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We study deep neural networks for the multi-label classification (MLab) task through the lens of neural collapse (NC). Previous works have been restricted to the multi-class classification setting and discovered a prevalent NC phenomenon comprising of the following properties for the last-layer features: (i) the variability of features within every class collapses to zero, (ii) the set of feature means form an equi-angular tight frame (ETF), and (iii) the last layer classifiers collapse to the feature mean upon some scaling. We generalize the study to multi-label learning, and prove for the first time that a generalized NC phenomenon holds with the "pick-all-label'' formulation, which we term as MLab NC. While the ETF geometry remains consistent for features with a single label, multi-label scenarios introduce a unique combinatorial aspect we term the "tag-wise average" property, where the means of features with multiple labels are the scaled averages of means for single-label instances. Theoretically, under proper assumptions on the features, we establish that the only global optimizer of the pick-all-label cross-entropy loss satisfy the multi-label NC. In practice, we demonstrate that our findings can lead to better test performance with more efficient training techniques for MLab learning.
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Prevalence of neural collapse during the terminal phase of deep learning training
Modern practice for training classification deepnets involves a terminal phase of training (TPT), which begins at the epoch where training error first vanishes. During TPT, the training error stays effectively zero, while training loss is pushed toward zero. Direct measurements of TPT, for three prototypical deepnet architectures and across seven canonical classification datasets, expose a pervasive inductive bias we call neural collapse (NC), involving four deeply interconnected phenomena. (NC1) Cross-example within-class variability of last-layer training activations collapses to zero, as the individual activations themselves collapse to their class means. (NC2) The class means collapse to the vertices of a simplex equiangular tight frame (ETF). (NC3) Up to rescaling, the last-layer classifiers collapse to the class means or in other words, to the simplex ETF (i.e., to a self-dual configuration). (NC4) For a given activation, the classifier’s decision collapses to simply choosing whichever class has the closest train class mean (i.e., the nearest class center [NCC] decision rule). The symmetric and very simple geometry induced by the TPT confers important benefits, including better generalization performance, better robustness, and better interpretability.
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- PAR ID:
- 10273204
- Date Published:
- Journal Name:
- Proceedings of the National Academy of Sciences
- Volume:
- 117
- Issue:
- 40
- ISSN:
- 0027-8424
- Page Range / eLocation ID:
- 24652 to 24663
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1073/pnas.2015509117
