arXiv:2506.07624cs.LG2025-06NeurIPS被引 17

重振被忽视的ChebNet,提升长距离图神经网络性能

Return of ChebNet: Understanding and Improving an Overlooked GNN on Long Range Tasks

  • 将ChebNet建模为稳定动力系统,避免训练不稳问题
  • 在长距离任务上表现优于经典MPNN和图变压器
  • 无需特征编码或图重连,保持高效计算特性

ChebNet作为最早的谱图神经网络之一,长期被消息传递神经网络(MPNN)掩盖。尽管MPNN在局部结构建模上有效,但难以捕捉节点间的长距离依赖。为此,研究者尝试通过重连或使用图变压器改进,却牺牲了早期空间消息传递架构的计算效率并忽略图结构。近十年后,我们重新审视ChebNet在长距离任务中的表现,发现其未经修改时已在长距离基准上表现优于传统MPNN和图变压器,并具备高阶多项式扩展的良好可扩展性。然而,我们发现多项式展开导致训练不稳定。为此,我们将ChebNet重构为稳定且非耗散的动力系统,提出Stable-ChebNet。该模型实现稳定信息传播,动态可控,无需特征分解、位置编码或图重连。在多个基准测试中,Stable-ChebNet达到接近最先进水平。

原文摘要 · Abstract (English)

ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dependencies between nodes. This has led researchers to adapt MPNNs through rewiring or make use of Graph Transformers, which compromises the computational efficiency that characterized early spatial message-passing architectures, and typically disregards the graph structure. Almost a decade after its original introduction, we revisit ChebNet to shed light on its ability to model distant node interactions. We find that out-of-box, ChebNet already shows competitive advantages relative to classical MPNNs and GTs on long-range benchmarks, while maintaining good scalability properties for high-order polynomials. However, we uncover that this polynomial expansion leads ChebNet to an unstable regime during training. To address this limitation, we cast ChebNet as a stable and non-dissipative dynamical system, which we coin Stable-ChebNet. Our Stable-ChebNet model allows for stable information propagation, and has controllable dynamics which do not require the use of eigendecompositions, positional encodings, or graph rewiring. Across several benchmarks, Stable-ChebNet achieves near state-of-the-art performance.

图神经网络长程依赖稳定性优化

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