# Score-based Conditional Out-of-Distribution Augmentation for Graph Covariate Shift

arXiv: https://arxiv.org/abs/2410.17506 · HTML: https://mlsanity.com/paper/2410.17506/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 23 of its 44 references that are in the map.
- First posted on arXiv 23 Oct 2024.

## Builds on (most cited first, 23 of 23)

- [How Powerful are Graph Neural Networks?](https://mlsanity.com/paper/1810.00826/) (2018)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [Domain-Adversarial Training of Neural Networks](https://mlsanity.com/paper/1505.07818/) (2015)
- [Invariant Risk Minimization](https://mlsanity.com/paper/1907.02893/) (2019)
- [Distributionally Robust Neural Networks for Group Shifts: On the Importance of Regularization for Worst-Case Generalization](https://mlsanity.com/paper/1911.08731/) (2019)
- [Deep CORAL: Correlation Alignment for Deep Domain Adaptation](https://mlsanity.com/paper/1607.01719/) (2016)
- [DiGress: Discrete Denoising diffusion for graph generation](https://mlsanity.com/paper/2209.14734/) (2022)
- [GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models](https://mlsanity.com/paper/1802.08773/) (2018)
- [The Risks of Invariant Risk Minimization](https://mlsanity.com/paper/2010.05761/) (2020)
- [Invariance Principle Meets Information Bottleneck for Out-of-Distribution Generalization](https://mlsanity.com/paper/2106.06607/) (2021)
- [Graph Random Neural Network for Semi-Supervised Learning on Graphs](https://mlsanity.com/paper/2005.11079/) (2020)
- [Fr'echet ChemNet Distance: A metric for generative models for molecules in drug discovery](https://mlsanity.com/paper/1803.09518/) (2018)
- [MoFlow: An Invertible Flow Model for Generating Molecular Graphs](https://mlsanity.com/paper/2006.10137/) (2020)
- [Interpretable and Generalizable Graph Learning via Stochastic Attention Mechanism](https://mlsanity.com/paper/2201.12987/) (2022)
- [Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs](https://mlsanity.com/paper/2202.05441/) (2022)
- [GOOD: A Graph Out-of-Distribution Benchmark](https://mlsanity.com/paper/2206.08452/) (2022)
- [Out-Of-Distribution Generalization on Graphs: A Survey](https://mlsanity.com/paper/2202.07987/) (2022)
- [Exploring Chemical Space with Score-based Out-of-distribution Generation](https://mlsanity.com/paper/2206.07632/) (2022)
- [On Evaluation Metrics for Graph Generative Models](https://mlsanity.com/paper/2201.09871/) (2022)
- [Does Invariant Graph Learning via Environment Augmentation Learn Invariance?](https://mlsanity.com/paper/2310.19035/) (2023)
- [Unleashing the Power of Graph Data Augmentation on Covariate Distribution Shift](https://mlsanity.com/paper/2211.02843/) (2022)
- [Graph Out-of-Distribution Generalization via Causal Intervention](https://mlsanity.com/paper/2402.11494/) (2024)
- [Enhancing Size Generalization in Graph Neural Networks through Disentangled Representation Learning](https://mlsanity.com/paper/2406.04601/) (2024)

## Abstract (arXiv)

Distribution shifts between training and testing datasets significantly impair the model performance on graph learning. A commonly-taken causal view in graph invariant learning suggests that stable predictive features of graphs are causally associated with labels, whereas varying environmental features lead to distribution shifts. In particular, covariate shifts caused by unseen environments in test graphs underscore the critical need for out-of-distribution (OOD) generalization. Existing graph augmentation methods designed to address the covariate shift often disentangle the stable and environmental features in the input space, and selectively perturb or mixup the environmental features. However, such perturbation-based methods heavily rely on an accurate separation of stable and environmental features, and their exploration ability is confined to existing environmental features in the training distribution. To overcome these limitations, we introduce a novel distributional augmentation approach enabled by a tailored score-based conditional graph generation strategies to explore and synthesize unseen environments while preserving the validity and stable features of overall graph patterns. Our comprehensive empirical evaluations demonstrate the enhanced effectiveness of our method in improving graph OOD generalization.