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Scalable Global Optimization via Local Bayesian Optimization

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Bayesian optimization has recently emerged as a popular method for the sample-efficient optimization of expensive black-box functions. However, the application to high-dimensional problems with several thousand observations remains challenging, and on difficult problems Bayesian optimization is often not competitive with other paradigms. In this paper we take the view that this is due to the implicit homogeneity of the global probabilistic models and an overemphasized exploration that results from global acquisition. This motivates the design of a local probabilistic approach for global optimization of large-scale high-dimensional problems. We propose the $\texttt{TuRBO}$ algorithm that fits a collection of local models and performs a principled global allocation of samples across these models via an implicit bandit approach. A comprehensive evaluation demonstrates that $\texttt{TuRBO}$ outperforms state-of-the-art methods from machine learning and operations research on problems spanning reinforcement learning, robotics, and the natural sciences.

David Eriksson, Michael Pearce, Jacob R Gardner, Ryan Turner, Matthias Poloczek• 2019

Related benchmarks

TaskDatasetResultRank
Receptor Docking AffinityTDC DRD3 (leaderboard)
Affinity Score-12.6
48
CalibrationBrock-Hommes (test)
MSE5.22e-5
40
Parameter CalibrationBrock–Hommes problems (various parameter sets)
Success Rate10
40
Parameter EstimationBrock–Hommes problems (test)
Parameter Estimation Error (Mean)0.0032
40
Global OptimizationAckley d = 2
Simple Regret0.195
22
Global OptimizationSumSquares d=2
Simple Regret1.87e-4
22
Global OptimizationGPMean d=2
Simple Regret0.0879
22
High-dimensional optimizationMSLR
Convergence Value-8.9199
21
High-dimensional optimizationLasso-Hard
Convergence Value11.503
20
High-dimensional optimizationLIMO
Convergence Value-4.2479
20
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