Kernel methods through the roof: handling billions of points efficiently
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Abstract (arXiv)
Kernel methods provide an elegant and principled approach to nonparametric learning, but so far could hardly be used in large scale problems, since na"ive implementations scale poorly with data size. Recent advances have shown the benefits of a number of algorithmic ideas, for example combining optimization, numerical linear algebra and random projections. Here, we push these efforts further to develop and test a solver that takes full advantage of GPU hardware. Towards this end, we designed a preconditioned gradient solver for kernel methods exploiting both GPU acceleration and parallelization with multiple GPUs, implementing out-of-core variants of common linear algebra operations to guarantee optimal hardware utilization. Further, we optimize the numerical precision of different operations and maximize efficiency of matrix-vector multiplications. As a result we can experimentally show dramatic speedups on datasets with billions of points, while still guaranteeing state of the art performance. Additionally, we make our software available as an easy to use library.
Key facts. Cited by 89 papers in the map (data through 14 Oct 2026). First posted on arXiv 18 Jun 2020.
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Citing papers per year: 2021: 16; 2022: 20; 2023: 17; 2024: 14; 2025: 15; 2026: 7.
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- 2021Fit without fear: remarkable mathematical phenomena of deep learning through the prism of interpolationcited by 132
- 2022Learning Dynamical Systems via Koopman Operator Regression in Reproducing Kernel Hilbert Spacescited by 67
- 2022Unbalanced Optimal Transport, from Theory to Numericscited by 46
- 2021Conditional Distributional Treatment Effect with Kernel Conditional Mean Embeddings and U-Statistic Regressioncited by 40
- 2022Randomly pivoted Cholesky: Practical approximation of a kernel matrix with few entry evaluationscited by 32
- 2021A Witness Two-Sample Testcited by 23
- 2022Neural Tangent Kernel: A Surveycited by 23
- 2022Learning new physics efficiently with nonparametric methodscited by 21
- 2021Tighter Bounds on the Log Marginal Likelihood of Gaussian Process Regression Using Conjugate Gradientscited by 20
- 2022Distribution Regression with Sliced Wasserstein Kernelscited by 18
- 2021Connections and Equivalences between the Nystr"om Method and Sparse Variational Gaussian Processescited by 17
- 2021Simple, Fast, and Flexible Framework for Matrix Completion with Infinite Width Neural Networkscited by 17
38 more
- 2022Few-shot Backdoor Attacks via Neural Tangent Kernelscited by 15
- 2023Estimating Koopman operators with sketching to provably learn large scale dynamical systemscited by 15
- 2024Memory-Scalable and Simplified Functional Map Learningcited by 14
- 2023Toward Large Kernel Modelscited by 13
- 2024Kermut: Composite kernel regression for protein variant effectscited by 12
- 2022Efficient Hyperparameter Tuning for Large Scale Kernel Ridge Regressioncited by 11
- 2022Low-Precision Arithmetic for Fast Gaussian Processescited by 10
- 2023Robustifying Generalizable Implicit Shape Networks with a Tunable Non-Parametric Modelcited by 10
- 2023Kernel Regression with Infinite-Width Neural Networks on Millions of Examplescited by 9
- 2023Robust, randomized preconditioning for kernel ridge regressioncited by 9
- 2021Sampling from Arbitrary Functions via PSD Modelscited by 8
- 2022Stochastic Zeroth order Descent with Structured Directionscited by 8
- 2023Fast kernel methods for Data Quality Monitoring as a goodness-of-fit testcited by 8
- 2021Ada-BKB: Scalable Gaussian Process Optimization on Continuous Domains by Adaptive Discretizationcited by 7
- 2023Efficient kernel surrogates for neural network-based regressioncited by 7
- 2024Multiple testing for signal-agnostic searches of new physics with machine learningcited by 7
- 2021ParK: Sound and Efficient Kernel Ridge Regression by Feature Space Partitionscited by 6
- 2022Explaining Preferences with Shapley Valuescited by 6
- 2023The Galerkin method beats Graph-Based Approaches for Spectral Algorithmscited by 6
- 2023Quantized Fourier and Polynomial Features for more Expressive Tensor Network Modelscited by 6
