Correcting Boundary Bias and Observation Independence in Bayesian Experimental Design
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Abstract (arXiv)
In many experimental settings, active learning can improve sample efficiency by sequentially selecting where to measure, which is particularly valuable when experiments are expensive. Gaussian processes with variance-based acquisition criteria are widely used for this purpose, but have two limitations. First, they are observation-independent: their posterior variance depends only on where samples are acquired, not on what is measured, impairing their sensitivity to the structure of the acquired data. Second, they inflate the variance near boundaries, leading to excessive sampling at the edges of the space compared to the interior. These limitations undermine the gains in sampling efficiency expected from sequential acquisition. We address both limitations. We derive a reconstruction-driven design density and use the posterior mean to build a training-free warp that places more measurements where the target function varies rapidly. A geometric equalizer separately corrects boundary bias. Across sixteen synthetic and two real-data benchmarks, the geometric equalizer consistently improves function reconstruction by correcting boundary bias, while the reconstruction warp provides further gains by concentrating measurements where the posterior mean varies rapidly.
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References · 8
- 2023Modern Bayesian Experimental Designcited by 121
- 2024Vanilla Bayesian Optimization Performs Great in High Dimensionscited by 87
- 2014Manifold Gaussian Processes for Regressioncited by 79
- 2014Input Warping for Bayesian Optimization of Non-stationary Functionscited by 66
- 2023Prediction-Oriented Bayesian Active Learningcited by 60
- 2020Active Learning for Deep Gaussian Process Surrogatescited by 38
- 2015Non-Stationary Gaussian Process Regression with Hamiltonian Monte Carlocited by 29
- 2024Active Learning for Derivative-Based Global Sensitivity Analysis with Gaussian Processescited by 5
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