This paper presents an information-theoretic framework for unifying active learning problems: level set estimation (LSE), Bayesian optimization (BO), and their generalized variant. We first introduce a novel active learning criterion that subsumes an existing LSE algorithm and achieves state-of-the-art performance in LSE problems with a continuous input domain. Then, by exploiting the relationship between LSE and BO, we design a competitive information-theoretic acquisition function for BO that has interesting connections to upper confidence bound and max-value entropy search (MES). The latter connection reveals a drawback of MES which has important implications on not only MES but also on other MES-based acquisition functions. Finally, our unifying information-theoretic framework can be applied to solve a generalized problem of LSE and BO involving multiple level sets in a data-efficient manner. We empirically evaluate the performance of our proposed algorithms using synthetic benchmark functions, a real-world dataset, and in hyperparameter tuning of machine learning models.

Level Set Estimation (LSE) is an important problem with applications in various fields such as material design, biotechnology, machine operational testing, etc. Existing techniques suffer from the scalability issue, that is, these methods do not work well with high dimensional inputs. This paper proposes novel methods to solve the high dimensional LSE problems using Bayesian Neural Networks. In particular, we consider two types of LSE problems: (1) \textit{explicit} LSE problem where the threshold level is a fixed user-specified value, and, (2) \textit{implicit} LSE problem where the threshold level is defined as a percentage of the (unknown) maximum of the objective function. For each problem, we derive the corresponding theoretic information based acquisition function to sample the data points so as to maximally increase the level set accuracy. Furthermore, we also analyse the theoretical time complexity of our proposed acquisition functions, and suggest a practical methodology to efficiently tune the network hyper-parameters to achieve high model accuracy. Numerical experiments on both synthetic and real-world datasets show that our proposed method can achieve better results compared to existing state-of-the-art approaches.