arXiv Machine Learning
3d ago

Implicit Feature Reweighting for Label-Free Graph Generalization

SCARCE is a label‑free representation‑learning framework that improves graph‑level out‑of‑distribution generalization. It uses an environment partition of training graphs—derived from metadata or self‑supervised clustering—to warm‑start a variational graph autoencoder and then applies an adversarial confusion mechanism that prevents a discriminator from distinguishing environments while preserving reconstruction fidelity. Theoretical analysis shows that this environment confusion contracts environment‑discriminative directions, effectively reweighting features to reduce reliance on spurious correlations, and experiments on synthetic and DrugOOD datasets demonstrate state‑of‑the‑art OOD performance among label‑free methods.

By Tianjun Yao, Chen Xi, Xinyang Li, Lixian Zhong
arXiv Machine Learning
Oct 3

Higher-Order Positional Encodings for Graph Representation Learning

The paper introduces higher-order positional encodings that enrich graph representations by incorporating topological information from lifted incidence structures, without altering existing graph learning backbones. It theoretically shows that these encodings can mix graph Laplacian frequencies beyond what scalar spectral filters achieve, and demonstrates their effectiveness on Graph Transformers for datasets like ZINC and synthetic benchmarks. The approach bridges graph positional encodings and topological deep learning, enabling standard models to exploit higher-order interactions.

By Caleb Stam, Aagrim Hoysal, Sanjukta Krishnagopal