arXiv:2511.06598cs.LG2025-11中稿 · AAAI被引 3

自适应残差连接提升图神经网络表达能力,理论保障不平滑。

Adaptive Initial Residual Connections for GNNs with Theoretical Guarantees

  • 节点级自适应残差强度,避免深层信息衰减
  • 证明嵌入的Dirichlet能量有下界,防止过度平滑
  • 在异质图上优于主流方法,且可高效实现

消息传递是图神经网络的核心操作,节点通过聚合邻域信息更新嵌入表示。然而,在深层结构中,该过程常导致表达能力下降。一种常见解决方案是使用残差连接,将当前层输入加到邻域聚合结果中以保留嵌入。本文研究了一种自适应残差机制,不同节点具有不同的残差强度。理论上证明该方法可防止过度平滑:嵌入的Dirichlet能量始终保持远离零。这是首个针对自适应残差设置的理论保证,也是首个对静态残差(残差强度全图共享)在带激活函数情形下的理论结果。大量实验表明,该方法在异质图上显著优于标准及现有先进消息传递机制。为进一步降低时间复杂度,我们提出一种无需学习的启发式残差强度设定方案,性能与可学习版本相当。

原文摘要 · Abstract (English)

Message passing is the core operation in graph neural networks, where each node updates its embeddings by aggregating information from its neighbors. However, in deep architectures, this process often leads to diminished expressiveness. A popular solution is to use residual connections, where the input from the current (or initial) layer is added to aggregated neighbor information to preserve embeddings across layers. Following a recent line of research, we investigate an adaptive residual scheme in which different nodes have varying residual strengths. We prove that this approach prevents oversmoothing; particularly, we show that the Dirichlet energy of the embeddings remains bounded away from zero. This is the first theoretical guarantee not only for the adaptive setting, but also for static residual connections (where residual strengths are shared across nodes) with activation functions. Furthermore, extensive experiments show that this adaptive approach outperforms standard and state-of-the-art message passing mechanisms, especially on heterophilic graphs. To improve the time complexity of our approach, we introduce a variant in which residual strengths are not learned but instead set heuristically, a choice that performs as well as the learnable version.

图神经网络残差连接理论保障异质图

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