Preconditioning Kernel Matrices
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Abstract (arXiv)
The computational and storage complexity of kernel machines presents the primary barrier to their scaling to large, modern, datasets. A common way to tackle the scalability issue is to use the conjugate gradient algorithm, which relieves the constraints on both storage (the kernel matrix need not be stored) and computation (both stochastic gradients and parallelization can be used). Even so, conjugate gradient is not without its own issues: the conditioning of kernel matrices is often such that conjugate gradients will have poor convergence in practice. Preconditioning is a common approach to alleviating this issue. Here we propose preconditioned conjugate gradients for kernel machines, and develop a broad range of preconditioners particularly useful for kernel matrices. We describe a scalable approach to both solving kernel machines and learning their hyperparameters. We show this approach is exact in the limit of iterations and outperforms state-of-the-art approximations for a given computational budget.
Key facts. Cited by 32 papers in the map (data through 7 Oct 2026). First posted on arXiv 22 Feb 2016.
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Citing papers per year: 2021: 9; 2022: 6; 2023: 5; 2024: 5; 2025: 3; 2026: 4.
32 papers.
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- 2021Fast Sketching of Polynomial Kernels of Polynomial Degreecited by 33
- 2023Sampling from Gaussian Process Posteriors using Stochastic Gradient Descentcited by 27
- 2022Posterior and Computational Uncertainty in Gaussian Processescited by 23
- 2021Preconditioning for Scalable Gaussian Process Hyperparameter Optimizationcited by 22
- 2021Tighter Bounds on the Log Marginal Likelihood of Gaussian Process Regression Using Conjugate Gradientscited by 20
- 2021Bias-Free Scalable Gaussian Processes via Randomized Truncationscited by 15
- 2021Incremental Ensemble Gaussian Processescited by 15
- 2021When are Iterative Gaussian Processes Reliably Accurate?cited by 12
- 2023Large-Scale Gaussian Processes via Alternating Projectioncited by 11
- 2022Low-Precision Arithmetic for Fast Gaussian Processescited by 10
- 2023Robust, randomized preconditioning for kernel ridge regressioncited by 8
- 2021Hierarchical Inducing Point Gaussian Process for Inter-domain Observationscited by 6
20 more
- 2024Embrace rejection: Kernel matrix approximation by accelerated randomly pivoted Choleskycited by 5
- 2021Marginalising over Stationary Kernels with Bayesian Quadraturecited by 4
- 2022Log-Linear-Time Gaussian Processes Using Binary Tree Kernelscited by 4
- 2021Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Processcited by 3
- 2023A Preconditioned Interior Point Method for Support Vector Machines Using an ANOVA-Decomposition and NFFT-Based Matrix-Vector Productscited by 3
- 2025Turbocharging Gaussian Process Inference with Approximate Sketch-and-Projectcited by 3
- 2026Conditioning Gaussian Processes on Almost Anythingcited by 3
- 2022Adaptive Cholesky Gaussian Processescited by 2
- 2022Reconstructing Kernel-based Machine Learning Force Fields with Super-linear Convergencecited by 2
- 2023On the Nystrom Approximation for Preconditioning in Kernel Machinescited by 2
- 2024Gradients of Functions of Large Matricescited by 1
- 2024High-Dimensional Gaussian Process Regression with Soft Kernel Interpolationcited by 1
- 2025Flow-Induced Diagonal Gaussian Processescited by 1
- 2025nuGPR: GPU-Accelerated Gaussian Process Regression with Iterative Algorithms and Low-Rank Approximationscited by 1
- 2022Locally Smoothed Gaussian Process Regressioncited by 0
- 2024Kernel Multigrid: Accelerate Back-fitting via Sparse Gaussian Process Regressioncited by 0
- 2024Gaussian Processes Sampling with Sparse Grids under Additive Schwarz Preconditionercited by 0
- 2026The Geometry of the Pivot: A Note on Lazy Pivoted Cholesky and Farthest Point Samplingcited by 0
- 2026Transformers Can Learn Posterior Predictive Distributions In-Contextcited by 0
- 2026Extrapolating from Regularised Solutions for Solving Ill-Conditioned Linear Systems in Machine Learningcited by 0
- 2026Extrapolating from Regularised Solutions for Solving Ill-Conditioned Linear Systems in Machine Learning29 Jun 2026
- 2026Transformers Can Learn Posterior Predictive Distributions In-Context26 May 2026
- 2026Conditioning Gaussian Processes on Almost Anything20 May 2026
- 2026The Geometry of the Pivot: A Note on Lazy Pivoted Cholesky and Farthest Point Sampling7 Jan 2026
