Structure-Feature Aligned Graph Learning via Alternating Constrained Optimization
Authors: Chengcheng Yan, Qingsong Wang
Organizations: College of Artificial Intelligence, Shaoxing Institute of Technology, Shaoxing, 312000, China. · School of Mathematics and Computational Science, Xiangtan University, Xiangtan, 411105, China.
We introduce a constrained two-view framework for node prediction that aligns structure-conditioned GNN embeddings with a structure-free feature prior learned by an anchor model. Conventional Graph Neural Networks (GNNs) couple feature transformation and neighborhood aggregation, which renders them vulnerable to topology noise and heterophilous connections. To decouple this dependency, our framework utilizes an independent anchor network to capture intrinsic attribute features via a self-supervised reconstruction objective. Furthermore, we propose a Channel-Split Adaptive Gated GNN (CSAG-GNN) that dynamically routes representations between global spectral smoothing and local spatial discrimination through a node-wise gating mechanism. We propose a stable cyclic alternating optimization strategy to solve the resulting coupled bi-level objective, preventing mutual representation drift during training. Empirical results on both homophilous and heterophilous benchmarks show balanced performance gains and structural robustness over competitive baselines.
Graph neural networks (GNNs) excel at aggregating neighbor information for classification, yet their performance is hindered by graph structural entanglement, where spurious correlations from semantically irrelevant neighbors contaminate node embeddings. This challenge is most acute for nodes near class boundaries in the embedding space, where amplified structural noise blurs decision boundaries and destabilizes predictions. Existing robust GNN methods largely treat all nodes uniformly, ignoring boundary vulnerabilities. In this paper, to improve classification performance, we tackle graph structural disentanglement by identifying boundary-region entanglement as the primary bottleneck and propose Boundary Embedding Shaping (BES), an adaptive contrastive learning GNN plug-in module that selectively suppresses spurious structural noise at decision boundaries with minimal model parameter perturbation. Extensive experiments demonstrate that BES consistently improves boundary discrimination and outperforms existing leading methods. Notably, BES boosts GCN performance by an average of 3.3% in node classification (up to 5.0% on WikiCS) and achieves superior accuracy in link prediction.
Graph neural networks have achieved strong performance in node classification by aggregating information from graph neighborhoods. However, a single aggregation mechanism may be insufficient to capture diverse structural patterns across graph datasets. Moreover, independently training multiple structural branches can introduce substantial overhead without necessarily producing stable node representations. To address these issues, this paper proposes PreGS, a parameter-transfer-based multi-expert graph neural network framework. PreGS first pretrains a multi-head graph attention network (GAT) and transfers the linear transformation weights of its first-layer attention heads to multiple GraphSAGE experts. The transferred experts are frozen and used as complementary structural branches. The fused raw node features, GAT head representations, and GraphSAGE expert representations are fed into a multilayer perceptron (MLP), whose output is further fused with the pretrained GAT logits. Based on PreGS, we further develop PreGSv2, which introduces source-level weighting and a structural gating mechanism for adaptive multi-source feature integration. Experiments on eight public graph datasets show that PreGS and PreGSv2 achieve competitive performance against representative graph neural network baselines. Ablation, parameter-transfer, sensitivity, aggregator, visualization, and training-time analyses further validate the effectiveness and stability of the proposed framework. The code and datasets are available at https://github.com/LH-Czc/PreGS.
We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping edges. We frame this problem as a self-supervised learning task and present several methods to generate graph alignment datasets using synthetic random graphs and real-world graph datasets from multiple domains. For a given graph dataset, we generate a family of graph alignment datasets with increasing difficulty, allowing us to rank the performance of various architectures. Our experiments prove that there is an optimal task difficulty for having a statistically relevant ranking of different models and that, even on a structure-only task, anisotropic models perform better compared to isotropic ones. To further prove that our synthetic task capture meaningful information, we show its effectiveness for self-supervised GNN pre-training: the learned node embeddings can be leveraged as positional encodings by transformers for graph regression or can be used to reconstruct the full structure of the graph with 98% accuracy. To support reproducibility and further research, we provide an open-source Python package to generate graph alignment datasets and benchmark new GNN architectures. The source code is available at https://github.com/adrien-lagesse/graph-alignment-benchmark.