PI is back! Switching Acquisition Functions in Bayesian Optimization

Bayesian Optimization (BO) is a powerful, sample-efficient technique to optimize expensive-to-evaluate functions. Each of the BO components, such as the surrogate model, the acquisition function (AF), or the initial design, is subject to a wide range of design choices. Selecting the right components for a given optimization task is a challenging task, which can have significant impact on the quality of the obtained results. In this work, we initiate the analysis of which AF to favor for which optimization scenarios. To this end, we benchmark SMAC3 using Expected Improvement (EI) and Probability of Improvement (PI) as acquisition functions on the 24 BBOB functions of the COCO environment. We compare their results with those of schedules switching between AFs. One schedule aims to use EI's explorative behavior in the early optimization steps, and then switches to PI for a better exploitation in the final steps. We also compare this to a random schedule and round-robin selection of EI and PI. We observe that dynamic schedules oftentimes outperform any single static one. Our results suggest that a schedule that allocates the first 25 % of the optimization budget to EI and the last 75 % to PI is a reliable default. However, we also observe considerable performance differences for the 24 functions, suggesting that a per-instance allocation, possibly learned on the fly, could offer significant improvement over the state-of-the-art BO designs.Comment: 2022 NeurIPS Workshop on Gaussian Processes, Spatiotemporal Modeling, and Decision-making System

Output-Weighted Sampling for Multi-Armed Bandits with Extreme Payoffs

We present a new type of acquisition functions for online decision making in multi-armed and contextual bandit problems with extreme payoffs. Specifically, we model the payoff function as a Gaussian process and formulate a novel type of upper confidence bound (UCB) acquisition function that guides exploration towards the bandits that are deemed most relevant according to the variability of the observed rewards. This is achieved by computing a tractable likelihood ratio that quantifies the importance of the output relative to the inputs and essentially acts as an \textit{attention mechanism} that promotes exploration of extreme rewards. We demonstrate the benefits of the proposed methodology across several synthetic benchmarks, as well as a realistic example involving noisy sensor network data. Finally, we provide a JAX library for efficient bandit optimization using Gaussian processes.Comment: 10 pages, 4 figures, 1 tabl

Price of Safety in Linear Best Arm Identification

We introduce the safe best-arm identification framework with linear feedback, where the agent is subject to some stage-wise safety constraint that linearly depends on an unknown parameter vector. The agent must take actions in a conservative way so as to ensure that the safety constraint is not violated with high probability at each round. Ways of leveraging the linear structure for ensuring safety has been studied for regret minimization, but not for best-arm identification to the best our knowledge. We propose a gap-based algorithm that achieves meaningful sample complexity while ensuring the stage-wise safety. We show that we pay an extra term in the sample complexity due to the forced exploration phase incurred by the additional safety constraint. Experimental illustrations are provided to justify the design of our algorithm.Comment: 20 pages, 1 figure

Optimal Simple Regret in Bayesian Best Arm Identification

We consider Bayesian best arm identification in the multi-armed bandit problem. Assuming certain continuity conditions of the prior, we characterize the rate of the Bayesian simple regret. Differing from Bayesian regret minimization (Lai, 1987), the leading factor in Bayesian simple regret derives from the region where the gap between optimal and sub-optimal arms is smaller than $\sqrt{\frac{\log T}{T}}$. We propose a simple and easy-to-compute algorithm with its leading factor matches with the lower bound up to a constant factor; simulation results support our theoretical findings