arXiv:2505.21285cs.LGstat.ML2025-05中稿 · ICML被引 1

用可学习的核密度估计检测图异常,性能优于现有方法。

Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detection

  • 用图神经网络将图转为分布,通过最大均值差异学习多尺度核密度度量。
  • 在多个基准数据集上异常检测准确率超越主流方法,尤其在复杂结构下表现突出。
  • 理论保证密度估计一致性与泛化性,适合需要高可靠性的图数据分析场景。

本文提出一种可学习的图核密度估计框架LGKDE。核心挑战在于同时捕捉图的结构模式与语义变化,并保持理论保障。传统结合图核与核密度估计(KDE)的方法因核函数手工设计且固定而表现不佳。LGKDE利用图神经网络将每张图表示为离散分布,采用最大均值差异(MMD)学习多尺度KDE的图度量,所有参数通过最大化图相对于其精心设计的扰动版本密度来学习。扰动作用于节点特征与图谱,有助于更精准刻画正常密度区域边界。理论上,我们建立了LGKDE的一致性与收敛性保证,包括均方积分误差界、鲁棒性与泛化性。实验验证了其在合成图分布密度恢复中的有效性,并在多种基准数据集上应用于图级异常检测。大量实证表明,LGKDE在多数基准数据集上优于现有最先进方法。

原文摘要 · Abstract (English)

This work proposes a framework LGKDE that learns kernel density estimation for graphs. The key challenge in graph density estimation lies in effectively capturing both structural patterns and semantic variations while maintaining theoretical guarantees. Combining graph kernels and kernel density estimation (KDE) is a standard approach to graph density estimation, but has unsatisfactory performance due to the handcrafted and fixed features of kernels. Our method LGKDE leverages graph neural networks to represent each graph as a discrete distribution and utilizes maximum mean discrepancy to learn the graph metric for multi-scale KDE, where all parameters are learned by maximizing the density of graphs relative to the density of their well-designed perturbed counterparts. The perturbations are conducted on both node features and graph spectra, which helps better characterize the boundary of normal density regions. Theoretically, we establish consistency and convergence guarantees for LGKDE, including bounds on the mean integrated squared error, robustness, and generalization. We validate LGKDE by demonstrating its effectiveness in recovering the underlying density of synthetic graph distributions and applying it to graph anomaly detection across diverse benchmark datasets. Extensive empirical evaluation shows that LGKDE demonstrates superior performance compared to state-of-the-art baselines on most benchmark datasets.

图神经网络异常检测密度估计可学习核

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