Learning Search Space Partition for Black-box Optimization using Monte Carlo Tree Search
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Navigation | MiniWorld FourRooms | Success Rate20.3 | 15 | |
| Navigation | MiniWorld MazeS3 | Success Rate23.4 | 14 | |
| Black-box Optimization | Hartmann-6D 300 evaluations | Wall Clock Time (s)25.853 | 10 | |
| Black-box Optimization | Hartmann-6D 500 evaluations | Wall Clock Time (s)34.381 | 10 | |
| Navigation | MiniWorld SelectObj | Success Rate80 | 9 | |
| Black-box Optimization | Levy-10D 100 evaluations | Wall Clock Time (s)14.431 | 8 | |
| Black-box Optimization | Levy-10D 300 evaluations | Wall Clock Time (s)22.165 | 8 | |
| Molecular Design | QED | QED Score0.914 | 5 | |
| Molecular Design | DRD2 | Property Score0.323 | 5 | |
| Molecular Design | SARS | Property Score0.452 | 5 |