Exponential Regret Bounds for Gaussian Process Bandits with Deterministic Observations

arXiv.org Machine Learning

This paper analyzes the problem of Gaussian process (GP) bandits with deterministic observations. The analysis uses a branch and bound algorithm that is related to the UCB algorithm of (Srinivas et al, 2010). For GPs with Gaussian observation noise, with variance strictly greater than zero, Srinivas et al proved that the regret vanishes at the approximate rate of $O(1/\sqrt{t})$, where t is the number of observations. To complement their result, we attack the deterministic case and attain a much faster exponential convergence rate. Under some regularity assumptions, we show that the regret decreases asymptotically according to $O(e^{-\frac{\tau t}{(\ln t)^{d/4}}})$ with high probability. Here, d is the dimension of the search space and tau is a constant that depends on the behaviour of the objective function near its global maximum.

Gaussian Process Optimization with Mutual Information

arXiv.org Machine Learning

In this paper, we analyze a generic algorithm scheme for sequential global optimization using Gaussian processes. The upper bounds we derive on the cumulative regret for this generic algorithm improve by an exponential factor the previously known bounds for algorithms like GP-UCB. We also introduce the novel Gaussian Process Mutual Information algorithm (GP-MI), which significantly improves further these upper bounds for the cumulative regret. We confirm the efficiency of this algorithm on synthetic and real tasks against the natural competitor, GP-UCB, and also the Expected Improvement heuristic.

Tight Regret Bounds for Bayesian Optimization in One Dimension

arXiv.org Machine Learning

We consider the problem of Bayesian optimization (BO) in one dimension, under a Gaussian process prior and Gaussian sampling noise. We provide a theoretical analysis showing that, under fairly mild technical assumptions on the kernel, the best possible cumulative regret up to time $T$ behaves as $\Omega(\sqrt{T})$ and $O(\sqrt{T\log T})$. This gives a tight characterization up to a $\sqrt{\log T}$ factor, and includes the first non-trivial lower bound for noisy BO. Our assumptions are satisfied, for example, by the squared exponential and Mat\'ern-$\nu$ kernels, with the latter requiring $\nu > 2$. Our results certify the near-optimality of existing bounds (Srinivas {\em et al.}, 2009) for the SE kernel, while proving them to be strictly suboptimal for the Mat\'ern kernel with $\nu > 2$.

Contextual Gaussian Process Bandit Optimization

Neural Information Processing Systems

How should we design experiments to maximize performance of a complex system, taking into account uncontrollable environmental conditions? How should we select relevant documents (ads) to display, given information about the user? These tasks can be formalized as contextual bandit problems, where at each round, we receive context (about the experimental conditions, the query), and have to choose an action (parameters, documents). The key challenge is to trade off exploration by gathering data for estimating the mean payoff function over the context-action space, and to exploit by choosing an action deemed optimal based on the gathered data. We model the payoff function as a sample from a Gaussian process defined over the joint context-action space, and develop CGP-UCB, an intuitive upper-confidence style algorithm. We show that by mixing and matching kernels for contexts and actions, CGP-UCB can handle a variety of practical applications. We further provide generic tools for deriving regret bounds when using such composite kernel functions. Lastly, we evaluate our algorithm on two case studies, in the context of automated vaccine design and sensor management. We show that context-sensitive optimization outperforms no or naive use of context.

Parallelizing Exploration-Exploitation Tradeoffs with Gaussian Process Bandit Optimization

arXiv.org Machine Learning

Can one parallelize complex exploration exploitation tradeoffs? As an example, consider the problem of optimal high-throughput experimental design, where we wish to sequentially design batches of experiments in order to simultaneously learn a surrogate function mapping stimulus to response and identify the maximum of the function. We formalize the task as a multi-armed bandit problem, where the unknown payoff function is sampled from a Gaussian process (GP), and instead of a single arm, in each round we pull a batch of several arms in parallel. We develop GP-BUCB, a principled algorithm for choosing batches, based on the GP-UCB algorithm for sequential GP optimization. We prove a surprising result; as compared to the sequential approach, the cumulative regret of the parallel algorithm only increases by a constant factor independent of the batch size B. Our results provide rigorous theoretical support for exploiting parallelism in Bayesian global optimization. We demonstrate the effectiveness of our approach on two real-world applications.