When Gaussian Process Meets Big Data: A Review of Scalable GPs
Not on the map. Why?
Abstract (arXiv)
The vast quantity of information brought by big data as well as the evolving computer hardware encourages success stories in the machine learning community. In the meanwhile, it poses challenges for the Gaussian process (GP) regression, a well-known non-parametric and interpretable Bayesian model, which suffers from cubic complexity to data size. To improve the scalability while retaining desirable prediction quality, a variety of scalable GPs have been presented. But they have not yet been comprehensively reviewed and analyzed in order to be well understood by both academia and industry. The review of scalable GPs in the GP community is timely and important due to the explosion of data size. To this end, this paper is devoted to the review on state-of-the-art scalable GPs involving two main categories: global approximations which distillate the entire data and local approximations which divide the data for subspace learning. Particularly, for global approximations, we mainly focus on sparse approximations comprising prior approximations which modify the prior but perform exact inference, posterior approximations which retain exact prior but perform approximate inference, and structured sparse approximations which exploit specific structures in kernel matrix; for local approximations, we highlight the mixture/product of experts that conducts model averaging from multiple local experts to boost predictions. To present a complete review, recent advances for improving the scalability and capability of scalable GPs are reviewed. Finally, the extensions and open issues regarding the implementation of scalable GPs in various scenarios are reviewed and discussed to inspire novel ideas for future research avenues.
Key facts. Cited by 205 papers in the map (data through 7 Oct 2026). First posted on arXiv 3 Jul 2018.
Builds on
No reference list yet.
Built on by
Citing papers per year: 2020: 2; 2021: 41; 2022: 35; 2023: 40; 2024: 28; 2025: 35; 2026: 24.
205 papers.
Sort:
By area:
- 2022Recent Advances in Bayesian Optimizationcited by 74
- 2020Active Preference-Based Gaussian Process Regression for Reward Learningcited by 70
- 2024Variational Bayesian Last Layerscited by 67
- 2021Causal Inference for Time series Analysis: Problems, Methods and Evaluationcited by 42
- 2024A review on data-driven constitutive laws for solidscited by 35
- 2023Sparse Cholesky Factorization for Solving Nonlinear PDEs via Gaussian Processescited by 31
- 2023Uncertainty Quantification in Machine Learning for Engineering Design and Health Prognostics: A Tutorialcited by 27
- 2021GP-Tree: A Gaussian Process Classifier for Few-Shot Incremental Learningcited by 26
- 2021Differentiable sampling of molecular geometries with uncertainty-based adversarial attackscited by 25
- 2021Information Directed Reward Learning for Reinforcement Learningcited by 24
- 2022MeltpoolNet: Melt pool Characteristic Prediction in Metal Additive Manufacturing Using Machine Learningcited by 19
- 2022Improved Convergence Rates for Sparse Approximation Methods in Kernel-Based Learningcited by 18
38 more
- 2023Data-Driven Design for Metamaterials and Multiscale Systems: A Reviewcited by 17
- 2023Traffic Prediction using Artificial Intelligence: Review of Recent Advances and Emerging Opportunitiescited by 16
- 2021Deep Learning for Bayesian Optimization of Scientific Problems with High-Dimensional Structurecited by 15
- 2023Interactive Segmentation as Gaussian Process Classificationcited by 14
- 2025Stochastic Process Learning via Operator Flow Matchingcited by 14
- 2021Adaptive machine learning for protein engineeringcited by 13
- 2021Deep Gaussian Processes: A Surveycited by 13
- 2021Trust Your Robots! Predictive Uncertainty Estimation of Neural Networks with Sparse Gaussian Processescited by 12
- 2022On the Robustness of Bayesian Neural Networks to Adversarial Attackscited by 12
- 2023Distributionally Robust Statistical Verification with Imprecise Neural Networkscited by 12
- 2023Automatic nonlinear MPC approximation with closed-loop guaranteescited by 12
- 2025Machine learning for modelling unstructured grid data in computational physics: a reviewcited by 12
- 2021Scalable Gaussian Processes for Data-Driven Design using Big Data with Categorical Factorscited by 11
- 2021Non-separable Spatio-temporal Graph Kernels via SPDEscited by 11
- 2023Improved uncertainty quantification for neural networks with Bayesian last layercited by 11
- 2025Uncertainty Quantification for Machine Learning in Healthcare: A Surveycited by 11
- 2021Neural Process for Black-Box Model Optimization Under Bayesian Frameworkcited by 10
- 2022Uncertainty Estimation for Multi-view Data: The Power of Seeing the Whole Picturecited by 10
