Graph Hierarchical Recurrence for Long-Range Generalization
About
Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases. Despite their effectiveness, a large body of work has shown that these models still face fundamental limitations in tasks that require capturing correlations between distant regions of a graph. To address this issue, we introduce Graph Hierarchical Recurrence (GHR), a novel framework that operates jointly on the input graph and on a hierarchical abstraction obtained through pooling. We also show that the limitations of existing models are even more pronounced in out-of-range generalization, where test instances involve interactions over distances longer than those observed during training. By contrast, despite its simple design, GHR provides three key advantages: strong performance on long-range dependencies, improved out-of-range generalization, and high parameter efficiency. To corroborate these claims, we show that across a broad set of long-range benchmarks, GHR consistently outperforms existing graph models while using as little as 1% of the parameters of current state-of-the-art models. These results suggest a complementary direction to the current trend of scaling architectures to obtain graph foundation models, indicating that increased model capacity alone may not be sufficient for generalization.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Diameter prediction | ECHO-Synth | MAE0.746 | 23 | |
| Single-Source Shortest Path Prediction | ECHO-Synth | MAE0.035 | 23 | |
| Node Eccentricity Prediction | ECHO-Synth | MAE3.456 | 23 | |
| Long-Range Interaction Modeling | LRIM-16 hard | logMSE-4.195 | 21 | |
| Long-Range Interaction Modeling | LRIM hard 32 | LogMSE-3.644 | 15 | |
| Molecular energy prediction | ECHO-Chem | MAE6.04 | 11 | |
| Atomic Charge Prediction | ECHO-Chem | MAE6.819 | 11 | |
| Structural Prediction | LRGB peptides-struct (test) | MAE0.2821 | 9 | |
| Lattice regression | LRIM 64-hard | LogMSE-1.76 | 8 | |
| Lattice regression | LRIM 128-hard | LogMSE-1.44 | 8 |