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Deshwal, Aryan; Ament, Sebastian; Balandat, Maximilian; Bakshy, Eytan; Doppa, Janardhan Rao; Eriksson, David (, Proceedings of Machine Learning Research)
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Deshwal, Aryan; Ament, Sebastian; Balandat, Maximilian; Bakshy, Eytan; Doppa, Janardhan Rao; Eriksson, David (, AISTATS Conference)
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Jiang, Shali; Jiang, Daniel; Balandat, Maximilian; Karrer, Brian; Gardner, Jacob; Garnett, Roman (, Advances in neural information processing systems)null (Ed.)Bayesian optimization is a sequential decision making framework for optimizing expensive-to-evaluate black-box functions. Computing a full lookahead policy amounts to solving a highly intractable stochastic dynamic program. Myopic approaches, such as expected improvement, are often adopted in practice, but they ignore the long-term impact of the immediate decision. Existing nonmyopic approaches are mostly heuristic and/or computationally expensive. In this paper, we provide the first efficient implementation of general multi-step lookahead Bayesian optimization, formulated as a sequence of nested optimization problems within a multi-step scenario tree. Instead of solving these problems in a nested way, we equivalently optimize all decision variables in the full tree jointly, in a "one-shot" fashion. Combining this with an efficient method for implementing multi-step Gaussian process "fantasization," we demonstrate that multi-step expected improvement is computationally tractable and exhibits performance superior to existing methods on a wide range of benchmarks.more » « less
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