arXiv:2505.18289cs.LG2025-05

将消息传递GNN转化为凸优化问题,实现高效且理论可靠的图学习新方法。

Convexified Message-Passing Graph Neural Networks

  • 通过核空间映射将非线性滤波器转为凸问题,用投影梯度法求解
  • 两层CGNN在基准数据集上比主流GNN提升10%-40%准确率
  • 模型更紧凑,适合对理论可靠性要求高的场景

图神经网络(GNN)是图表示学习的关键工具,在各类预测任务中表现优异。本文提出凸化消息传递图神经网络(CGNNs),一种结合消息传递GNN能力与凸优化可解性的新框架。通过将非线性滤波器映射到再生核希尔伯特空间,CGNNs将训练转化为可高效、最优求解的凸优化问题。凸性使模型的统计性质可被精确分析。针对两层CGNN,我们建立了严格的泛化保证,证明其能收敛至最优GNN性能。为扩展至深层结构,采用合理分层训练策略。在基准数据集上的实验表明,CGNNs显著超越领先GNN模型,在多数情况下准确率提升10%-40%;少数情况下性能持平或略优,凸显其鲁棒性与普适性。不同于非凸模型依赖过参数化提升性能,本方法使用浅层凸模型即可超越非凸模型,在准确率和模型紧凑性上均占优。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and general framework that combines the power of message-passing GNNs with the tractability of convex optimization. By mapping their nonlinear filters into a reproducing kernel Hilbert space, CGNNs transform training into a convex optimization problem, which projected gradient methods can solve both efficiently and optimally. Convexity further allows CGNNs' statistical properties to be analyzed accurately and rigorously. For two-layer CGNNs, we establish rigorous generalization guarantees, showing convergence to the performance of an optimal GNN. To scale to deeper architectures, we adopt a principled layer-wise training strategy. Experiments on benchmark datasets show that CGNNs significantly exceed the performance of leading GNN models, obtaining 10-40% higher accuracy in most cases, underscoring their promise as a powerful and principled method with strong theoretical foundations. In rare cases where improvements are not quantitatively substantial, the convex models either slightly exceed or match the baselines, stressing their robustness and wide applicability. Though over-parameterization is often used to enhance performance in non-convex models, we show that our CGNNs yield shallow convex models that can surpass non-convex ones in accuracy and model compactness.

图神经网络凸优化理论分析模型压缩

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