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Two Sides of the Same Coin: Heterophily and Oversmoothing in Graph Convolutional Neural Networks (2102.06462v8)

Published 12 Feb 2021 in cs.LG

Abstract: In node classification tasks, graph convolutional neural networks (GCNs) have demonstrated competitive performance over traditional methods on diverse graph data. However, it is known that the performance of GCNs degrades with increasing number of layers (oversmoothing problem) and recent studies have also shown that GCNs may perform worse in heterophilous graphs, where neighboring nodes tend to belong to different classes (heterophily problem). These two problems are usually viewed as unrelated, and thus are studied independently, often at the graph filter level from a spectral perspective. We are the first to take a unified perspective to jointly explain the oversmoothing and heterophily problems at the node level. Specifically, we profile the nodes via two quantitative metrics: the relative degree of a node (compared to its neighbors) and the node-level heterophily. Our theory shows that the interplay of these two profiling metrics defines three cases of node behaviors, which explain the oversmoothing and heterophily problems jointly and can predict the performance of GCNs. Based on insights from our theory, we show theoretically and empirically the effectiveness of two strategies: structure-based edge correction, which learns corrected edge weights from structural properties (i.e., degrees), and feature-based edge correction, which learns signed edge weights from node features. Compared to other approaches, which tend to handle well either heterophily or oversmoothing, we show that {our model, GGCN}, which incorporates the two strategies performs well in both problems.

Citations (232)

Summary

  • The paper introduces a unified framework that simultaneously addresses oversmoothing and heterophily in GCNs using novel node metrics.
  • It proposes the Generalized GCN model with structure-based and feature-based edge correction strategies to improve performance.
  • Empirical results demonstrate that the GGCN outperforms standard models in heterophilous graphs while remaining robust in homophilous settings.

An Analysis on Heterophily and Oversmoothing in Graph Convolutional Neural Networks

The paper "Two Sides of the Same Coin: Heterophily and Oversmoothing in Graph Convolutional Neural Networks" tackles pivotal challenges in the use of Graph Convolutional Networks (GCNs) for node classification tasks. The authors present a unified theoretical framework addressing two prominent issues in GCNs: oversmoothing and heterophily. Historically, these problems have been studied independently, often with distinct solutions that lack a cohesive theoretical basis. This research offers a novel perspective by analyzing these issues simultaneously, providing valuable insights into their interplay and implications.

Core Contributions

The paper introduces two fundamental metrics: relative node degree compared to its neighbors and node-level heterophily. These metrics form the backbone of a theoretical framework that jointly addresses oversmoothing and heterophily at the node level. The authors categorize node behavior into three distinct cases based on these metrics, each leading to different impacts on a GCN's performance. The analysis demonstrates the capability to predict the performance tendencies of GCNs under varying graph properties.

A significant contribution is the introduction of the Generalized Graph Convolutional Network (GGCN) model. The GGCN implements two strategies: structure-based edge correction and feature-based edge correction. The former learns corrected edge weights from node degrees, while the latter utilizes signed edge weights determined by node features. This dual approach allows GGCN to effectively handle the challenges posed by both heterophily and oversmoothing in graphs.

Theoretical Framework

The paper explores a theoretical exploration of node movements across GCN layers, positing that nodes evolve in distinct patterns under the influence of relative degree and heterophily. The authors show that nodes tend to affect oversmoothing and heterophily differently based on their initial homophily and degree, a finding supported through rigorous mathematical derivation. The proposed framework suggests that oversmoothing frequently results from the pooling of low-degree nodes or nodes in heterophilous environments, leading to uniform node representations.

The introduction of signed edge weights is put forth as a potent tool to counter these effects, underlining that when neighboring nodes exert diverse class influence, negative edge weights can mitigate adverse smoothing effects. This proposition adds a rich layer to the theoretical model's predictive power.

Empirical Evidence

Through a comprehensive set of experiments covering various datasets with different homophily levels, the paper demonstrates that GGCN outperforms existing models in heterophilous graphs and remains competitive in homophilous settings. Unlike traditional GCNs, which deteriorate in performance with increased layers (oversmoothing), GGCN exhibits robustness, maintaining or even enhancing performance with deeper architecture due to its dual correction schemes.

The experimental data reinforce the theoretical claims by showing GGCN's adaptability across a spectrum of graph structures. It effectively handles both low- and high-degree nodes and nodes with varying class similarities, thereby validating the model's proposed design choices.

Implications and Future Directions

The implications of this research are broad, impacting both the practical deployment of GCNs and theoretical explorations of graph-based learning. Practically, GGCN provides a versatile tool for graph-based tasks in heterogeneous datasets typical of real-world applications such as bioinformatics and social networks. Theoretically, this unification opens avenues for new insights into graph neural network design, urging future work to explore multi-class scenarios or the integration of these insights into other graph learning paradigms.

On the horizon, future work could examine the interplay between these metrics and more complex graph transformations, explore alternative correction strategies, or extend the analysis to dynamic or evolving graphs where network topology may change over time.

Conclusion

This paper offers a substantial leap forward in understanding and addressing the core challenges of heterophily and oversmoothing in GCNs. By grounding these phenomena in a coherent theoretical framework and validating their findings with empirical evidence, the authors provide crucial insights that can guide future research directions and practical applications in graph neural networks.