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Scalable Global Optimization via Local Bayesian Optimization

About

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
High-dimensional optimizationMSLR
Convergence Value-8.9199
21
High-dimensional optimizationLasso-Hard
Convergence Value11.503
20
High-dimensional optimizationLIMO
Convergence Value-4.2479
20
Function OptimizationLevy D=1000
Convergence Value6.4294
19
Function OptimizationRosenbrock D=1000
Convergence Value8.00e+4
19
Function OptimizationSphere D=1000
Final Value29.7788
19
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