Boundary Variance Inflation Causes Acquisition Bias in Gaussian Processes
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Abstract (arXiv)
Gaussian processes with stationary kernels on bounded domains exhibit inflated posterior variance near the boundary. Despite being a long-recognized artifact in geostatistics and a source of over-exploration in Bayesian optimization, the causes and effects of boundary-induced acquisition bias are underexplored. We trace the root cause to a simple geometric mechanism: the truncation of the kernel correlation neighborhood at the domain boundary creates an observation-independent distortion that worsens with dimensionality. We show how this distortion manifests across three acquisition classes: variance maximization concentrates selections at the corners, whereas negative integrated posterior variance and expected predictive information gain move selections inward to axis-aligned interior shells. These patterns arise without reference to any objective function, meaning that acquisition behavior can be dominated by kernel geometry rather than the desired task-specific uncertainty. To quantify this, we introduce a function-free selection-profile diagnostic for arbitrary acquisitions, kernels, and bounded-domain geometries.
Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 5 of its 20 references that are in the map. First posted on arXiv 25 May 2026.
Builds on
5 of 20 references.
References · 5
- 2024Vanilla Bayesian Optimization Performs Great in High Dimensionscited by 92
- 2014Input Warping for Bayesian Optimization of Non-stationary Functionscited by 67
- 2023Prediction-Oriented Bayesian Active Learningcited by 62
- 2017Correcting boundary over-exploration deficiencies in Bayesian optimization with virtual derivative sign observationscited by 13
- 2019Know Your Boundaries: Constraining Gaussian Processes by Variational Harmonic Featurescited by 10
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Citing papers per year: 2026: 1.
1 paper.