Papers › Batched Energy-Entropy acquisition for Bayesian Optimization

Batched Energy-Entropy acquisition for Bayesian Optimization

11 Oct 2024arXiv:2410.08804archive 2025-07-28

Felix Teufel, Carsten Stahlhut, Jesper Ferkinghoff-Borg

Bayesian optimization (BO) is an attractive machine learning framework for performing sample-efficient global optimization of black-box functions. The optimization process is guided by an acquisition function that selects points to acquire in each round of BO. In batched BO, when multiple points are acquired in parallel, commonly used acquisition functions are often high-dimensional and intractable, leading to the use of sampling-based alternatives. We propose a statistical physics inspired acquisition function for BO with Gaussian processes that can natively handle batches. Batched Energy-Entropy acquisition for BO (BEEBO) enables tight control of the explore-exploit trade-off of the optimization process and generalizes to heteroskedastic black-box problems. We demonstrate the applicability of BEEBO on a range of problems, showing competitive performance to existing methods.

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GPPosteriorPredictor novonordisk-research/BEE-BO/beebo/acquisition.py official repository ran fingerprinted BSD-3-Clause (permissive) · 452b16a2818dd34b · report
softmax_expectation novonordisk-research/BEE-BO/beebo/acquisition.py official repository ran · our draft was wrong BSD-3-Clause (permissive) · 8fcb35e5c1edb642 · report
softmax_expectation_a_is_mean novonordisk-research/BEE-BO/beebo/acquisition.py official repository ran BSD-3-Clause (permissive) · 4f8f5b535cd596aa · report
stable_softmax novonordisk-research/bee-bo/beebo/acquisition.py official repository ran · our draft was wrong BSD-3-Clause (permissive) · 7b003e18bd5feea4 · report
AugmentedPosteriorMethod novonordisk-research/BEE-BO/beebo/acquisition.py official repository unverified BSD-3-Clause (permissive) · 54b442ae010ace08 · report
BatchedEnergyEntropyBO novonordisk-research/BEE-BO/beebo/acquisition.py official repository unverified BSD-3-Clause (permissive) · c53ab31132cce522 · report
EnergyFunction novonordisk-research/BEE-BO/beebo/acquisition.py official repository unverified BSD-3-Clause (permissive) · 6627c52e6aea2f77 · report
LogDetMethod novonordisk-research/BEE-BO/beebo/acquisition.py official repository unverified BSD-3-Clause (permissive) · cc72c1686bdb4038 · report

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Bayesian OptimizationGaussian Processesglobal-optimization

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