用重参数化扩散模型实现图节点分类的结构化预测,提升大规模场景下的性能与效率。
ReDiSC: A Reparameterized Masked Diffusion Model for Scalable Node Classification with Structured Predictions
- 通过重参数化掩码扩散模型建模节点标签联合分布,显式捕捉标签相关性。
- 在异质与同质图上均优于或媲美主流GNN与扩散模型,在大尺度数据集上表现突出。
- 适合需要高效结构化预测的大规模图分析任务,尤其适用于计算受限场景。
近年来,图神经网络(GNN)在节点分类任务中取得了前所未有的成功。尽管GNN本身蕴含特定归纳偏置(如低通或高通滤波特性),但多数现有方法在其优化目标中隐式假设节点标签条件独立,这虽适用于图像识别等传统分类任务,却违背了图中节点标签即使在给定图结构后仍保持相关性的直观观察。为实现节点标签的结构化预测,我们提出ReDiSC(Reparameterized masked Diffusion model for Structured node Classification)。ReDiSC利用重参数化掩码扩散模型估计节点标签的联合分布,通过变分期望-最大化(EM)框架进行学习。理论分析表明,ReDiSC在E步中相比基于流形约束扩散模型的DPM-SNC具有更高的计算效率。同时,我们明确将ReDiSC的M步目标与流行的GNN与标签传播混合方法相联系。大量实验表明,ReDiSC在不同规模的同质与异质图上均达到优于或接近最先进的性能,且在以往结构化扩散方法因计算限制而失效的大规模数据集上仍能有效扩展,凸显其在结构化节点分类任务中的显著实际优势。
原文摘要 · Abstract (English)
In recent years, graph neural networks (GNN) have achieved unprecedented successes in node classification tasks. Although GNNs inherently encode specific inductive biases (e.g., acting as low-pass or high-pass filters), most existing methods implicitly assume conditional independence among node labels in their optimization objectives. While this assumption is suitable for traditional classification tasks such as image recognition, it contradicts the intuitive observation that node labels in graphs remain correlated, even after conditioning on the graph structure. To make structured predictions for node labels, we propose ReDiSC, namely, Reparameterized masked Diffusion model for Structured node Classification. ReDiSC estimates the joint distribution of node labels using a reparameterized masked diffusion model, which is learned through the variational expectation-maximization (EM) framework. Our theoretical analysis shows the efficiency advantage of ReDiSC in the E-step compared to DPM-SNC, a state-of-the-art model that relies on a manifold-constrained diffusion model in continuous domain. Meanwhile, we explicitly link ReDiSC's M-step objective to popular GNN and label propagation hybrid approaches. Extensive experiments demonstrate that ReDiSC achieves superior or highly competitive performance compared to state-of-the-art GNN, label propagation, and diffusion-based baselines across both homophilic and heterophilic graphs of varying sizes. Notably, ReDiSC scales effectively to large-scale datasets on which previous structured diffusion methods fail due to computational constraints, highlighting its significant practical advantage in structured node classification tasks.
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