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Gaussian Processes on Cellular Complexes

ICML 2024 · Graph learning › Graph algorithms and clustering · approach: Graph embedding and spectral sparsification · 2 citations (OpenAlex)

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Defines Gaussian processes on cellular complexes via random cochains, proposing a cellular Matérn kernel and a reaction-diffusion kernel that mixes information across cell types, evaluated on synthetic and ocean-current/electromagnetic field data.

Problem

Graph GPs model only dyadic (vertex-pair) relations and cannot represent polyadic interactions, oriented signals on edges, or jointly modelled signals across vertices, edges and higher-order cells with uncertainty.

Approach

Extends GPs from graphs to cellular complexes by defining GPs as direct sums of Gaussian random cochains, deriving a Matérn kernel from the Hodge Laplacian and a reaction-diffusion kernel from the Dirac operator that mixes cochains of different orders.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use the cellular-complex Matérn kernel on edges instead of a graph Matérn kernel on the line graphOcean current magnitude prediction · Ocean current magnitudeMSE: 0.030 ± 0.000 -> 0.029 ± 0.001No clear effect
Use the cellular-complex Matérn kernel on edges instead of a graph Matérn kernel on the line graphOcean current magnitude prediction · Ocean current magnitudeNLL: -684.54 ± 4.20 -> -703.42 ± 5.10Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic verticesMSE: 0.165 ± 0.005 -> 0.076 ± 0.004Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic edgesMSE: 0.335 ± 0.014 -> 0.200 ± 0.010Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic trianglesMSE: 0.272 ± 0.005 -> 0.166 ± 0.005Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic verticesNLL: 28.81 ± 1.75 -> -9.31 ± 1.61Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic edgesNLL: 136.77 ± 4.32 -> 71.07 ± 6.29Helped
Mix information across vertices, edges, and triangles with the reaction-diffusion kernelCC-GP · Synthetic trianglesNLL: 82.84 ± 1.56 -> 39.78 ± 2.47Helped
Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPsElectromagnetic field prediction · Electromagnetic scalar potential (V)MSE: 0.102 ± 0.008 -> 0.11 ± 0.011Hurt
Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPsElectromagnetic field prediction · Electromagnetic electric field (E)MSE: 0.130 ± 0.008 -> 0.128 ± 0.009Helped
Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPsElectromagnetic field prediction · Electromagnetic magnetic field (B)MSE: 0.190 ± 0.026 -> 0.178 ± 0.023Helped
Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPsElectromagnetic field prediction · Electromagnetic scalar potential (V)NLL: 45.75 ± 7.20 -> 45.41 ± 7.35Helped

Surprising findings

Limitations

Experimental setup

Datasets: geostrophic current data (ocean current database) synthetic simplicial mesh signals PyCharge simulated electromagnetic fields

Benchmarks: geostrophic ocean current (Southern Africa) synthetic 2D simplicial mesh signals synthetic electromagnetic fields (V, E, B)

Metrics: MSE NLL

Baselines: Graph Matérn GP on line graph Independent Matérn GPs on cellular complex

Builds on: graph Matérn GP Hodge Laplacian Dirac operator Gaussian Markov random fields

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