Bajaj Chandrajit, McLennan Luke, Andeen Timothy, Roy Avik
Department of Computer Science & Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, TX, 78712, United States of America.
Department of Physics, The University of Texas at Austin, Austin, TX, 78712, United States of America.
Mach Learn Sci Technol. 2023 Mar 1;4(1):015013. doi: 10.1088/2632-2153/acb416. Epub 2023 Feb 6.
Physics-informed neural networks (PINNs) have been shown to be effective in solving partial differential equations by capturing the physics induced constraints as a part of the training loss function. This paper shows that a PINN can be sensitive to errors in training data and overfit itself in dynamically propagating these errors over the domain of the solution of the PDE. It also shows how physical regularizations based on continuity criteria and conservation laws fail to address this issue and rather introduce problems of their own causing the deep network to converge to a physics-obeying local minimum instead of the global minimum. We introduce Gaussian process (GP) based smoothing that recovers the performance of a PINN and promises a robust architecture against noise/errors in measurements. Additionally, we illustrate an inexpensive method of quantifying the evolution of uncertainty based on the variance estimation of GPs on boundary data. Robust PINN performance is also shown to be achievable by choice of sparse sets of inducing points based on sparsely induced GPs. We demonstrate the performance of our proposed methods and compare the results from existing benchmark models in literature for time-dependent Schrödinger and Burgers' equations.
物理信息神经网络(PINNs)已被证明在通过将物理诱导约束作为训练损失函数的一部分来求解偏微分方程方面是有效的。本文表明,PINN可能对训练数据中的误差敏感,并在偏微分方程解的域上动态传播这些误差时出现过拟合。本文还展示了基于连续性准则和守恒定律的物理正则化如何无法解决这个问题,反而引入了它们自身的问题,导致深度网络收敛到遵循物理的局部最小值而不是全局最小值。我们引入了基于高斯过程(GP)的平滑方法,该方法恢复了PINN的性能,并有望构建一个对测量中的噪声/误差具有鲁棒性的架构。此外,我们说明了一种基于边界数据上GP的方差估计来量化不确定性演化的低成本方法。通过基于稀疏诱导GP选择稀疏的诱导点集,也能实现稳健的PINN性能。我们展示了所提出方法的性能,并将结果与文献中针对含时薛定谔方程和伯格斯方程的现有基准模型进行了比较。