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Knowledge Gradient for Preference Learning

Wu, Kaiwen, Gardner, Jacob R.

arXiv.org Machine Learning

The knowledge gradient is a popular acquisition function in Bayesian optimization (BO) for optimizing black-box objectives with noisy function evaluations. Many practical settings, however, allow only pairwise comparison queries, yielding a preferential BO problem where direct function evaluations are unavailable. Extending the knowledge gradient to preferential BO is hindered by its computational challenge. At its core, the look-ahead step in the preferential setting requires computing a non-Gaussian posterior, which was previously considered intractable. In this paper, we address this challenge by deriving an exact and analytical knowledge gradient for preferential BO. We show that the exact knowledge gradient performs strongly on a suite of benchmark problems, often outperforming existing acquisition functions. In addition, we also present a case study illustrating the limitation of the knowledge gradient in certain scenarios.


Multi-Information Source Optimization

Matthias Poloczek, Jialei Wang, Peter Frazier

Neural Information Processing Systems

This acquisition function generalizes and parallelizes previously proposed knowledge-gradient methods for single-IS Bayesian optimization [7, 8, 28, 26, 37] to MISO. We prove that this algorithm provides an asymptotically near-optimal solution.





Fast Bayesian Optimization of Function Networks with Partial Evaluations

Buathong, Poompol, Frazier, Peter I.

arXiv.org Machine Learning

Bayesian optimization of function networks (BOFN) is a framework for optimizing expensive-to-evaluate objective functions structured as networks, where some nodes' outputs serve as inputs for others. Many real-world applications, such as manufacturing and drug discovery, involve function networks with additional properties - nodes that can be evaluated independently and incur varying costs. A recent BOFN variant, p-KGFN, leverages this structure and enables cost-aware partial evaluations, selectively querying only a subset of nodes at each iteration. p-KGFN reduces the number of expensive objective function evaluations needed but has a large computational overhead: choosing where to evaluate requires optimizing a nested Monte Carlo-based acquisition function for each node in the network. To address this, we propose an accelerated p-KGFN algorithm that reduces computational overhead with only a modest loss in query efficiency. Key to our approach is generation of node-specific candidate inputs for each node in the network via one inexpensive global Monte Carlo simulation. Numerical experiments show that our method maintains competitive query efficiency while achieving up to a 16x speedup over the original p-KGFN algorithm.