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Bayesian Optimization using Deep Gaussian Processes

arXiv 1905.03350 ↗First posted 7 May 2019stat.ML cs.CE cs.LGcited by 22

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Abstract (arXiv)

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian Processes, this method may not be adapted for non-stationary functions involved in the optimization problem. To overcome this issue, a new Bayesian Optimization approach is proposed. It is based on Deep Gaussian Processes as surrogate models instead of classic Gaussian Processes. This modeling technique increases the power of representation to capture the non-stationarity by simply considering a functional composition of stationary Gaussian Processes, providing a multiple layer structure. This paper proposes a new algorithm for Global Optimization by coupling Deep Gaussian Processes and Bayesian Optimization. The specificities of this optimization method are discussed and highlighted with academic test cases. The performance of the proposed algorithm is assessed on analytical test cases and an aerospace design optimization problem and compared to the state-of-the-art stationary and non-stationary Bayesian Optimization approaches.

Key facts. Cited by 22 papers in the map (data through 7 Oct 2026). First posted on arXiv 7 May 2019.

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Citing papers per year: 2021: 4; 2022: 5; 2023: 4; 2024: 6; 2025: 2; 2026: 1.

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  1. 2022Recent Advances in Bayesian Optimizationcited by 74
  2. 2023SMT 2.0: A Surrogate Modeling Toolbox with a focus on Hierarchical and Mixed Variables Gaussian Processescited by 27
  3. 2024Diffusion Model for Data-Driven Black-Box Optimizationcited by 24
  4. 2021Conditioning Sparse Variational Gaussian Processes for Online Decision-makingcited by 23
  5. 2024A survey and benchmark of high-dimensional Bayesian optimization of discrete sequencescited by 22
  6. 2025Adaptive Kernel Design for Bayesian Optimization Is a Piece of CAKE with LLMscited by 15
  7. 2023Multi-fidelity Bayesian Optimization: A Reviewcited by 12
  8. 2021Deep Gaussian Process Emulation using Stochastic Imputationcited by 11
  9. 2021Neural Process for Black-Box Model Optimization Under Bayesian Frameworkcited by 10
  10. 2022Monotonicity and Double Descent in Uncertainty Estimation with Gaussian Processescited by 10
  11. 2021A Sparse Expansion For Deep Gaussian Processescited by 5
  12. 2022Heuristic-free Optimization of Force-Controlled Robot Search Strategies in Stochastic Environmentscited by 4
10 more
  1. 2023Pseudo-Bayesian Optimizationcited by 4
  2. 2023Accelerating material discovery with a threshold-driven hybrid acquisition policy-based Bayesian optimizationcited by 3
  3. 2022Relaxed Gaussian process interpolation: a goal-oriented approach to Bayesian optimizationcited by 2
  4. 2022Gaussian Process regression over discrete probability measures: on the non-stationarity relation between Euclidean and Wasserstein Squared Exponential Kernelscited by 2
  5. 2025Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization for Complex Materials Design Campaignscited by 2
  6. 2024Polynomial Chaos Expanded Gaussian Processcited by 1
  7. 2024Global Optimisation of Black-Box Functions with Generative Models in the Wasserstein Spacecited by 1
  8. 2024Gradient-enhanced deep Gaussian processes for multifidelity modellingcited by 0
  9. 2024Gearing Gaussian process modeling and sequential design towards stochastic simulatorscited by 0
  10. 2026tidyHEBO: Robust General-Purpose Bayesian Optimization with Model-Consistent Warping and Pareto Searchcited by 0