用可视化方法研究物理信息神经网络的损失曲面,发现其结构比想象中更平滑简单。
Visualizing the loss landscapes of physics-informed neural networks
- 通过可视化技术分析物理约束下神经网络的损失曲面形态
- 两种主流物理损失形式在解附近均呈现平滑、良态且类凸特性
- 为科学机器学习领域提供直观理解优化过程的新视角
训练神经网络需在高维非凸损失曲面上寻找使损失最小的参数。尽管优化器如随机梯度下降和ADAM能稳定找到泛化性能良好的极小值,其成功背后的几何机制仍待揭示。近年来,损失曲面研究社区通过可视化手段探索损失函数的几何结构与优化动态,但主要集中于图像分类等数据驱动任务。在新兴的物理信息机器学习领域,针对由微分算子作用于神经网络离散状态场定义的损失函数,尚缺乏可视化研究。本文系统综述了损失曲面研究文献,并探讨了少数已有的物理信息相关工作。随后,我们运用多种可视化技术,实证研究了深度里茨(Deep Ritz)与平方残差(squared residual)两种物理损失形式的曲面特性。结果表明,这些物理信息神经网络的损失曲面具有与数据驱动任务相似的性质:在解附近表现出光滑、良态且类凸特征。本研究旨在向科学机器学习社区引入损失曲面视角,对比深里茨与强形式损失,挑战关于物理信息网络损失曲面复杂性的既有认知。
原文摘要 · Abstract (English)
Training a neural network requires navigating a high-dimensional, non-convex loss surface to find parameters that minimize this loss. In many ways, it is surprising that optimizers such as stochastic gradient descent and ADAM can reliably locate minima which perform well on both the training and test data. To understand the success of training, a "loss landscape" community has emerged to study the geometry of the loss function and the dynamics of optimization, often using visualization techniques. However, these loss landscape studies have mostly been limited to machine learning for image classification. In the newer field of physics-informed machine learning, little work has been conducted to visualize the landscapes of losses defined not by regression to large data sets, but by differential operators acting on state fields discretized by neural networks. In this work, we provide a comprehensive review of the loss landscape literature, as well as a discussion of the few existing physics-informed works which investigate the loss landscape. We then use a number of the techniques we survey to empirically investigate the landscapes defined by the Deep Ritz and squared residual forms of the physics loss function. We find that the loss landscapes of physics-informed neural networks have many of the same properties as the data-driven classification problems studied in the literature. Unexpectedly, we find that the two formulations of the physics loss often give rise to similar landscapes, which appear smooth, well-conditioned, and convex in the vicinity of the solution. The purpose of this work is to introduce the loss landscape perspective to the scientific machine learning community, compare the Deep Ritz and the strong form losses, and to challenge prevailing intuitions about the complexity of the loss landscapes of physics-informed networks.
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