mlsanityData to 14 Oct 2026

Adapting Nonstationary Multi-output Gaussian Processes to Bayesian Optimization

arXiv 2609.32464 ↗First posted 26 Sep 2026cs.LG cs.AIcited by 0

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Abstract (arXiv)

Multi-objective Bayesian optimization (MOBO) commonly relies on independent Gaussian processes (GPs) with stationary kernels, limiting its ability to represent nonstationary structure and share information between objectives. However, expressive nonstationary GPs do not necessarily make reliable BO decisions. We study this mismatch for the multi-output low-rank nonstationary (MO-LRN) GP: strong training fit can coexist with large off-design errors and optimistic acquisition predictions. We introduce MOLRN-BO, which combines a regularized shared-spectral surrogate with objective-specific residuals, prequential mean correction and tempered covariance scaling, and Pareto-local qLogEHVI optimization with periodic global search. Experiments on 12 deterministic bi-objective benchmarks show that MOLRN-BO substantially improves upon the original MO-LRN and achieves the best average problem ranks for final normalized hypervolume and normalized inverted generational distance among nine evaluated algorithms. It also achieves the strongest adverse-tail performance while remaining competitive with the leading baselines in anytime optimization. Ablation studies further show that the shared spectral construction improves off-design prediction, the local--global decision policy improves optimization performance, and hierarchical calibration reduces systematic candidate bias. These results demonstrate that nonstationary multi-output surrogates can deliver strong and robust MOBO performance when their structure and use are explicitly adapted to the demands of sequential optimization.

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References · 13

  1. 2019Scalable Global Optimization via Local Bayesian Optimizationcited by 374
  2. 2020Differentiable Expected Hypervolume Improvement for Parallel Multi-Objective Bayesian Optimizationcited by 179
  3. 2021Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvementcited by 118
  4. 2018A Flexible Framework for Multi-Objective Bayesian Optimization using Random Scalarizationscited by 99
  5. 2015Predictive Entropy Search for Multi-objective Bayesian Optimizationcited by 88
  6. 2021Multi-Objective Bayesian Optimization over High-Dimensional Search Spacescited by 87
  7. 2020Max-value Entropy Search for Multi-Objective Bayesian Optimization with Constraintscited by 81
  8. 2022Joint Entropy Search for Multi-objective Bayesian Optimizationcited by 45
  9. 2017Spectral Mixture Kernels for Multi-Output Gaussian Processescited by 29
  10. 2022Bayesian Optimization with Conformal Prediction Setscited by 28
  11. 2020No-regret Algorithms for Multi-task Bayesian Optimizationcited by 18
  12. 2021Online Calibrated and Conformal Prediction Improves Bayesian Optimizationcited by 10
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  1. 2022Nonstationary multi-output Gaussian processes via harmonizable spectral mixturescited by 8

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