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Scalable Gaussian Processes with Latent Kronecker Structure
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Proposes Latent Kronecker GPs (LKGP), which keep exact GP inference on partially observed gridded product-kernel data by projecting a latent Kronecker kernel matrix, combined with iterative solvers and pathwise conditioning.
Problem
Exact GP inference on large datasets is costly, and Kronecker-structured speedups for product kernels break when grid observations are missing, forcing approximations or generic iterative methods.
Approach
Express the kernel matrix over observed grid points as a projection P (K_S ⊗ K_T) Pᵀ of a full latent Kronecker product, so MVMs exploit Kronecker structure via zero-padding and slicing without any approximation of the GP prior.
Key results
- On LCBench (every fifth dataset, 10 seeds), LKGP achieves the best train RMSE and test NLL on average and the lowest runtime (e.g., ~0.37 min vs ~6.5 min for SVGP on APSFailure), though SVGP/CaGP have better test RMSE.
- On Nordic climate data with up to 5M points, LKGP outperforms SVGP, VNNGP, and CaGP in RMSE and NLL at all missing ratios (10%-50%) while requiring the least time (e.g., 28.7 min vs 150 min for SVGP at 10% missing on temperature).
- Empirical break-even points for time and memory against iterative methods without latent structure closely match the derived asymptotic break-even points.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use LKGP with latent Kronecker structure instead of CaGP | Climate temperature prediction · 10% missing, test | RMSE: 0.18 ± 0.00 -> 0.08 ± 0.00 | Helped |
| Use LKGP with latent Kronecker structure instead of CaGP | Climate temperature prediction · 10% missing, test | NLL: -0.22 ± 0.00 -> -1.14 ± 0.01 | Helped |
| Use LKGP with latent Kronecker structure instead of SVGP | Climate temperature prediction · 10% missing | time (min): 150 ± 0.08 -> 28.7 ± 0.33 | Helped |
| Use LKGP with latent Kronecker structure instead of VNNGP | Climate precipitation prediction · 10% missing, test | RMSE: 0.46 ± 0.00 -> 0.24 ± 0.00 | Helped |
| Use LKGP with latent Kronecker structure instead of CaGP | Climate precipitation prediction · 10% missing, test | NLL: 0.94 ± 0.00 -> -0.02 ± 0.00 | Helped |
| Use LKGP with latent Kronecker structure instead of SVGP | Climate precipitation prediction · 10% missing | time (min): 150 ± 0.02 -> 15.6 ± 0.01 | Helped |
Surprising findings
- LKGP has the best train metrics but worse test RMSE than SVGP and CaGP on LCBench, which the authors attribute to overfitting caused by non-uniform missingness at the end of learning curves.
Limitations
- Assumes a product kernel, so points are correlated only if close in both S and T.
- Requires data on a partial grid; non-grid data needs artificial grid generation such as interpolation.
- Less efficient than generic iterative methods when the missing ratio is high (beyond the break-even point).
Experimental setup
Datasets: SARCOS LCBench Nordic Gridded Climate Dataset
Benchmarks: SARCOS LCBench Nordic Gridded Climate Dataset
Metrics: RMSE NLL runtime memory usage
Baselines: SVGP VNNGP CaGP iterative methods without latent Kronecker structure
Builds on: Kronecker GP methods pathwise conditioning stochastic variational GP computation-aware GP GPyTorch
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