用离散正交多项式构建自适应谱图神经网络,提升模型稳定性与性能。
MeixnerNet: Adaptive and Robust Spectral Graph Neural Networks with Discrete Orthogonal Polynomials
- 采用可学习参数的梅克纳多项式作为图滤波器,适配不同图结构的频谱特性。
- 在K=2时性能超越或媲美ChebyNet,在3个基准上2胜1平。
- 对多项式阶数K变化极鲁棒,而传统方法易因参数敏感导致性能崩溃。
谱图神经网络(GNN)通过在频域定义图卷积取得了领先性能。主流方法如ChebyNet使用基于连续正交多项式(如切比雪夫)的滤波器,但这种连续域设计与离散图结构存在理论脱节,可能导致性能不佳且对超参数敏感。本文提出MeixnerNet,一种新型谱图神经网络,采用离散正交多项式——梅克纳多项式 $M_k(x; β, c)$,并使多项式的两个形状参数β和c可学习,使滤波器能自适应特定图的频谱特征。为克服此类多项式的严重数值不稳定性,提出结合拉普拉斯缩放与按基底归一化的新型稳定化技术。实验表明,MeixnerNet在最优设置K=2下表现优于或媲美强基准ChebyNet(3个基准中胜2个)。更关键的是,其对多项式阶数K的变化表现出极强鲁棒性,而ChebyNet在参数扰动下性能急剧下降,梅克纳网则保持稳定。
原文摘要 · Abstract (English)
Spectral Graph Neural Networks (GNNs) have achieved state-of-the-art results by defining graph convolutions in the spectral domain. A common approach, popularized by ChebyNet, is to use polynomial filters based on continuous orthogonal polynomials (e.g., Chebyshev). This creates a theoretical disconnect, as these continuous-domain filters are applied to inherently discrete graph structures. We hypothesize this mismatch can lead to suboptimal performance and fragility to hyperparameter settings. In this paper, we introduce MeixnerNet, a novel spectral GNN architecture that employs discrete orthogonal polynomials -- specifically, the Meixner polynomials $M_k(x; β, c)$. Our model makes the two key shape parameters of the polynomial, beta and c, learnable, allowing the filter to adapt its polynomial basis to the specific spectral properties of a given graph. We overcome the significant numerical instability of these polynomials by introducing a novel stabilization technique that combines Laplacian scaling with per-basis LayerNorm. We demonstrate experimentally that MeixnerNet achieves competitive-to-superior performance against the strong ChebyNet baseline at the optimal K = 2 setting (winning on 2 out of 3 benchmarks). More critically, we show that MeixnerNet is exceptionally robust to variations in the polynomial degree K, a hyperparameter to which ChebyNet proves to be highly fragile, collapsing in performance where MeixnerNet remains stable.
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