Targeted Variance Reduction: Robust Bayesian Optimization of Black-Box Simulators with Noise Parameters

TL;DR

This paper introduces Targeted Variance Reduction (TVR), a novel Bayesian optimization method that jointly considers control parameters and noise uncertainties to efficiently optimize black-box simulators under uncertainty.

Contribution

The paper proposes TVR, a joint acquisition function for robust Bayesian optimization that explicitly targets variance reduction, improving over existing separate-stage methods.

Findings

TVR outperforms state-of-the-art methods in numerical experiments.

TVR effectively handles non-Gaussian noise distributions.

Application to automobile brake design demonstrates practical benefits.

Abstract

The optimization of a black-box simulator over control parameters $\mathbf{x}$ arises in a myriad of scientific applications. In such applications, the simulator often takes the form $f(\mathbf{x},\boldsymbol{\theta})$, where $\boldsymbol{\theta}$ are parameters that are uncertain in practice. Robust optimization aims to optimize the objective $\mathbb{E}[f(\mathbf{x},\boldsymbol{\Theta})]$, where $\boldsymbol{\Theta} \sim \mathcal{P}$ is a random variable that models uncertainty on $\boldsymbol{\theta}$. For this, existing black-box methods typically employ a two-stage approach for selecting the next point $(\mathbf{x},\boldsymbol{\theta})$, where $\mathbf{x}$ and $\boldsymbol{\theta}$ are optimized separately via different acquisition functions. As such, these approaches do not employ a joint acquisition over $(\mathbf{x},\boldsymbol{\theta})$, and thus may fail to fully exploit control-to-noise interactions for effective robust optimization. To address this, we propose a new Bayesian optimization method called Targeted Variance Reduction (TVR). The TVR leverages a novel joint acquisition function over $(\mathbf{x},\boldsymbol{\theta})$, which targets variance reduction on the objective within the desired region of improvement. Under a Gaussian process surrogate on $f$, the TVR acquisition can be evaluated in closed form, and reveals an insightful exploration-exploitation-precision trade-off for robust black-box optimization. The TVR can further accommodate a broad class of non-Gaussian distributions on $\mathcal{P}$ via a careful integration of normalizing flows. We demonstrate the improved performance of TVR over the state-of-the-art in a suite of numerical experiments and an application to the robust design of automobile brake discs under operational uncertainty.