Bayesian Optimization with Gradients
This addresses the inefficiency of derivative-free optimization for expensive-to-evaluate functions, offering a significant improvement for machine learning practitioners, though it is an incremental advance over existing Bayesian optimization methods.
The paper tackles the problem of reducing the number of objective function evaluations in Bayesian optimization by incorporating derivative information, resulting in a novel algorithm (dKG) that achieves state-of-the-art performance across various benchmarks.
Bayesian optimization has been successful at global optimization of expensive-to-evaluate multimodal objective functions. However, unlike most optimization methods, Bayesian optimization typically does not use derivative information. In this paper we show how Bayesian optimization can exploit derivative information to decrease the number of objective function evaluations required for good performance. In particular, we develop a novel Bayesian optimization algorithm, the derivative-enabled knowledge-gradient (dKG), for which we show one-step Bayes-optimality, asymptotic consistency, and greater one-step value of information than is possible in the derivative-free setting. Our procedure accommodates noisy and incomplete derivative information, comes in both sequential and batch forms, and can optionally reduce the computational cost of inference through automatically selected retention of a single directional derivative. We also compute the d-KG acquisition function and its gradient using a novel fast discretization-free technique. We show d-KG provides state-of-the-art performance compared to a wide range of optimization procedures with and without gradients, on benchmarks including logistic regression, deep learning, kernel learning, and k-nearest neighbors.