Clustering-based Meta Bayesian Optimization with Theoretical Guarantee

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Main Authors: Nguyen, Khoa, Huynh, Viet, Tran, Binh, Pham, Tri, Huynh, Tin, Nguyen, Thin
Format: Preprint
Published: 2025
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author Nguyen, Khoa
Huynh, Viet
Tran, Binh
Pham, Tri
Huynh, Tin
Nguyen, Thin
author_facet Nguyen, Khoa
Huynh, Viet
Tran, Binh
Pham, Tri
Huynh, Tin
Nguyen, Thin
contents Bayesian Optimization (BO) is a well-established method for addressing black-box optimization problems. In many real-world scenarios, optimization often involves multiple functions, emphasizing the importance of leveraging data and learned functions from prior tasks to enhance efficiency in the current task. To expedite convergence to the global optimum, recent studies have introduced meta-learning strategies, collectively referred to as meta-BO, to incorporate knowledge from historical tasks. However, in practical settings, the underlying functions are often heterogeneous, which can adversely affect optimization performance for the current task. Additionally, when the number of historical tasks is large, meta-BO methods face significant scalability challenges. In this work, we propose a scalable and robust meta-BO method designed to address key challenges in heterogeneous and large-scale meta-tasks. Our approach (1) effectively partitions transferred meta-functions into highly homogeneous clusters, (2) learns the geometry-based surrogate prototype that capture the structural patterns within each cluster, and (3) adaptively synthesizes meta-priors during the online phase using statistical distance-based weighting policies. Experimental results on real-world hyperparameter optimization (HPO) tasks, combined with theoretical guarantees, demonstrate the robustness and effectiveness of our method in overcoming these challenges.
format Preprint
id arxiv_https___arxiv_org_abs_2503_06093
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Clustering-based Meta Bayesian Optimization with Theoretical Guarantee
Nguyen, Khoa
Huynh, Viet
Tran, Binh
Pham, Tri
Huynh, Tin
Nguyen, Thin
Machine Learning
Bayesian Optimization (BO) is a well-established method for addressing black-box optimization problems. In many real-world scenarios, optimization often involves multiple functions, emphasizing the importance of leveraging data and learned functions from prior tasks to enhance efficiency in the current task. To expedite convergence to the global optimum, recent studies have introduced meta-learning strategies, collectively referred to as meta-BO, to incorporate knowledge from historical tasks. However, in practical settings, the underlying functions are often heterogeneous, which can adversely affect optimization performance for the current task. Additionally, when the number of historical tasks is large, meta-BO methods face significant scalability challenges. In this work, we propose a scalable and robust meta-BO method designed to address key challenges in heterogeneous and large-scale meta-tasks. Our approach (1) effectively partitions transferred meta-functions into highly homogeneous clusters, (2) learns the geometry-based surrogate prototype that capture the structural patterns within each cluster, and (3) adaptively synthesizes meta-priors during the online phase using statistical distance-based weighting policies. Experimental results on real-world hyperparameter optimization (HPO) tasks, combined with theoretical guarantees, demonstrate the robustness and effectiveness of our method in overcoming these challenges.
title Clustering-based Meta Bayesian Optimization with Theoretical Guarantee
topic Machine Learning
url https://arxiv.org/abs/2503.06093