- 2021Faster Kernel Interpolation for Gaussian Processescited by 5
- 2022Fast Kernel Methods for Generic Lipschitz Losses via p-Sparsified Sketchescited by 5
- 2023Kernelized Diffusion mapscited by 5
- 2023Sketch In, Sketch Out: Accelerating both Learning and Inference for Structured Prediction with Kernelscited by 5
- 2023Nonlinear SVD with Asymmetric Kernels: feature learning and asymmetric Nystr"om methodcited by 5
- 2024Embrace rejection: Kernel matrix approximation by accelerated randomly pivoted Choleskycited by 5
- 2022Memory Safe Computations with XLA Compilercited by 4
- 2023Transfer learning for atomistic simulations using GNNs and kernel mean embeddingscited by 4
- 2024Faster Linear Systems and Matrix Norm Approximation via Multi-level Sketched Preconditioningcited by 4
- 2024Practical multi-fidelity machine learning: fusion of deterministic and Bayesian modelscited by 4
- 2024A Theoretical Characterization of Optimal Data Augmentations in Self-Supervised Learningcited by 4
- 2025Computational Efficiency under Covariate Shift in Kernel Ridge Regressioncited by 4
- 2025Comparing Generative Models with the New Physics Learning Machinecited by 4
- 2025Learning to Validate Generative Models: a Goodness-of-Fit Approachcited by 4
- 2021Sublinear Time Approximation of Text Similarity Matricescited by 3
- 2022Active Labeling: Streaming Stochastic Gradientscited by 3
- 2022Learn Fast, Segment Well: Fast Object Segmentation Learning on the iCub Robotcited by 3
- 2024Learning in Feature Spaces via Coupled Covariances: Asymmetric Kernel SVD and Nystr"om methodcited by 3
50 most cited of 89 All 89 (JSON)
- 2026BLOKS: Scaling Kernel Solvers with Sketched Block Preconditioning9 Oct 2026
- 2026Multivariate conformal uncertainty propagation in multitask atomistic simulation: Successes and pitfalls25 Sep 2026
- 2026Fast Length-Squared Sampling for Positive-Semidefinite Matrices12 Aug 2026
- 2026Bridging the Gap Between Hyperdimensional Computing and Kernel Methods via the Nystr"om Method7 Aug 2026
- 2026Koopman operator theory: fundamentals, control, and applications2 Jul 2026
- 2026Scalable Pairwise Kernel Learning with Stochastic Vec Trick15 Jun 2026
- 2026Kernel-Based Safe Exploration in Deep Reinforcement Learning21 May 2026
- 2025Learning to Validate Generative Models: a Goodness-of-Fit Approach12 Nov 2025
- 2025Sparse, self-organizing ensembles of local kernels detect rare statistical anomalies5 Nov 2025
- 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing24 Oct 2025
- 2025Interpretable Self-Supervised Learning via Representer Landmarks and Nystr"om Approximation29 Sep 2025
- 2025Error Propagation in Dynamic Programming: From Stochastic Control to American Option Pricing24 Sep 2025
38 more
- 2025Fast kernel methods: Sobolev, physics-informed, and additive models2 Sep 2025
- 2025Comparing Generative Models with the New Physics Learning Machine4 Aug 2025
- 2025Fast Gaussian process inference by exact Mat'ern kernel decomposition3 Aug 2025
- 2025Novel Pivoted Cholesky Decompositions for Efficient Gaussian Process Inference28 Jul 2025
- 2025Joker: Joint Optimization Framework for Lightweight Kernel Machines23 May 2025
- 2025Computational Efficiency under Covariate Shift in Kernel Ridge Regression20 May 2025
- 2025Training NTK to Generalize with KARE16 May 2025
- 2025Learning cardiac activation and repolarization times with operator learning13 May 2025
- 2025Comparative analysis of Realistic EMF Exposure Estimation from Low Density Sensor Network by Finite & Infinite Neural Networks7 Apr 2025
- 2025Forecasting time series with constraints14 Feb 2025
- 2024Fast training of large kernel models with delayed projections25 Nov 2024
- 2024A Theoretical Characterization of Optimal Data Augmentations in Self-Supervised Learning4 Nov 2024
- 2024Embrace rejection: Kernel matrix approximation by accelerated randomly pivoted Cholesky4 Oct 2024
- 2024Multiple testing for signal-agnostic searches of new physics with machine learning22 Aug 2024
- 2024Learning to Embed Distributions via Maximum Kernel Entropy1 Aug 2024
- 2024Practical multi-fidelity machine learning: fusion of deterministic and Bayesian models21 Jul 2024
- 2024Deep Sketched Output Kernel Regression for Structured Prediction13 Jun 2024
