Spiking Graph Predictive Coding for Reliable OOD Generalization

Graph Neural Networks (GNNs) have demonstrated remarkable success across diverse tasks. However, their generalization capability is often hindered by spurious correlations between node features and labels in the graph. Our analysis reveals that GNNs tend to exploit imperceptible statistical correlations in training data, even when such correlations are unreliable for prediction. To address this challenge, we propose the Spurious Correlation Learning Graph Neural Network (SCL-GNN), a novel framework designed to enhance generalization on both Independent and Identically Distributed (IID) and Out-of-Distribution (OOD) graphs. SCL-GNN incorporates a principled spurious correlation learning mechanism, leveraging the Hilbert-Schmidt Independence Criterion (HSIC) to quantify correlations between node representations and class scores. This enables the model to identify and mitigate irrelevant but influential spurious correlations effectively. Additionally, we introduce an efficient bi-level optimization strategy to jointly optimize modules and GNN parameters, preventing overfitting. Extensive experiments on real-world and synthetic datasets demonstrate that SCL-GNN consistently outperforms state-of-the-art baselines under various distribution shifts, highlighting its robustness and generalization capabilities.

Reliable deployment of graph neural networks requires calibration, out-of-distribution (OOD) detection, and robustness to distribution shift, yet existing methods address these needs with separate models and objectives. We model uncertain node embeddings as random graph signals: graph Fourier filters capture structural variation, and a scalar orthogonal-polynomial chaos coordinate captures latent stochastic variation. The resulting doubly-spectral stochastic (DSS) expansion supplies task-matched readouts from one representation: the mean coefficient encodes class evidence for the energy-based OOD score, the higher-order coefficients encode structured logit variation, and quadrature averaging over the chaos coordinate defines the single predictive distribution used for prediction and calibration. A capacity theorem shows that, under a full-rank feature assumption, a restricted subfamily matches the chaos coefficients of any Gaussian-latent random graph signal, with exponentially decaying truncation error under a growth condition; the task-level claims are established empirically. DSS-GNN has two deployment modes: standalone, or as a residual branch beside a deterministic encoder (DSS-Hybrid). Standalone DSS-GNN achieves the lowest Brier score among the compared uncertainty-aware baselines on all 14 node classification benchmarks without post-hoc correction; DSS-Hybrid achieves the best AUROC on most node-OOD settings, competitive cross-graph OOD detection, and the strongest shifted accuracy on all 7 GOOD concept-shift benchmarks under standard empirical risk minimization (ERM). Cross-evaluating both modes on all three tasks shows that each remains effective on the other's tasks, with documented exceptions, and yields explicit deployment guidance.

Although dynamic graph neural networks (DyGNNs) have demonstrated promising capabilities, most existing methods ignore out-of-distribution (OOD) shifts that commonly exist in dynamic graphs. Dynamic graph OOD generalization is non-trivial due to the following challenges: 1) Identifying invariant and variant patterns amid complex graph evolution, 2) Capturing the intrinsic evolution rationale from these patterns, and 3) Ensuring model generalization across diverse OOD shifts despite limited data distribution observations. Although several attempts have been made to tackle these challenges, none has successfully addressed all three simultaneously, and they face various limitations in complex OOD scenarios. To solve these issues, we propose a Dynamic graph Causal Invariant Learning (DyCIL) model for OOD generalization via exploiting invariant spatio-temporal patterns from a causal view. Specifically, we first develop a dynamic causal subgraph generator to identify causal dynamic subgraphs explicitly. Next, we design a causal-aware spatio-temporal attention module to extract the intrinsic evolution rationale behind invariant patterns. Finally, we further introduce an adaptive environment generator to capture the underlying dynamics of distributional shifts. Extensive experiments on both real-world and synthetic dynamic graph datasets demonstrate the superiority of our model over state-of-the-art baselines in handling OOD shifts.