ABSTRACT
While deep learning has enabled significant advances in many areas of science, its black-box nature hinders architecture design for future artificial intelligence applications and interpretation for high-stakes decision-makings. We addressed this issue by studying the fundamental question of how deep neural networks process data in the intermediate layers. Our finding is a simple and quantitative law that governs how deep neural networks separate data according to class membership throughout all layers for classification. This law shows that each layer improves data separation at a constant geometric rate, and its emergence is observed in a collection of network architectures and datasets during training. This law offers practical guidelines for designing architectures, improving model robustness and out-of-sample performance, as well as interpreting the predictions.
ABSTRACT
In this paper, we introduce the Layer-Peeled Model, a nonconvex, yet analytically tractable, optimization program, in a quest to better understand deep neural networks that are trained for a sufficiently long time. As the name suggests, this model is derived by isolating the topmost layer from the remainder of the neural network, followed by imposing certain constraints separately on the two parts of the network. We demonstrate that the Layer-Peeled Model, albeit simple, inherits many characteristics of well-trained neural networks, thereby offering an effective tool for explaining and predicting common empirical patterns of deep-learning training. First, when working on class-balanced datasets, we prove that any solution to this model forms a simplex equiangular tight frame, which, in part, explains the recently discovered phenomenon of neural collapse [V. Papyan, X. Y. Han, D. L. Donoho, Proc. Natl. Acad. Sci. U.S.A. 117, 24652-24663 (2020)]. More importantly, when moving to the imbalanced case, our analysis of the Layer-Peeled Model reveals a hitherto-unknown phenomenon that we term Minority Collapse, which fundamentally limits the performance of deep-learning models on the minority classes. In addition, we use the Layer-Peeled Model to gain insights into how to mitigate Minority Collapse. Interestingly, this phenomenon is first predicted by the Layer-Peeled Model before being confirmed by our computational experiments.