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Higher-Order Graphon Neural Networks: Approximation and Cut Distance
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Extends k-WL and homomorphism densities to graphon-signals, defines Invariant Graphon Networks (IWNs) with bounded linear equivariant layers, proves k-WL expressivity and universal approximation in L_p distances, and shows higher-order graphon models are cut-distance discontinuous yet transferable.
Problem
Higher-order GNNs (IGNs/k-WL) lack a graphon-limit framework, so their expressivity, continuity, and size transferability are not systematically understood compared to MPNNs on graphons.
Approach
Introduce signal-weighted homomorphism densities for graphon-signals, and define IWNs by restricting IGN linear equivariant layers to bounded operators on L2 over [0,1]; this basis (no diagonal selection) suffices for k-WL expressivity and universality, and transferability holds despite cut-distance discontinuity.
Key results
- IWNs of order k are at least as expressive as k-WL on graphon-signals and are universal approximators in L_p distances on compact subsets.
- All nontrivial IWNs (pointwise nonlinearity) are discontinuous w.r.t. cut distance, yet transferability holds: E|N(G_n)-N(G_m)| -> 0 for functions in the closure of signal-weighted homomorphism density spans.
- Toy experiment: IWN errors on sampled graphs stabilize rather than vanish, while MPNN errors decrease with graph size; prediction interval widths contract for both.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| use an IWN instead of an MPNN | graphon-sampled graphs · graphons from the proof-of-concept experiment | absolute output error to graphon limit | Hurt |
| use an IWN instead of an MPNN | graphon-sampled graphs · graphons from the proof-of-concept experiment | prediction interval width | No clear effect |
Surprising findings
- Higher-order graphon networks are discontinuous w.r.t. cut distance, so sampled graphs do not converge to the graphon-limit output, although transferability still holds.
- The bounded-operator IWN basis (dimension at most bell(k+l)) keeps the full IGN expressivity in the limit.
Limitations
- Transferability proof gives convergence without a rate in general; quantitative rate only for a 2-layer real-analytic subclass.
- Experiments are only a small proof-of-concept on a few graphons.
- Compactness and universality hold only on compact subsets for L_p distances.
Experimental setup
Datasets: graphons from the paper's toy experiment
Metrics: absolute output error 90% prediction interval width
Baselines: IGN-small MPNN
Builds on: Invariant Graph Networks k-WL graphon homomorphism densities IGN-small
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