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Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations

Created by
  • Haebom

Author

Fred Xu, Thomas Markovich

Outline

Graph neural networks have achieved impressive results in various network modeling tasks, but accurately estimating uncertainty in graphs, especially under distribution shifts, remains challenging. In this paper, we draw on the similarities between the evolution of stochastic partial differential equations (SPDEs) driven by Mater Gaussian Processes and message passing using GNN layers. Drawing inspiration from the Gaussian Process approach, we propose a novel message passing approach that incorporates spatiotemporal noise. This approach simultaneously captures uncertainty across space and time and allows explicit control over the smoothness of the covariance kernel, improving uncertainty estimation in both low- and high-label graphs. Extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label information demonstrate the robustness of our model and its superiority over existing approaches.

Takeaways, Limitations

Takeaways:
We present a novel approach to solving graph-based uncertainty estimation problems by considering randomness arising from both graph structure and label distribution.
An innovative message passing method is proposed by leveraging the evolution of SPDE based on Mater Gaussian Process and the similarity of message passing.
Effectively capture uncertainty by incorporating spatiotemporal noise, and improve the accuracy of uncertainty estimation by controlling covariance kernel smoothness.
Demonstrated superior performance over existing approaches through various OOD detection experiments.
Limitations:
There is no specific mention of Limitations in the paper.
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