Improvements on Uncertainty Quantification for Node Classification via Distance Based Regularization

Part of Advances in Neural Information Processing Systems 36 (NeurIPS 2023) Main Conference Track

Bibtex Paper Supplemental


Russell Hart, Linlin Yu, Yifei Lou, Feng Chen


Deep neural networks have achieved significant success in the last decades, but they are not well-calibrated and often produce unreliable predictions. A large number of literature relies on uncertainty quantification to evaluate the reliability of a learning model, which is particularly important for applications of out-of-distribution (OOD) detection and misclassification detection. We are interested in uncertainty quantification for interdependent node-level classification. We start our analysis based on graph posterior networks (GPNs) that optimize the uncertainty cross-entropy (UCE)-based loss function. We describe the theoretical limitations of the widely-used UCE loss. To alleviate the identified drawbacks, we propose a distance-based regularization that encourages clustered OOD nodes to remain clustered in the latent space. We conduct extensive comparison experiments on eight standard datasets and demonstrate that the proposed regularization outperforms the state-of-the-art in both OOD detection and misclassification detection.