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Empowering Graph Invariance Learning with Deep Spurious Infomax

About

Recently, there has been a surge of interest in developing graph neural networks that utilize the invariance principle on graphs to generalize the out-of-distribution (OOD) data. Due to the limited knowledge about OOD data, existing approaches often pose assumptions about the correlation strengths of the underlying spurious features and the target labels. However, this prior is often unavailable and will change arbitrarily in the real-world scenarios, which may lead to severe failures of the existing graph invariance learning methods. To bridge this gap, we introduce a novel graph invariance learning paradigm, which induces a robust and general inductive bias. The paradigm is built upon the observation that the infomax principle encourages learning spurious features regardless of spurious correlation strengths. We further propose the EQuAD framework that realizes this learning paradigm and employs tailored learning objectives that provably elicit invariant features by disentangling them from the spurious features learned through infomax. Notably, EQuAD shows stable and enhanced performance across different degrees of bias in synthetic datasets and challenging real-world datasets up to $31.76\%$. Our code is available at \url{https://github.com/tianyao-aka/EQuAD}.

Tianjun Yao, Yongqiang Chen, Zhenhao Chen, Kai Hu, Zhiqiang Shen, Kun Zhang• 2024

Related benchmarks

TaskDatasetResultRank
Graph ClassificationDrugOOD EC50 (OOD test)
ROC AUC79.36
52
molecule property predictionDrugOOD-EC50 (assay)
Average Accuracy77.24
40
molecule property predictionDrugOOD-IC50 (assay)
Average Accuracy70.58
40
Graph ClassificationGOOD-Motif size
Accuracy60.82
31
Graph ClassificationGOOD-Motif (basis)
Accuracy72.97
31
Graph ClassificationHIV GraphOOD (test)
ROC-AUC72.24
26
Graph ClassificationDrugOOD IC50 (test)
ROC AUC73.26
24
molecule property predictionDrugOOD-EC50 (scaffold)
Average Accuracy66.98
20
molecule property predictionDrugOOD-IC50 (scaffold)
Average Accuracy66.35
20
Graph ClassificationGOOD-HIV size
Accuracy65.29
19
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