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General Graph Random Features
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Proposes general graph random features (g-GRFs), a random-walk estimator with a modulation function that gives unbiased subquadratic estimates of arbitrary power-series functions of a weighted adjacency matrix, and extends it with learnable neural modulation functions for kernel learning.
Problem
Exact graph node kernels (e.g. d-regularised Laplacian, diffusion, p-step random walk, inverse cosine) require O(N^3) computation, and existing graph random features only cover the 2-regularised Laplacian and (asymptotically unbiased) diffusion kernel.
Approach
Insert a modulation function f that reweights each random walker's load by walk length; unbiasedness holds when the convolution f1 * f2 equals the Taylor coefficients alpha of the target kernel, and symmetric f is the square root of the kernel generating function. The modulation function can also be a small neural network trained for kernel approximation or downstream regression.
Key results
- Unbiased g-GRF estimates of popular kernels converge with the number of walkers; relative Frobenius error around 0.005 on a 1000+ node graph in the scalability study, and g-GRFs are 7.8x faster than exact diffusion kernel computation at the largest size tested (N=12800).
- A learned neural modulation function (biased) reduces kernel approximation Frobenius error vs the unbiased f on all 8 graphs at m=16, e.g. eurosis 0.0551 -> 0.0484.
- On triangular mesh kernel regression, the learned kernel gives lower angular prediction error than fixed 1-regularised Laplacian, 2-regularised Laplacian and diffusion kernels on all six test graphs, including the 21384-node cycloidal graph.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Train a neural modulation function instead of using the unbiased modulation (ablation) | g-GRF kernel approximation · Small ER, Larger ER, Binary tree, d-regular, Karate, Dolphins, Football, and Eurosis | Frobenius norm error: 0.0488(9) -> 0.0437(9); 0.0503(4) -> 0.0448(4); 0.0453(4) -> 0.0410(4); 0.0490(2) -> 0.0434(2); 0.0492(6) -> 0.0439(6); | Helped |
| Use a learned neural modulation function instead of a fixed 1-reg Laplacian kernel | g-GRF kernel regression · Triangular mesh graphs | Angular prediction error: +0.40(2), +0.81(5), +0.52(2), +0.81(2), +2.13(5), +0.065(4) | Helped |
| Use a learned neural modulation function instead of a fixed 2-reg Laplacian kernel | g-GRF kernel regression · Triangular mesh graphs | Angular prediction error: +0.85(4), +1.78(8), +1.12(1), +1.60(4), +5.3(1), +0.13(1) | Helped |
| Use a learned neural modulation function instead of the diffusion kernel | g-GRF kernel regression · Triangular mesh graphs | Angular prediction error: +0.029(3), +0.059(3), +0.042(2), +0.063(2), +0.067(2), +0.011(1) | Helped |
| Increase the number of random walkers | g-GRF kernel estimation · Eight graph datasets and four graph kernels | Relative Frobenius norm error | Helped |
| Increase the number of random walkers | g-GRF graph ODE simulation · Three real-world graphs | Normalized final-state error | Helped |
| Use g-GRF approximation for exp(σ²W) in k-means | Kernelised graph node clustering · Karate, Dolphins, Polbooks, Football, Databases, Eurosis, Cora, and Citeseer | Clustering error | Helped |
Surprising findings
- The learned neural modulation function converges to a biased f that gives lower MSE than the unbiased modulation function, because downweighting long walks reduces variance.
- Trained on the small cylinder graph, the learned modulation function generalises to graphs up to 21k nodes with different topologies.
Limitations
- Learned modulation functions are biased, so unbiasedness is lost and the bias depends on the number of walkers m.
- Asymmetric modulation pairs double parameters and training cost; optimal choice of (f1,f2) left open.
- Generalisation bound depends on spectral radius of W and is noted as not tight for general graphs.
Experimental setup
Datasets: karate dolphins football eurosis polbooks databases cora citeseer cylinder/teapot/idler-riser/busted/torus/cycloidal triangular mesh graphs synthetic Erdos-Renyi graphs
Benchmarks: karate dolphins football eurosis polbooks databases cora citeseer triangular mesh normal prediction graphs
Metrics: relative Frobenius norm error clustering error E_c Frobenius norm error on kernel estimate normalised difference in angular prediction error wall-clock time relative ODE state error
Baselines: exact graph kernel computation (matrix exponential / inversion) original GRFs (2-regularised Laplacian) fixed modulation functions (unbiased f)
Builds on: graph random features (GRFs) random Fourier features
Closest papers by meaning
- Taming graph kernels with random features (ICML 2023 · similarity 0.95)
- Computationally-efficient Graph Modeling with Refined Graph Random Features (ICML 2026 · similarity 0.93)
- Manifold Random Features (NeurIPS 2026 · similarity 0.90)
- RetGK: Graph Kernels based on Return Probabilities of Random Walks (NeurIPS 2018 · similarity 0.90)
- How Graph Neural Networks Learn: Lessons from Training Dynamics (ICML 2024 · similarity 0.86)
- Revisiting Random Walks for Learning on Graphs (ICLR 2025 · similarity 0.86)
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