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Learning Search Space Partition for Black-box Optimization using Monte Carlo Tree Search

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High dimensional black-box optimization has broad applications but remains a challenging problem to solve. Given a set of samples $\{\vx_i, y_i\}$, building a global model (like Bayesian Optimization (BO)) suffers from the curse of dimensionality in the high-dimensional search space, while a greedy search may lead to sub-optimality. By recursively splitting the search space into regions with high/low function values, recent works like LaNAS shows good performance in Neural Architecture Search (NAS), reducing the sample complexity empirically. In this paper, we coin LA-MCTS that extends LaNAS to other domains. Unlike previous approaches, LA-MCTS learns the partition of the search space using a few samples and their function values in an online fashion. While LaNAS uses linear partition and performs uniform sampling in each region, our LA-MCTS adopts a nonlinear decision boundary and learns a local model to pick good candidates. If the nonlinear partition function and the local model fits well with ground-truth black-box function, then good partitions and candidates can be reached with much fewer samples. LA-MCTS serves as a \emph{meta-algorithm} by using existing black-box optimizers (e.g., BO, TuRBO) as its local models, achieving strong performance in general black-box optimization and reinforcement learning benchmarks, in particular for high-dimensional problems.

Linnan Wang, Rodrigo Fonseca, Yuandong Tian• 2020

Related benchmarks

TaskDatasetResultRank
NavigationMiniWorld FourRooms
Success Rate20.3
15
NavigationMiniWorld MazeS3
Success Rate23.4
14
Black-box OptimizationHartmann-6D 300 evaluations
Wall Clock Time (s)25.853
10
Black-box OptimizationHartmann-6D 500 evaluations
Wall Clock Time (s)34.381
10
NavigationMiniWorld SelectObj
Success Rate80
9
Black-box OptimizationLevy-10D 100 evaluations
Wall Clock Time (s)14.431
8
Black-box OptimizationLevy-10D 300 evaluations
Wall Clock Time (s)22.165
8
Molecular DesignQED
QED Score0.914
5
Molecular DesignDRD2
Property Score0.323
5
Molecular DesignSARS
Property Score0.452
5
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