- 2021SKIing on Simplices: Kernel Interpolation on the Permutohedral Lattice for Scalable Gaussian Processescited by 9
- 2022Exact Gaussian Processes for Massive Datasets via Non-Stationary Sparsity-Discovering Kernelscited by 9
- 2024Universal Functional Regression with Neural Operator Flowscited by 9
- 2021MuyGPs: Scalable Gaussian Process Hyperparameter Estimation Using Local Cross-Validationcited by 8
- 2021Leveraging Probabilistic Circuits for Nonparametric Multi-Output Regressioncited by 8
- 2022Scalable Gaussian-process regression and variable selection using Vecchia approximationscited by 8
- 2023Clarifying Trust of Materials Property Predictions using Neural Networks with Distribution-Specific Uncertainty Quantificationcited by 8
- 2023Probabilistic Attention based on Gaussian Processes for Deep Multiple Instance Learningcited by 8
- 2024Multitask methods for predicting molecular properties from heterogeneous datacited by 8
- 2024Computation-Aware Gaussian Processes: Model Selection And Linear-Time Inferencecited by 8
- 2024Scalable Bayesian Optimization via Focalized Sparse Gaussian Processescited by 8
- 2021Correlated Product of Experts for Sparse Gaussian Process Regressioncited by 7
- 2022Learning Multi-Task Gaussian Process Over Heterogeneous Input Domainscited by 7
- 2022D-CIPHER: Discovery of Closed-form Partial Differential Equationscited by 7
- 2023Bayesian Gaussian Process ODEs via Double Normalizing Flowscited by 7
- 2021Scalable Cross Validation Losses for Gaussian Process Modelscited by 6
- 2021BoGraph: Structured Bayesian Optimization From Logs for Expensive Systems with Many Parameterscited by 6
- 2022Asynchronous Decentralized Bayesian Optimization for Large Scale Hyperparameter Optimizationcited by 6
- 2022ET-AL: Entropy-Targeted Active Learning for Bias Mitigation in Materials Datacited by 6
- 2023Neural Operator Variational Inference based on Regularized Stein Discrepancy for Deep Gaussian Processescited by 6
50 most cited of 205 All 205 (JSON)
- 2026Sparsity by Default: The Theory and Practice of ARD in Gaussian Process Regression for Variable Selection27 Sep 2026
- 2026Multivariate conformal uncertainty propagation in multitask atomistic simulation: Successes and pitfalls25 Sep 2026
- 2026Adaptive multi-resolution Gaussian processes: Scalable exact inference with naturally data-sparse covariance matrices24 Sep 2026
- 2026Residual Correlation as a Diagnostic for Joint-Uncertainty Gains from GP Coregionalisation24 Sep 2026
- 2026Bayesian Optimisation Using Product-of-Experts Gaussian Process Models with Uncertainty Calibration14 Sep 2026
- 2026Event-triggered Control and Online Learning for Networked Systems under Computational Delays30 Aug 2026
- 2026Information-Based Calibration of Uncertainty Quantification in Product-of-Experts Gaussian Process Models29 Aug 2026
- 2026Covariance-Boosted Gaussian Processes for Spatiotemporal Irregularities25 Jul 2026
- 2026Deep Sigma Point Processes for RCS Modeling in Spaceborne SAR Imagery23 Jul 2026
- 2026Koopman operator theory: fundamentals, control, and applications2 Jul 2026
- 2026Joint Model and Data Sparsification via the Marginal Likelihood28 May 2026
- 2026Bayesian Optimization in Linear Time30 Apr 2026
38 more
- 2026A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era17 Apr 2026
- 2026Joint Surrogate Learning of Objectives, Constraints, and Sensitivities for Efficient Multi-objective Optimization of Neural Dynamical Systems22 Mar 2026
- 2026Scalable Gaussian process modeling of parametrized spatio-temporal fields27 Feb 2026
- 2026Bayesian Quadrature18 Feb 2026
- 2026Distributed Quantum Gaussian Processes for Multi-Agent Systems16 Feb 2026
- 2026Scalable Random Wavelet Features: Efficient Non-Stationary Kernel Approximation with Convergence Guarantees1 Feb 2026
- 2026Bayesian Interpolating Neural Network (B-INN): a scalable and reliable Bayesian model for large-scale physical systems30 Jan 2026
- 2026Neural-Inspired Posterior Approximation (NIPA)30 Jan 2026
- 2026FIRE: Multi-fidelity Regression with Distribution-conditioned In-context Learning using Tabular Foundation Models29 Jan 2026
- 2026Uncertainty-Aware Data-Based Method for Fast and Reliable Shape Optimization29 Jan 2026
- 2026Artificial Intelligence in Materials Science and Engineering: Current Landscape, Key Challenges, and Future Trajectorie18 Jan 2026
- 2026Quality or Quantity? Error-Informed Selective Online Learning with Gaussian Processes in Multi-Agent Systems: Extended Version10 Jan 2026
- 2025When Bayesian Tensor Completion Meets Multioutput Gaussian Processes: Functional Universality and Rank Learning25 Dec 2025
- 2025Mind the Jumps: A Scalable Robust Local Gaussian Process for Multidimensional Response Surfaces with Discontinuities14 Dec 2025
- 2025Efficient Level-Crossing Probability Calculation for Gaussian Process Modeled Data13 Dec 2025
