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On the Rademacher Complexity of Graph Neural Networks: Unifying Expressivity and Geometry
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Derives data-dependent empirical Rademacher complexity bounds for GNNs governed by the equivalence-class distribution induced by an expressivity-bounding graph invariant (e.g., 1-WL), extended to Lipschitz pseudo-metric geometry and Wasserstein stability; purely theoretical, with no experiments.
Problem
Generalization of GNNs is typically analyzed with VC dimension, which ignores training data and does not reflect how expressivity (WL-style colorings) and input geometry jointly affect generalization.
Approach
Bound empirical Rademacher complexity of GNN classes that are upper-bounded in expressivity by a graph invariant T by sums over the sqrt of class proportions, refine via covering numbers under Lipschitz pseudo-metrics, and show Lipschitz dependence of Rademacher complexity on Wasserstein distance between samples.
Key results
- Partition-based bound R_S(F) <= sum_j sqrt(mu_j/m), tight up to factor 2 for maximally expressive classes.
- Dudley-type bound improves the first term from 1/sqrt(m) to sqrt(p)/m, where p is the number of invariant classes.
- Rademacher complexity is alpha-Lipschitz in W1 between samples, with alpha=2 for discrete partitions and alpha=lambda for continuous pseudo-metrics.
Surprising findings
- Generalization bound term decreases when training data is concentrated in few dense equivalence classes, so heterogeneity can reduce complexity.
Limitations
- No empirical verification of the derived bounds.
- Restricted to binary classification; multi-class and regression not covered.
- Bounds do not assume a graph distribution; true Rademacher complexity under random graph models left open.
Experimental setup
Metrics: empirical Rademacher complexity generalization gap bound
Baselines: VC-dimension bounds for GNNs Rademacher bounds for MPGNNs
Builds on: Rademacher complexity bounds for MPGNNs 1-WL expressivity correspondence Tree Mover's Distance Dudley entropy integral
Closest papers by meaning
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- What do Graph Neural Networks learn? Insights from Tropical Geometry (NeurIPS 2024 · similarity 0.90)
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