Information Theoretic Bayesian Optimization over the Probability Simplex

Fuente: arXiv
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Auteurs principaux: Pavesi, Federico, Candelieri, Antonio, Jaquier, Noémie
Format: Preprint
Publié: 2026
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author Pavesi, Federico
Candelieri, Antonio
Jaquier, Noémie
author_facet Pavesi, Federico
Candelieri, Antonio
Jaquier, Noémie
contents Bayesian optimization is a data-efficient technique that has been shown to be extremely powerful to optimize expensive, black-box, and possibly noisy objective functions. Many applications involve optimizing probabilities and mixtures which naturally belong to the probability simplex, a constrained non-Euclidean domain defined by non-negative entries summing to one. This paper introduces $α$-GaBO, a novel family of Bayesian optimization algorithms over the probability simplex. Our approach is grounded in information geometry, a branch of Riemannian geometry which endows the simplex with a Riemannian metric and a class of connections. Based on information geometry theory, we construct Matérn kernels that reflect the geometry of the probability simplex, as well as a one-parameter family of geometric optimizers for the acquisition function. We validate our method on benchmark functions and on a variety of real-world applications including mixtures of components, mixtures of classifiers, and a robotic control task, showing its increased performance compared to constrained Euclidean approaches.
format Preprint
id arxiv_https___arxiv_org_abs_2603_09793
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Information Theoretic Bayesian Optimization over the Probability Simplex
Pavesi, Federico
Candelieri, Antonio
Jaquier, Noémie
Machine Learning
Bayesian optimization is a data-efficient technique that has been shown to be extremely powerful to optimize expensive, black-box, and possibly noisy objective functions. Many applications involve optimizing probabilities and mixtures which naturally belong to the probability simplex, a constrained non-Euclidean domain defined by non-negative entries summing to one. This paper introduces $α$-GaBO, a novel family of Bayesian optimization algorithms over the probability simplex. Our approach is grounded in information geometry, a branch of Riemannian geometry which endows the simplex with a Riemannian metric and a class of connections. Based on information geometry theory, we construct Matérn kernels that reflect the geometry of the probability simplex, as well as a one-parameter family of geometric optimizers for the acquisition function. We validate our method on benchmark functions and on a variety of real-world applications including mixtures of components, mixtures of classifiers, and a robotic control task, showing its increased performance compared to constrained Euclidean approaches.
title Information Theoretic Bayesian Optimization over the Probability Simplex
topic Machine Learning
url https://arxiv.org/abs/2603.09793