The reparameterization trick for acquisition functions
About
Bayesian optimization is a sample-efficient approach to solving global optimization problems. Along with a surrogate model, this approach relies on theoretically motivated value heuristics (acquisition functions) to guide the search process. Maximizing acquisition functions yields the best performance; unfortunately, this ideal is difficult to achieve since optimizing acquisition functions per se is frequently non-trivial. This statement is especially true in the parallel setting, where acquisition functions are routinely non-convex, high-dimensional, and intractable. Here, we demonstrate how many popular acquisition functions can be formulated as Gaussian integrals amenable to the reparameterization trick and, ensuingly, gradient-based optimization. Further, we use this reparameterized representation to derive an efficient Monte Carlo estimator for the upper confidence bound acquisition function in the context of parallel selection.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Offline Black-box Optimization | D'Kitty | Normalized Median Score0.883 | 25 | |
| Offline Black-box Optimization | LLM-DM | Normalized Median Score89.2 | 25 | |
| Offline Black-box Optimization | Ant | Normalized Median Score0.567 | 25 | |
| Offline Black-box Optimization | TF8 | Normalized Median Score43.9 | 25 | |
| Offline Black-box Optimization | TF10 | Normalized Median Score0.467 | 25 | |
| Offline Black-box Optimization | SuperC | Normalized Median Score30 | 25 | |
| Offline Black-box Optimization | Overall Task Suite SuperC, Ant, D’Kitty, LLM-DM, TF8, TF10 | Mean Rank15.5 | 24 | |
| Offline Model-Based Optimization | D'Kitty Morphology Design-Bench | 100th Percentile Score89.6 | 23 | |
| Offline Model-Based Optimization | Ant Morphology Design-Bench | 100th Percentile Score0.819 | 23 | |
| Offline Model-Based Optimization | Superconductor Design-Bench | Score (P100)40.2 | 22 |