论文标题
理解和减轻物理信息的梯度病理学
Understanding and mitigating gradient pathologies in physics-informed neural networks
论文作者
论文摘要
跨不同科学领域的神经网络的广泛使用通常涉及限制它们以满足某些对称性,保护定律或其他领域知识。这种限制通常在模型培训期间被施加为软惩罚,并有效地充当经验风险损失的领域特异性正规化。物理信息神经网络是这种理念的一个例子,在这种哲学中,深度神经网络的输出被限制为大约满足一组给定的部分微分方程。在这项工作中,我们回顾了科学机器学习的最新进展,特别关注了物理知识的神经网络在预测物理系统结果和从嘈杂数据中发现隐藏物理的有效性。我们还将识别和分析与数值刚度有关的这种方法的基本故障模式,从而导致模型训练期间的后反向传播梯度不平衡。为了解决此限制,我们提出了一种学习率退火算法,该算法利用模型训练期间利用梯度统计来平衡复合损失函数中不同项之间的相互作用。我们还提出了一种新型的神经网络体系结构,该结构对这种梯度病理更具弹性。综上所述,我们的发展为训练受约束的神经网络的培训提供了新的见解,并始终将物理信息信息的神经网络的预测准确性提高了50-100倍,在计算物理学中的一系列问题中。 \ url {https://github.com/predictivectiveIntIntelligencelab/gradientPathologyiespinns}均可公开获得此手稿的所有代码和数据。
The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at \url{https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs}.