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Graph neural networks (GNNs) have become increasingly popular for classification tasks on graph-structured data. Yet, the interplay between graph topology and feature evolution in GNNs is not well understood. In this paper, we focus on node- wise classification, illustrated with community detection on stochastic block model graphs, and explore the feature evolution through the lens of the “Neural Collapse” (NC) phenomenon. When training instance-wise deep classifiers (e.g. for image classification) beyond the zero training error point, NC demonstrates a reduction in the deepest features’ within-class variability and an increased alignment of their class means to certain symmetric structures. We start with an empirical study that shows that a decrease in within-class variability is also prevalent in the node-wise classification setting, however, not to the extent observed in the instance-wise case. Then, we theoretically study this distinction. Specifically, we show that even an “optimistic” mathematical model requires that the graphs obey a strict structural condition in order to possess a minimizer with exact collapse. Interestingly, this condition is viable also for heterophilic graphs and relates to recent empirical studies on settings with improved GNNs’ generalization. Furthermore, by studying the gradient dynamics of the theoretical model, we provide reasoning for the partial collapse observed empirically. Finally, we present a study on the evolution of within- and between-class feature variability across layers of a well-trained GNN and contrast the behavior with spectral methods. 

A major factor in the success of deep neural networks is the use of sophisticated architectures rather than the classical multilayer perceptron (MLP). Residual networks (ResNets) stand out among these powerful modern architectures. Previous works focused on the optimization advantages of deep ResNets over deep MLPs. In this paper, we show another distinction between the two models, namely, a tendency of ResNets to promote smoother interpolations than MLPs. We analyze this phenomenon via the neural tangent kernel (NTK) approach. First, we compute the NTK for a considered ResNet model and prove its stability during gradient descent training. Then, we show by various evaluation methodologies that for ReLU activations the NTK of ResNet, and its kernel regression results, are smoother than the ones of MLP. The better smoothness observed in our analysis may explain the better generalization ability of ResNets and the practice of moderately attenuating the residual blocks.