论文标题
Autoke:科学机器学习的自动知识嵌入框架
AutoKE: An automatic knowledge embedding framework for scientific machine learning
论文作者
论文摘要
在神经网络上施加物理限制作为一种知识嵌入方式,在解决由方程式描述的物理问题方面取得了巨大进步。但是,对于许多工程问题,治理方程通常具有复杂的形式,包括复杂的部分衍生物或随机物理领域,从实施的角度来看,这会给您带来重大不便。在本文中,提出了一个科学的机器学习框架,称为Autoke,并以储层流问题为例证明该框架可以有效地自动化嵌入物理知识的过程。在Autoke中,由深神经网络(DNN)组成的模拟器旨在预测感兴趣的物理变量。可以通过方程解析器模块解析任意复杂的方程式并自动转换为计算图,并通过自动分化评估模拟器对管理方程的适应性。此外,损失函数中的固定权重通过合并Lagrangian双重方法用自适应权重代替。神经体系结构搜索(NAS)还引入了自动启动,以根据特定问题选择模拟器的最佳网络体系结构。最后,我们应用转移学习以增强模拟器的可扩展性。在实验中,该框架通过一系列物理问题进行了验证,在这些物理问题中,它可以将物理知识自动嵌入模拟器中而无需大量的手工编码。结果表明,模拟器不仅可以进行准确的预测,还可以通过转移学习来应用于具有高效率的类似问题。
Imposing physical constraints on neural networks as a method of knowledge embedding has achieved great progress in solving physical problems described by governing equations. However, for many engineering problems, governing equations often have complex forms, including complex partial derivatives or stochastic physical fields, which results in significant inconveniences from the perspective of implementation. In this paper, a scientific machine learning framework, called AutoKE, is proposed, and a reservoir flow problem is taken as an instance to demonstrate that this framework can effectively automate the process of embedding physical knowledge. In AutoKE, an emulator comprised of deep neural networks (DNNs) is built for predicting the physical variables of interest. An arbitrarily complex equation can be parsed and automatically converted into a computational graph through the equation parser module, and the fitness of the emulator to the governing equation is evaluated via automatic differentiation. Furthermore, the fixed weights in the loss function are substituted with adaptive weights by incorporating the Lagrangian dual method. Neural architecture search (NAS) is also introduced into the AutoKE to select an optimal network architecture of the emulator according to the specific problem. Finally, we apply transfer learning to enhance the scalability of the emulator. In experiments, the framework is verified by a series of physical problems in which it can automatically embed physical knowledge into an emulator without heavy hand-coding. The results demonstrate that the emulator can not only make accurate predictions, but also be applied to similar problems with high efficiency via transfer learning.