Understanding Hidden Spatial Preferences in Bayesian Optimization
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Abstract (arXiv)
Bayesian optimization uses posterior uncertainty to decide where to explore, but this uncertainty is not spatially neutral. On bounded domains, Gaussian-process posterior variance is typically larger near faces, edges, and corners, giving variance-based acquisition functions a systematic boundary bias. This spatial preference is usually inherited from the surrogate rather than chosen as part of the exploration strategy. We separate these roles by keeping the predictive model fixed and modifying the spatial preference of the exploration term. We control the preference with spatial weight fields and amortize their construction with neural surrogates. Controlled experiments show that the Gaussian process' default boundary bias changes which parts of the domain are explored and which optima are reached. We compare three alternative exploration principles and find, across standard benchmark functions and stochastic robot-pushing tasks, that they can often lower regret, particularly early in the optimization. The spatial structure of posterior uncertainty is therefore not a neutral default: it shapes the exploration strategy and can materially affect optimization performance.
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References · 12
- 2017Max-value Entropy Search for Efficient Bayesian Optimizationcited by 206
- 2014Predictive Entropy Search for Efficient Global Optimization of Black-box Functionscited by 204
- 2023Unexpected Improvements to Expected Improvement for Bayesian Optimizationcited by 149
- 2024Vanilla Bayesian Optimization Performs Great in High Dimensionscited by 92
- 2022πBO: Augmenting Acquisition Functions with User Beliefs for Bayesian Optimizationcited by 70
- 2014Input Warping for Bayesian Optimization of Non-stationary Functionscited by 67
- 2018BOCK : Bayesian Optimization with Cylindrical Kernelscited by 65
- 2023Prediction-Oriented Bayesian Active Learningcited by 62
- 2017Correcting boundary over-exploration deficiencies in Bayesian optimization with virtual derivative sign observationscited by 13
- 2025We Still Don't Understand High-Dimensional Bayesian Optimizationcited by 12
- 2026Correcting Boundary Bias and Observation Independence in Bayesian Experimental Designcited by 1
- 2026Boundary Variance Inflation Causes Acquisition Bias in Gaussian Processescited by 1
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