- 2025All Emulators are Wrong, Many are Useful, and Some are More Useful Than Others: A Reproducible Comparison of Computer Model Surrogates9 Dec 2025
- 2025Laplace Approximation For Tensor Train Kernel Machines In System Identification2 Dec 2025
- 2025Tackling Incomplete Data in Air Quality Prediction: A Bayesian Deep Learning Framework for Uncertainty Quantification4 Nov 2025
- 2025A Streaming Sparse Cholesky Method for Derivative-Informed Gaussian Process Surrogates Within Digital Twin Applications1 Nov 2025
- 2025Bayesian neural networks with interpretable priors from Mercer kernels27 Oct 2025
- 2025A visual big data system for the prediction of weather-related variables: Jordan-Spain case study24 Oct 2025
- 2025Physics-augmented Multi-task Gaussian Process for Modeling Spatiotemporal Dynamics15 Oct 2025
- 2025nuGPR: GPU-Accelerated Gaussian Process Regression with Iterative Algorithms and Low-Rank Approximations14 Oct 2025
- 2025Conformalized Gaussian processes for online uncertainty quantification over graphs7 Oct 2025
- 2025DPFNAS: Differential Privacy-Enhanced Federated Neural Architecture Search for 6G Edge Intelligence27 Sep 2025
- 2025Fast Linear Solvers via AI-Tuned Markov Chain Monte Carlo-based Matrix Inversion22 Sep 2025
- 2025Unbiased Stochastic Optimization for Gaussian Processes on Finite Dimensional RKHS28 Aug 2025
- 2025Fast Gaussian process inference by exact Mat'ern kernel decomposition3 Aug 2025
- 2025A Partitioned Sparse Variational Gaussian Process for Fast, Distributed Spatial Modeling22 Jul 2025
- 2025Byzantine-resilient federated online learning for Gaussian process regression18 Jul 2025
- 2025Fast Gaussian Processes under Monotonicity Constraints9 Jul 2025
- 2025Vecchia-Inducing-Points Full-Scale Approximations for Gaussian Processes7 Jul 2025
- 2025Sparse Gaussian Processes: Structured Approximations and Power-EP Revisited3 Jul 2025
- 2025Assessing Quantum Advantage for Gaussian Process Regression28 May 2025
- 2025Multi-Output Gaussian Processes for Graph-Structured Data22 May 2025
- 2025Safety and optimality in learning-based control at low computational cost12 May 2025
- 2025Uncertainty Quantification for Machine Learning in Healthcare: A Survey4 May 2025
- 2025Geometry-aware Active Learning of Spatiotemporal Dynamic Systems26 Apr 2025
50 newest of 205 All 205 (JSON)
- 2025Stochastic Process Learning via Operator Flow Matchingcited by 14
- 2025Stochastic Process Learning via Operator Flow Matching7 Jan 2025
- 2022Recent Advances in Bayesian Optimizationcited by 74
- 2024Variational Bayesian Last Layerscited by 67
- 2021Causal Inference for Time series Analysis: Problems, Methods and Evaluationcited by 42
- 2024A review on data-driven constitutive laws for solidscited by 35
- 2023Sparse Cholesky Factorization for Solving Nonlinear PDEs via Gaussian Processescited by 31
- 2023Uncertainty Quantification in Machine Learning for Engineering Design and Health Prognostics: A Tutorialcited by 27
- 2021GP-Tree: A Gaussian Process Classifier for Few-Shot Incremental Learningcited by 26
- 2021Differentiable sampling of molecular geometries with uncertainty-based adversarial attackscited by 25
- 2022MeltpoolNet: Melt pool Characteristic Prediction in Metal Additive Manufacturing Using Machine Learningcited by 19
- 2022Improved Convergence Rates for Sparse Approximation Methods in Kernel-Based Learningcited by 18
- 2023Data-Driven Design for Metamaterials and Multiscale Systems: A Reviewcited by 17
- 2023Traffic Prediction using Artificial Intelligence: Review of Recent Advances and Emerging Opportunitiescited by 16
12 most cited of 200 All 200 (JSON)
- 2026Sparsity by Default: The Theory and Practice of ARD in Gaussian Process Regression for Variable Selection27 Sep 2026
- 2026Multivariate conformal uncertainty propagation in multitask atomistic simulation: Successes and pitfalls25 Sep 2026
- 2026Adaptive multi-resolution Gaussian processes: Scalable exact inference with naturally data-sparse covariance matrices24 Sep 2026
- 2026Residual Correlation as a Diagnostic for Joint-Uncertainty Gains from GP Coregionalisation24 Sep 2026
- 2026Bayesian Optimisation Using Product-of-Experts Gaussian Process Models with Uncertainty Calibration14 Sep 2026
- 2026Event-triggered Control and Online Learning for Networked Systems under Computational Delays30 Aug 2026
- 2026Information-Based Calibration of Uncertainty Quantification in Product-of-Experts Gaussian Process Models29 Aug 2026
- 2026Covariance-Boosted Gaussian Processes for Spatiotemporal Irregularities25 Jul 2026
- 2026Deep Sigma Point Processes for RCS Modeling in Spaceborne SAR Imagery23 Jul 2026
- 2026Koopman operator theory: fundamentals, control, and applications2 Jul 2026
- 2026Joint Model and Data Sparsification via the Marginal Likelihood28 May 2026
- 2026Bayesian Optimization in Linear Time30 Apr 2026
12 newest of 200 All 200 (JSON)