AI & Computational Science

Information-Theoretic Bayesian Optimization for Bilevel Optimization Problems

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This paper presents a new Bayesian optimization method for solving bilevel optimization problems, where one optimization problem is nested within another and both involve expensive black-box functions that are computationally costly to evaluate. The researchers developed an information-theoretic approach that simultaneously measures the benefit of acquiring information about optimal solutions at both the upper and lower levels, creating a unified criterion for deciding where to sample next. They validated their method on multiple benchmark datasets, demonstrating improved performance over existing approaches.


Bilevel optimization problems appear frequently in real-world applications such as hyperparameter tuning in machine learning, resource allocation, and engineering design where constraints depend on solving nested optimization problems. This method could significantly reduce the computational cost of solving such problems by more intelligently selecting which expensive function evaluations to perform.


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arXiv:2509.21725v3 Announce Type: replace
Abstract: A bilevel optimization problem consists of two optimization problems nested as an upper- and a lower-level problem, in which the optimality of the lower-level problem defines a constraint for the upper-level problem. This paper considers Bayesian optimization (BO) for the case that both the upper- and lower-levels involve expensive black-box functions. Because of its nested structure, bilevel optimization has a complex problem definition, by which bilevel BO has not been widely studied compared with other standard extensions of BO such as multi-objective or constraint problems. We propose an information-theoretic approach that considers the information gain of both the upper- and lower-optimal solutions and values. This enables us to define a unified criterion that measures the benefit for both level problems, simultaneously. Further, we also show a practical lower bound based approach to evaluating the information gain. We empirically demonstrate the effectiveness of our proposed method through several benchmark datasets.

Source: Information-Theoretic Bayesian Optimization for Bilevel Optimization Problems