- 2024Learning in Feature Spaces via Coupled Covariances: Asymmetric Kernel SVD and Nystr"om method13 Jun 2024
- 2024Faster Linear Systems and Matrix Norm Approximation via Multi-level Sketched Preconditioning9 May 2024
- 2024Fast Evaluation of Additive Kernels: Feature Arrangement, Fourier Methods, and Kernel Derivatives26 Apr 2024
- 2024Learning epidemic trajectories through Kernel Operator Learning: from modelling to optimal control17 Apr 2024
- 2024Kermut: Composite kernel regression for protein variant effects9 Apr 2024
- 2024Memory-Scalable and Simplified Functional Map Learning30 Mar 2024
- 2024Two-Stage Surrogate Modeling for Data-Driven Design Optimization with Application to Composite Microstructure Generation4 Jan 2024
- 2023On the Nystrom Approximation for Preconditioning in Kernel Machines6 Dec 2023
- 2023Robustifying Generalizable Implicit Shape Networks with a Tunable Non-Parametric Model21 Nov 2023
- 2023Efficient kernel surrogates for neural network-based regression28 Oct 2023
- 2023Optimal Transport for Kernel Gaussian Mixture Models28 Oct 2023
- 2023Quantized Fourier and Polynomial Features for more Expressive Tensor Network Models11 Sep 2023
- 2023Nonlinear SVD with Asymmetric Kernels: feature learning and asymmetric Nystr"om method12 Jun 2023
- 2023Estimating Koopman operators with sketching to provably learn large scale dynamical systems7 Jun 2023
- 2023Transfer learning for atomistic simulations using GNNs and kernel mean embeddings2 Jun 2023
- 2023The Galerkin method beats Graph-Based Approaches for Spectral Algorithms1 Jun 2023
- 2023Lp- and Risk Consistency of Localized SVMs16 May 2023
- 2023Robust, randomized preconditioning for kernel ridge regression24 Apr 2023
- 2023Snacks: a fast large-scale kernel SVM solver17 Apr 2023
- 2023Kernel Regression with Infinite-Width Neural Networks on Millions of Examples9 Mar 2023
- 2023Fast kernel methods for Data Quality Monitoring as a goodness-of-fit test9 Mar 2023
50 newest of 89 All 89 (JSON)
- 2026Kernel-Based Safe Exploration in Deep Reinforcement Learning21 May 2026
- 2021Fit without fear: remarkable mathematical phenomena of deep learning through the prism of interpolationcited by 132
- 2022Learning Dynamical Systems via Koopman Operator Regression in Reproducing Kernel Hilbert Spacescited by 67
- 2022Unbalanced Optimal Transport, from Theory to Numericscited by 46
- 2021Conditional Distributional Treatment Effect with Kernel Conditional Mean Embeddings and U-Statistic Regressioncited by 40
- 2022Randomly pivoted Cholesky: Practical approximation of a kernel matrix with few entry evaluationscited by 32
- 2021A Witness Two-Sample Testcited by 23
- 2022Neural Tangent Kernel: A Surveycited by 23
- 2022Learning new physics efficiently with nonparametric methodscited by 21
- 2021Tighter Bounds on the Log Marginal Likelihood of Gaussian Process Regression Using Conjugate Gradientscited by 20
- 2022Distribution Regression with Sliced Wasserstein Kernelscited by 18
- 2021Connections and Equivalences between the Nystr"om Method and Sparse Variational Gaussian Processescited by 17
- 2021Simple, Fast, and Flexible Framework for Matrix Completion with Infinite Width Neural Networkscited by 17
12 most cited of 88 All 88 (JSON)
- 2026BLOKS: Scaling Kernel Solvers with Sketched Block Preconditioning9 Oct 2026
- 2026Multivariate conformal uncertainty propagation in multitask atomistic simulation: Successes and pitfalls25 Sep 2026
- 2026Fast Length-Squared Sampling for Positive-Semidefinite Matrices12 Aug 2026
- 2026Bridging the Gap Between Hyperdimensional Computing and Kernel Methods via the Nystr"om Method7 Aug 2026
- 2026Koopman operator theory: fundamentals, control, and applications2 Jul 2026
- 2026Scalable Pairwise Kernel Learning with Stochastic Vec Trick15 Jun 2026
- 2025Learning to Validate Generative Models: a Goodness-of-Fit Approach12 Nov 2025
- 2025Sparse, self-organizing ensembles of local kernels detect rare statistical anomalies5 Nov 2025
- 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing24 Oct 2025
- 2025Interpretable Self-Supervised Learning via Representer Landmarks and Nystr"om Approximation29 Sep 2025
- 2025Error Propagation in Dynamic Programming: From Stochastic Control to American Option Pricing24 Sep 2025
- 2025Fast kernel methods: Sobolev, physics-informed, and additive models2 Sep 2025
12 newest of 88 All 88 (JSON)