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Under review as a conference paper at ICLR 2027

Optimal Bayesian Optimization with Stereographic Functions

Abstract

In Bayesian optimization, the reward-maximizing policy solves a Bellman equation whose state is an entire posterior distribution, and that recursion is intractable; practice substitutes acquisition functions that look a single query ahead. We give a setting in which the optimal policy can instead be written down. The unknown function is linear in the stereographic projection of its input into , which makes it a smooth function of the input coordinates with one peak and one valley; evaluations are priced, and probing one known direction costs more than probing any other; and the learner is scored on a single final query, against a point drawn at random from those it could afford. The terminal reward turns out to be a quadratic form in the posterior mean whose weight matrix annihilates the expensive direction, so information about that direction has no value. The Bellman equation then admits a closed-form solution, and the optimal query schedule is non-adaptive: it can be computed in full before any data is seen. Choosing that schedule reduces to water-filling over the eigenvalues of the prior, which we solve in time, and the resulting design puts no weight on the expensive direction, so every query it issues costs only the base price. Experiments check the closed-form value function against Monte Carlo estimates and measure how much exact optimality is worth relative to structured baselines.

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