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Bayesian optimization (BO) is a widely used algorithm for solving expensive black-box optimization problems. However, its performance decreases significantly on high-dimensional problems due to the inherent high-dimensionality of the…

机器学习 · 计算机科学 2025-04-16 Jundi Huang , Dawei Zhan

In face recognition, designing margin-based (e.g., angular, additive, additive angular margins) softmax loss functions plays an important role in learning discriminative features. However, these hand-crafted heuristic methods are…

计算机视觉与模式识别 · 计算机科学 2020-07-14 Xiaobo Wang , Shuo Wang , Cheng Chi , Shifeng Zhang , Tao Mei

We present Acquisition Thompson Sampling (ATS), a novel technique for batch Bayesian Optimization (BO) based on the idea of sampling multiple acquisition functions from a stochastic process. We define this process through the dependency of…

The tuning of hyperparameters becomes increasingly important as machine learning (ML) models have been extensively applied in data mining applications. Among various approaches, Bayesian optimization (BO) is a successful methodology to tune…

机器学习 · 计算机科学 2022-06-07 Yang Li , Yu Shen , Huaijun Jiang , Tianyi Bai , Wentao Zhang , Ce Zhang , Bin Cui

Bayesian optimization (BO) is a class of global optimization algorithms, suitable for minimizing an expensive objective function in as few function evaluations as possible. While BO budgets are typically given in iterations, this implicitly…

机器学习 · 计算机科学 2020-03-25 Eric Hans Lee , Valerio Perrone , Cedric Archambeau , Matthias Seeger

We study the problem of feature selection in general machine learning (ML) context, which is one of the most critical subjects in the field. Although, there exist many feature selection methods, however, these methods face challenges such…

机器学习 · 计算机科学 2024-06-18 Mehmet Y. Turali , Mehmet E. Lorasdagi , Ali T. Koc , Suleyman S. Kozat

Bayesian optimization (BO) is a powerful approach for seeking the global optimum of expensive black-box functions and has proven successful for fine tuning hyper-parameters of machine learning models. However, BO is practically limited to…

机器学习 · 统计学 2020-09-28 Riccardo Moriconi , Marc P. Deisenroth , K. S. Sesh Kumar

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble…

机器学习 · 统计学 2023-03-22 Zahra Zanjani Foumani , Mehdi Shishehbor , Amin Yousefpour , Ramin Bostanabad

Bayesian optimization in large unstructured discrete spaces is often hindered by the computational cost of maximizing acquisition functions due to the absence of gradients. We propose a scalable alternative based on Thompson sampling that…

机器学习 · 计算机科学 2026-03-02 Nicolas Menet , Aleksandar Terzić , Michael Hersche , Andreas Krause , Abbas Rahimi

Bayesian optimization provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize…

机器学习 · 计算机科学 2025-11-18 Mike Diessner , Joseph O'Connor , Andrew Wynn , Sylvain Laizet , Yu Guan , Kevin Wilson , Richard D. Whalley

A Bayesian network is a widely used probabilistic graphical model with applications in knowledge discovery and prediction. Learning a Bayesian network (BN) from data can be cast as an optimization problem using the well-known…

人工智能 · 计算机科学 2018-11-14 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

Many real-world functions are defined over both categorical and category-specific continuous variables and thus cannot be optimized by traditional Bayesian optimization (BO) methods. To optimize such functions, we propose a new method that…

机器学习 · 计算机科学 2019-12-02 Dang Nguyen , Sunil Gupta , Santu Rana , Alistair Shilton , Svetha Venkatesh

Recent advances have extended the scope of Bayesian optimization (BO) to expensive-to-evaluate black-box functions with dozens of dimensions, aspiring to unlock impactful applications, for example, in the life sciences, neural architecture…

机器学习 · 计算机科学 2026-05-15 Leonard Papenmeier , Luigi Nardi , Matthias Poloczek

Large Language Models (LLMs) show promise for equation discovery, yet their outputs are highly sensitive to prompt phrasing, a phenomenon we term instruction brittleness. Static prompts cannot adapt to the evolving state of a multi-step…

机器学习 · 计算机科学 2026-01-05 Junqi Qu , Yan Zhang , Shangqian Gao , Shibo Li

Bayesian optimization (BO) is a popular methodology to tune the hyperparameters of expensive black-box functions. Traditionally, BO focuses on a single task at a time and is not designed to leverage information from related functions, such…

机器学习 · 统计学 2021-04-20 David Salinas , Huibin Shen , Valerio Perrone

We present a new implementation of the LLM-driven genetic algorithm {\it funsearch}, whose aim is to generate examples of interest to mathematicians and which has already had some success in problems in extremal combinatorics. Our…

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large…

Bayesian optimal experimental design has immense potential to inform the collection of data so as to subsequently enhance our understanding of a variety of processes. However, a major impediment is the difficulty in evaluating optimal…

统计计算 · 统计学 2018-03-14 David J. Price , Nigel G. Bean , Joshua V. Ross , Jonathan Tuke

Bayesian optimization (BO) efficiently finds high-performing parameters by maximizing an acquisition function, which models the promise of parameters. A major computational bottleneck arises in acquisition function optimization, where…

机器学习 · 计算机科学 2025-12-10 Kaichi Irie , Shuhei Watanabe , Masaki Onishi

The rise of Large Language Models (LLMs) has boosted the use of Few-Shot Learning (FSL) methods in natural language processing, achieving acceptable performance even when working with limited training data. The goal of FSL is to effectively…