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Fast Matrix Square Roots with Applications to Gaussian Processes and Bayesian Optimization

NeurIPS 2020 · Probabilistic and scientific modeling › Uncertainty and Gaussian processes · approach: Sparse variational Gaussian processes

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Replace Cholesky with msMINRES-CIQSVGP training · 3DRoad, Precipitation, and CoverTypetraining time: 3.2x faster; 5.6x faster; 2.0x fasterHelped
Increase inducing points from M=5,000 to M=10,000CIQ SVGP · 3DRoadtest NLL: reduces test-set NLL by 0.1 natsHelped
Increase inducing points from M=5,000 to M=10,000CIQ SVGP · Precipitationtest NLL: reduces test-set NLL by 0.1 natsHelped
Use msMINRES-CIQ rather than CholeskySVGP · 3DRoad, Precipitation, and CoverTypetest NLLNo clear effect
Increase candidate set size from T=1,000 to T=50,000CIQ Thompson sampling · Hartmann and Lunar LanderregretHelped
Use CIQ-50k rather than RFF-50kThompson sampling · Hartmann and Lunar LanderregretHelped
Add a rank-200 pivoted Cholesky preconditioner (ablation)msMINRES-CIQ · Hartmann posterior covariance, N=50,000final relative residual: final residual is cut by orders of magnitude; converges 2× fasterHelped
Add a rank-400 pivoted Cholesky preconditioner (ablation)msMINRES-CIQ · Hartmann posterior covariance, N=50,000final relative residual: final residual is cut by orders of magnitude; converges 4× fasterHelped
Use Q=8 quadrature points (ablation)msMINRES-CIQ · Random covariance matrices and Matérn 5/2 kernelsrelative error: < 10−4Helped
Increase the number of right-hand sides (ablation)msMINRES-CIQ compared with Cholesky · RBF and Matérn kernelsspeedup over CholeskyHurt
Use rank-50, rank-100, rank-200, or rank-400 preconditioning instead of no preconditioner (ablation)msMINRES-CIQ · Hartmann posterior covariance, N=50,000relative residualHelped

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