Simulating, Fast and Slow: Learning Policies for Black-Box Optimization

arXiv:2406.04261v2 Announce Type: replace Abstract: Simulators are vital in science and engineering, as they faithfully model the influence of design parameters on real-world observations. Optimizing design parameters to minimize a desired objective function is notoriously challenging since simulators are often non-differentiable black boxes. Moreover, each simulation incurs significant compute time, thus doing such optimizations naively may be prohibitively expensive. Furthermore, in experiment design settings, practitioners are typically required to solve the same optimization problem for various input distributions before proceeding to real-world experiments. Starting these related optimizations from scratch each time can be inefficient if the forward simulation model is expensive to evaluate. To address these challenges, this paper introduces a novel method for solving black-box optimization problems on various input distributions by learning a policy that guides the training of a differentiable surrogate. The surrogate's gradients are then used to optimize the simulation parameters with SGD. After training the policy, the cost for downstream optimization of problems involving black-box simulators is amortized, and we require up to $10\times$ fewer expensive simulator calls compared to baselines such as previous local surrogate-based approaches, numerical optimization, and Bayesian optimization.