mechanics

论文作者

Mohammadzadeh, Saeed, Prachaseree, Peerasait, Lejeune, Emma

论文摘要

最近,人们对将机器学习方法应用于工程力学问题的兴趣越来越大。特别是,人们对应用深度学习技术进行预测异质材料和结构的机械行为的兴趣很大。研究人员已经表明,深度学习方法能够有效预测机械行为,对于从工程复合材料到几何复杂的超材料,再到异质生物组织的系统,具有低误差的机械行为。但是,对深度学习模型校准的关注相对较少,即预测的结果概率与结果的真实概率之间的匹配。在这项工作中,我们对七个开放访问工程机制数据集进行了对ML模型校准的全面研究,这些数据集涵盖了三种不同类型的机械问题。具体而言,我们评估了多种机器学习方法的模型和模型校准误差,并通过温度缩放研究集合平均和事后模型校准的影响。总体而言,我们发现深度神经网络的合奏平均既是改进模型校准的有效和一致的工具,而温度缩放的收益相对有限。展望未来,我们预计这项调查将为未来的工作奠定基础,以开发机械师的特定方法来进行深度学习模型校准。

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical behavior of heterogeneous materials and structures. Researchers have shown that deep learning methods are able to effectively predict mechanical behavior with low error for systems ranging from engineered composites, to geometrically complex metamaterials, to heterogeneous biological tissue. However, there has been comparatively little attention paid to deep learning model calibration, i.e., the match between predicted probabilities of outcomes and the true probabilities of outcomes. In this work, we perform a comprehensive investigation into ML model calibration across seven open access engineering mechanics datasets that cover three distinct types of mechanical problems. Specifically, we evaluate both model and model calibration error for multiple machine learning methods, and investigate the influence of ensemble averaging and post hoc model calibration via temperature scaling. Overall, we find that ensemble averaging of deep neural networks is both an effective and consistent tool for improving model calibration, while temperature scaling has comparatively limited benefits. Looking forward, we anticipate that this investigation will lay the foundation for future work in developing mechanics specific approaches to deep learning model calibration.

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