Online Bayesian Node Classification on Inductive Graphs under Distribution Shift
Organizations: School of Electrical and Computer Engineering, University of Georgia, Athens, GA, USA · Department of Electrical and Computer Engineering, University of Rochester, Rochester, NY, USA
Abstract
On evolving graphs, node classifiers must satisfy two key requirements: inductive generalization to newly arriving nodes under distribution shift and calibrated uncertainty for safety-sensitive applications. Standard graph neural networks (GNNs) are typically trained once and address neither requirement. We adapt the Bayesian last-layer (BLL) model by placing random last-layer parameters on top of a deterministic GNN encoder for uncertainty quantification. The categorical softmax likelihood required for classification breaks Gaussian conjugacy, so neither the training posterior nor the test-time streaming update has a closed-form solution. To address both challenges, we introduce a variational Bayesian last-layer (VBLL) objective that jointly trains the encoder and an approximate last-layer posterior by maximizing an evidence lower bound with a Monte Carlo expected log-likelihood. At test time, we freeze the encoder and apply an online Laplace update to the last-layer posterior. This update corresponds to a power-prior Bayesian model with exponential forgetting and a Kullback-Leibler anchor to the training posterior. Across five node-classification benchmarks under distribution shift, online GVBLL is the only method to achieve the best accuracy and negative log-likelihood on every dataset. It improves accuracy by up to 17 percentage points on Cora and 14 percentage points on ogbn-arxiv over the strongest non-GVBLL baseline, while remaining competitive in calibration with MC Dropout, Deep Ensembles, Temperature Scaling, and Gaussian-process classifiers.
Figures & tables
| GNN Baselines | Standard UQ | Gaussian Process | GVBLL (Ours) | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dataset | GraphSAGE | GCN | GAT | GIN | MCDropout | DE | TempScale | GP-SAGE | GP-GCN | GP-GAT | Static | Online | |
| Cora | Acc | 51.46 | 62.19 | 63.74 | 54.81 | 63.32 | 64.73 | 63.74 | 30.17 | 43.94 | 30.17 | 81.43 | 81.86 |
| NLL | 1.48 | 1.24 | 1.23 | 3.50 | 1.27 | 1.22 | 1.14 | 1.85 | 1.58 | 1.86 | 0.67 | 0.59 | |
| ECE | 0.16 | 0.18 | 0.22 | 0.28 | 0.25 | 0.23 | 0.15 | 0.07 | 0.13 | 0.07 | 0.11 | 0.11 | |
| Cornell | Acc | 57.50 | 41.39 | 46.67 | 45.56 | 60.83 | 56.39 | 60.28 | 45.56 | 43.33 | 43.89 | 67.14 | 69.00 |
| NLL | 1.21 | 2.04 | 1.39 | 4.56 | 1.11 | 1.16 | 1.14 | 1.41 | 1.47 | 1.47 | 0.97 | 0.95 | |