论文标题
Pinns何时以及为什么未能训练:神经切线内核的观点
When and why PINNs fail to train: A neural tangent kernel perspective
论文作者
论文摘要
由于它们在应对涉及部分微分方程的广泛的前进和反问题方面的灵活性,因此非常了解物理学的神经网络(PINNS)最近受到了极大的关注。然而,尽管他们取得了显着的经验成功,但对这种约束神经网络在通过梯度下降过程中的行为方式知之甚少。更重要的是,对于为什么有时根本无法训练的原因,甚至更少知道。在这项工作中,我们旨在通过神经切线内核(NTK)的角度来研究这些问题。通过梯度下降训练期间,捕获无限宽度极限的完全连接神经网络的行为的内核。具体而言,我们得出了PINN的NTK,并证明在适当的条件下,它会收敛到确定性内核,该核在无限宽度限制的训练过程中保持恒定。这使我们能够通过其限制NTK的镜头分析PINN的训练动力学,并发现不同损失成分的收敛速率显着差异,这导致了总训练错误。为了解决这种基本病理,我们提出了一种新型的梯度下降算法,该梯度下降算法利用NTK的特征值来适应校准总训练误差的收敛速率。最后,我们执行一系列数值实验,以验证我们理论的正确性和所提出算法的实际有效性。此手稿随附的数据和代码可在\ url {https://github.com/predictivectiveIntelligencelab/pinnsntk}上公开获得。
Physics-informed neural networks (PINNs) have lately received great attention thanks to their flexibility in tackling a wide range of forward and inverse problems involving partial differential equations. However, despite their noticeable empirical success, little is known about how such constrained neural networks behave during their training via gradient descent. More importantly, even less is known about why such models sometimes fail to train at all. In this work, we aim to investigate these questions through the lens of the Neural Tangent Kernel (NTK); a kernel that captures the behavior of fully-connected neural networks in the infinite width limit during training via gradient descent. Specifically, we derive the NTK of PINNs and prove that, under appropriate conditions, it converges to a deterministic kernel that stays constant during training in the infinite-width limit. This allows us to analyze the training dynamics of PINNs through the lens of their limiting NTK and find a remarkable discrepancy in the convergence rate of the different loss components contributing to the total training error. To address this fundamental pathology, we propose a novel gradient descent algorithm that utilizes the eigenvalues of the NTK to adaptively calibrate the convergence rate of the total training error. Finally, we perform a series of numerical experiments to verify the correctness of our theory and the practical effectiveness of the proposed algorithms. The data and code accompanying this manuscript are publicly available at \url{https://github.com/PredictiveIntelligenceLab/PINNsNTK}.