cs.AI updates on arXiv.org 10月28日 12:14
GNN梯度消失问题分析与解决
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本文通过线性控制理论视角,对图神经网络(GNN)的梯度消失问题进行了统一分析,提出了一种新的状态空间公式以缓解过平滑和过压缩现象,并验证了GNN的设计易于出现梯度消失,以及如何通过图重连接和梯度消失缓解方法来减轻过压缩。

arXiv:2502.10818v2 Announce Type: replace-cross Abstract: Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the over-smoothing and over-squashing phenomena, which result in representational collapse as the number of layers increases and insensitivity to the information contained at distant and poorly connected nodes, respectively. In this paper, we present a unified view of these problems through the lens of vanishing gradients, using ideas from linear control theory for our analysis. We propose an interpretation of GNNs as recurrent models and empirically demonstrate that a simple state-space formulation of a GNN effectively alleviates over-smoothing and over-squashing at no extra trainable parameter cost. Further, we show theoretically and empirically that (i) GNNs are by design prone to extreme gradient vanishing even after a few layers; (ii) Over-smoothing is directly related to the mechanism causing vanishing gradients; (iii) Over-squashing is most easily alleviated by a combination of graph rewiring and vanishing gradient mitigation. We believe our work will help bridge the gap between the recurrent and graph neural network literature and will unlock the design of new deep and performant GNNs.

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图神经网络 梯度消失 过平滑 过压缩 线性控制理论
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