- 2025nuGPR: GPU-Accelerated Gaussian Process Regression with Iterative Algorithms and Low-Rank Approximations14 Oct 2025
- 2025Flow-Induced Diagonal Gaussian Processes21 Sep 2025
- 2025Turbocharging Gaussian Process Inference with Approximate Sketch-and-Project19 May 2025
- 2024High-Dimensional Gaussian Process Regression with Soft Kernel Interpolation28 Oct 2024
- 2024Embrace rejection: Kernel matrix approximation by accelerated randomly pivoted Cholesky4 Oct 2024
- 2024Gaussian Processes Sampling with Sparse Grids under Additive Schwarz Preconditioner1 Aug 2024
- 2024Gradients of Functions of Large Matrices27 May 2024
- 2024Kernel Multigrid: Accelerate Back-fitting via Sparse Gaussian Process Regression20 Mar 2024
20 more
- 2023On the Nystrom Approximation for Preconditioning in Kernel Machines6 Dec 2023
- 2023A Preconditioned Interior Point Method for Support Vector Machines Using an ANOVA-Decomposition and NFFT-Based Matrix-Vector Products1 Dec 2023
- 2023Large-Scale Gaussian Processes via Alternating Projection26 Oct 2023
- 2023Sampling from Gaussian Process Posteriors using Stochastic Gradient Descent20 Jun 2023
- 2023Robust, randomized preconditioning for kernel ridge regression24 Apr 2023
- 2022Reconstructing Kernel-based Machine Learning Force Fields with Super-linear Convergence24 Dec 2022
- 2022Locally Smoothed Gaussian Process Regression18 Oct 2022
- 2022Log-Linear-Time Gaussian Processes Using Binary Tree Kernels4 Oct 2022
- 2022Low-Precision Arithmetic for Fast Gaussian Processes14 Jul 2022
- 2022Posterior and Computational Uncertainty in Gaussian Processes30 May 2022
- 2022Adaptive Cholesky Gaussian Processes22 Feb 2022
- 2021When are Iterative Gaussian Processes Reliably Accurate?31 Dec 2021
- 2021Incremental Ensemble Gaussian Processes13 Oct 2021
- 2021Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process20 Sep 2021
- 2021Fast Sketching of Polynomial Kernels of Polynomial Degree21 Aug 2021
- 2021Preconditioning for Scalable Gaussian Process Hyperparameter Optimization1 Jul 2021
- 2021Marginalising over Stationary Kernels with Bayesian Quadrature14 Jun 2021
- 2021Hierarchical Inducing Point Gaussian Process for Inter-domain Observations28 Feb 2021
- 2021Tighter Bounds on the Log Marginal Likelihood of Gaussian Process Regression Using Conjugate Gradients16 Feb 2021
- 2021Bias-Free Scalable Gaussian Processes via Randomized Truncations12 Feb 2021
- 2021Fast Sketching of Polynomial Kernels of Polynomial Degreecited by 33
- 2023Sampling from Gaussian Process Posteriors using Stochastic Gradient Descentcited by 27
- 2022Posterior and Computational Uncertainty in Gaussian Processescited by 23
- 2021Preconditioning for Scalable Gaussian Process Hyperparameter Optimizationcited by 22
- 2021Tighter Bounds on the Log Marginal Likelihood of Gaussian Process Regression Using Conjugate Gradientscited by 20
- 2021Bias-Free Scalable Gaussian Processes via Randomized Truncationscited by 15
- 2021Incremental Ensemble Gaussian Processescited by 15
- 2021When are Iterative Gaussian Processes Reliably Accurate?cited by 12
- 2023Large-Scale Gaussian Processes via Alternating Projectioncited by 11
- 2022Low-Precision Arithmetic for Fast Gaussian Processescited by 10
- 2023Robust, randomized preconditioning for kernel ridge regressioncited by 8
- 2021Hierarchical Inducing Point Gaussian Process for Inter-domain Observationscited by 6
12 most cited of 32 All 32 (JSON)
- 2026Extrapolating from Regularised Solutions for Solving Ill-Conditioned Linear Systems in Machine Learning29 Jun 2026
- 2026Transformers Can Learn Posterior Predictive Distributions In-Context26 May 2026
- 2026Conditioning Gaussian Processes on Almost Anything20 May 2026
- 2026The Geometry of the Pivot: A Note on Lazy Pivoted Cholesky and Farthest Point Sampling7 Jan 2026
- 2025nuGPR: GPU-Accelerated Gaussian Process Regression with Iterative Algorithms and Low-Rank Approximations14 Oct 2025
- 2025Flow-Induced Diagonal Gaussian Processes21 Sep 2025
- 2025Turbocharging Gaussian Process Inference with Approximate Sketch-and-Project19 May 2025
- 2024High-Dimensional Gaussian Process Regression with Soft Kernel Interpolation28 Oct 2024
- 2024Embrace rejection: Kernel matrix approximation by accelerated randomly pivoted Cholesky4 Oct 2024
- 2024Gaussian Processes Sampling with Sparse Grids under Additive Schwarz Preconditioner1 Aug 2024
- 2024Gradients of Functions of Large Matrices27 May 2024
- 2024Kernel Multigrid: Accelerate Back-fitting via Sparse Gaussian Process Regression20 Mar 2024
12 newest of 32 All 32 (JSON)