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Gaussian Processes on Cellular Complexes
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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
- On ocean current magnitude, the edge Matérn GP achieves NLL -703.42 vs -684.54 for the graph Matérn baseline, with comparable MSE (0.029 vs 0.030).
- On synthetic cellular data, the reaction-diffusion GP reduces vertex MSE from 0.165 to 0.076 relative to the CC-Matérn kernel.
- On electromagnetic fields, RD outperforms independent Matérn on 8/10 seeds for E and B fields, but gains are small and the MSE for scalar potential is slightly worse.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use the cellular-complex Matérn kernel on edges instead of a graph Matérn kernel on the line graph | Ocean current magnitude prediction · Ocean current magnitude | MSE: 0.030 ± 0.000 -> 0.029 ± 0.001 | No clear effect |
| Use the cellular-complex Matérn kernel on edges instead of a graph Matérn kernel on the line graph | Ocean current magnitude prediction · Ocean current magnitude | NLL: -684.54 ± 4.20 -> -703.42 ± 5.10 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic vertices | MSE: 0.165 ± 0.005 -> 0.076 ± 0.004 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic edges | MSE: 0.335 ± 0.014 -> 0.200 ± 0.010 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic triangles | MSE: 0.272 ± 0.005 -> 0.166 ± 0.005 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic vertices | NLL: 28.81 ± 1.75 -> -9.31 ± 1.61 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic edges | NLL: 136.77 ± 4.32 -> 71.07 ± 6.29 | Helped |
| Mix information across vertices, edges, and triangles with the reaction-diffusion kernel | CC-GP · Synthetic triangles | NLL: 82.84 ± 1.56 -> 39.78 ± 2.47 | Helped |
| Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPs | Electromagnetic field prediction · Electromagnetic scalar potential (V) | MSE: 0.102 ± 0.008 -> 0.11 ± 0.011 | Hurt |
| Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPs | Electromagnetic field prediction · Electromagnetic electric field (E) | MSE: 0.130 ± 0.008 -> 0.128 ± 0.009 | Helped |
| Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPs | Electromagnetic field prediction · Electromagnetic magnetic field (B) | MSE: 0.190 ± 0.026 -> 0.178 ± 0.023 | Helped |
| Jointly model field types with the reaction-diffusion kernel instead of independent Matérn GPs | Electromagnetic field prediction · Electromagnetic scalar potential (V) | NLL: 45.75 ± 7.20 -> 45.41 ± 7.35 | Helped |
Surprising findings
- On the electromagnetic experiment the RD kernel does not improve scalar potential MSE, and gains are much smaller than in the imposed-correlation experiment.
Limitations
- Eigendecomposition cost grows quickly with network size.
- Reaction-diffusion kernel controlled by only three hyperparameters (r, c, d), possibly too restrictive.
- Experiments are on simple 2D domains; no boundary conditions or complex manifolds explored.
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
Closest papers by meaning
- Graph and Simplicial Complex Prediction Gaussian Process via Hodgelet Representations (NeurIPS 2026 · similarity 0.85)
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- Higher-Order Graph Convolutional Network with Flower-Petals Laplacians on Simplicial Complexes (AAAI 2024 · similarity 0.84)
- From Latent Graph to Latent Topology Inference: Differentiable Cell Complex Module (ICLR 2024 · similarity 0.84)
- Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations (NeurIPS 2025 · similarity 0.84)
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