We provide the supplements of "Contextual Gaussian Process Bandits with Neural Networks" here. Specifically, we discuss alternative acquisition functions that can be incorporated with the neural network-accompanied Gaussian process (NN-AGP) model in Section 6. In Section 7, we discuss the bandit algorithm with NN-AGP, where the neural network approximation error is considered. In Section 8, we provide the detailed proof of theorems. We provide the experimental details and include additional numerical experiments in Section 9. Last we discuss the limitations of NN-AGP and propose the potential approaches to addressing the limitations for future work, including sparse NN-AGP for alleviating computational burdens and transfer learning with NN-AGP to address cold-start issue; see Section 10. In the main text, we employ the upper confidence bound function as the acquisition function in the contextual Bayesian optimization approach. Here, we provide two alternative choices: Thompson sampling (TS) and knowledge gradient (KG). We describe the two procedures of the contextual GP bandit problems with NN-AGP, where the acquisition function is replaced by TS or KG. It chooses the action that maximizes the expected reward with respect to a random belief that is drawn for a posterior distribution. Besides the multi-armed bandit problems, TS has also achieved both theoretical and practical success in BO and Gaussian process regression. For more detailed discussions on TS, we refer to [87, 88]. Specifically, we propose a neural network-accompanied Gaussian process Thompson sampling (NNAGP-TS) approach to address contextual GP bandits. The approach works as follows. In each iteration, NN-AGP-TS first fits an NN-AGP model with the historic data. Then, given the current contextual variable, a realization of the Gaussian process with respect to x X is sampled from the posterior distribution conditional on the historic data1.

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.

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.

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.

Contextual bandits are a form of multi-armed bandit in which the agent has access to predictive side information (known as the context) for each arm at each time step, and have been used to model personalized news recommendation, ad placement, and other applications. In this work, we propose a multi-task learning framework for contextual bandit problems. Like multi-task learning in the batch setting, the goal is to leverage similarities in contexts for different arms so as to improve the agent's ability to predict rewards from contexts. We propose an upper confidence bound-based multi-task learning algorithm for contextual bandits, establish a corresponding regret bound, and interpret this bound to quantify the advantages of learning in the presence of high task (arm) similarity. We also describe an effective scheme for estimating task similarity from data, and demonstrate our algorithm's performance on several data sets.

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.