提出多项式谱滤波的胞腔层流网络,实现高效稳定的消息传递。
Polynomial Neural Sheaf Diffusion: A Spectral Filtering Approach on Cellular Sheaves
- 用多项式拟合谱响应,通过三阶递推计算扩散算子。
- 单层实现K跳感知范围,精度超越现有方法且仅需对角限制映射。
- 适合处理异质图与高维节点特征,显著降低内存与计算开销。
胞腔神经网络为图结构引入胞腔层流:一种几何结构,为节点和边分配局部向量空间(茎)及可学习的限制/传输映射,提供边缘感知归纳偏置,有效应对异质性并缓解过度平滑问题。然而,常见的神经层流扩散实现依赖SVD层流归一化和密集的每边限制映射,其复杂度随茎维度增长,需频繁重建拉普拉斯矩阵,且梯度易不稳定。为此,本文提出多项式神经层流扩散(PolyNSD),其传播算子为归一化层流拉普拉斯的K次多项式,通过谱重缩放算子的稳定三阶递推求解。该方法在单层中实现独立于茎维度的K跳接收域,通过K+1个正交多项式基函数的凸组合获得可训练谱响应。PolyNSD通过凸组合、谱重缩放与残差/门控路径保证稳定性,在同质与异质基准上均达到新最优性能,颠覆了传统神经层流扩散趋势:仅用对角限制映射即可达成高精度,解耦性能与大茎维度,并大幅降低运行时间和内存消耗。
原文摘要 · Abstract (English)
Sheaf Neural Networks equip graph structures with a cellular sheaf: a geometric structure which assigns local vector spaces (stalks) and a linear learnable restriction/transport maps to nodes and edges, yielding an edge-aware inductive bias that handles heterophily and limits oversmoothing. However, common Neural Sheaf Diffusion implementations rely on SVD-based sheaf normalization and dense per-edge restriction maps, which scale with stalk dimension, require frequent Laplacian rebuilds, and yield brittle gradients. To address these limitations, we introduce Polynomial Neural Sheaf Diffusion (PolyNSD), a new sheaf diffusion approach whose propagation operator is a degree-K polynomial in a normalised sheaf Laplacian, evaluated via a stable three-term recurrence on a spectrally rescaled operator. This provides an explicit K-hop receptive field in a single layer (independently of the stalk dimension), with a trainable spectral response obtained as a convex mixture of K+1 orthogonal polynomial basis responses. PolyNSD enforces stability via convex mixtures, spectral rescaling, and residual/gated paths, reaching new state-of-the-art results on both homophilic and heterophilic benchmarks, inverting the Neural Sheaf Diffusion trend by obtaining these results with just diagonal restriction maps, decoupling performance from large stalk dimension, while reducing runtime and memory requirements.
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