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Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to…

机器学习 · 计算机科学 2023-05-04 Natalie Maus , Kaiwen Wu , David Eriksson , Jacob Gardner

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we…

最优化与控制 · 数学 2024-02-13 Jeongyeol Kwon , Dohyun Kwon , Stephen Wright , Robert Nowak

Bayesian optimization (BO) is a powerful paradigm for optimizing expensive black-box functions. Traditional BO methods typically rely on separate hand-crafted acquisition functions and surrogate models for the underlying function, and often…

机器学习 · 计算机科学 2025-07-10 Fengxue Zhang , Yuxin Chen

In this paper, we study two important problems in the automated design of neural networks -- Hyper-parameter Optimization (HPO), and Neural Architecture Search (NAS) -- through the lens of sparse recovery methods. In the first part of this…

机器学习 · 计算机科学 2020-07-09 Minsu Cho , Mohammadreza Soltani , Chinmay Hegde

Machine learning algorithms in high-dimensional settings are highly susceptible to the influence of even a small fraction of structured outliers, making robust optimization techniques essential. In particular, within the…

机器学习 · 计算机科学 2025-04-25 Changyu Gao , Andrew Lowy , Xingyu Zhou , Stephen J. Wright

Particle swarm optimization (PSO) method cannot be directly used in the problem of hyper-parameter estimation since the mathematical formulation of the mapping from hyper-parameters to loss function or generalization accuracy is unclear.…

机器学习 · 计算机科学 2020-12-15 Yaru Li , Yulai Zhang

Bayesian optimization (BO) is a sample-efficient approach for tuning design parameters to optimize expensive-to-evaluate, black-box performance metrics. In many manufacturing processes, the design parameters are subject to random input…

机器学习 · 计算机科学 2022-06-06 Samuel Daulton , Sait Cakmak , Maximilian Balandat , Michael A. Osborne , Enlu Zhou , Eytan Bakshy

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

机器学习 · 计算机科学 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

In this work, we introduce new direct search schemes for the solution of bilevel optimization (BO) problems. Our methods rely on a fixed accuracy black box oracle for the lower-level problem, and deal both with smooth and potentially…

最优化与控制 · 数学 2023-09-14 Youssef Diouane , Vyacheslav Kungurtsev , Francesco Rinaldi , Damiano Zeffiro

Optimizing expensive black-box objectives over mixed search spaces is a common challenge across the natural sciences. Bayesian optimization (BO) offers sample-efficient strategies through probabilistic surrogate models and acquisition…

机器学习 · 计算机科学 2026-04-10 Yuhao Zhang , Ti John , Matthias Stosiek , Patrick Rinke

In this paper, we focus on the nonconvex-nonconvex bilevel optimization problem (BLO), where both upper-level and lower-level objectives are nonconvex, with the upper-level problem potentially being nonsmooth. We develop a two-timescale…

最优化与控制 · 数学 2026-04-24 Nachuan Xiao , Xiaoyin Hu , Xin Liu , Kim-Chuan Toh

Bayesian optimisation (BO) is a well-known efficient algorithm for finding the global optimum of expensive, black-box functions. The current practical BO algorithms have regret bounds ranging from $\mathcal{O}(\frac{logN}{\sqrt{N}})$ to…

机器学习 · 计算机科学 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Svetha Venkatesh

Bayesian optimization (BO) is a popular approach to optimize expensive-to-evaluate black-box functions. A significant challenge in BO is to scale to high-dimensional parameter spaces while retaining sample efficiency. A solution considered…

机器学习 · 统计学 2020-10-26 Benjamin Letham , Roberto Calandra , Akshara Rai , Eytan Bakshy

In this paper, we theoretically justify an approach popular among participants of the Higgs Boson Machine Learning Challenge to optimize approximate median significance (AMS). The approach is based on the following two-stage procedure.…

机器学习 · 计算机科学 2014-12-08 Wojciech Kotłowski

Purpose: Quasi-random Sobol-based sampling schemes exhibit deterministic structural artifacts when aggressively undersampled, particularly at low encoding densities required for accelerated 2D SPI/CSI. To address these limitations, two…

医学物理 · 物理学 2026-04-22 Fabian Bschorr , Pia Gebhard , Tobias Speidel , Volker Rasche

Bayesian optimization (BO) has become an indispensable tool for autonomous decision-making across diverse applications from autonomous vehicle control to accelerated drug and materials discovery. With the growing interest in self-driving…

机器学习 · 计算机科学 2025-08-22 Gary Tom , Stanley Lo , Samantha Corapi , Alan Aspuru-Guzik , Benjamin Sanchez-Lengeling

Bayesian optimization (BO) suffers from long computing times when processing highly-dimensional or large data sets. These long computing times are a result of the Gaussian process surrogate model having a polynomial time complexity with the…

机器学习 · 计算机科学 2023-09-12 Alexander E. Siemenn , Tonio Buonassisi

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such…

机器学习 · 计算机科学 2023-11-07 Lin Yang , Junlong Lyu , Wenlong Lyu , Zhitang Chen

When using machine learning (ML) techniques, users typically need to choose a plethora of algorithm-specific parameters, referred to as hyperparameters. In this paper, we compare the performance of two algorithms, particle swarm…

数据分析、统计与概率 · 物理学 2023-10-16 Laurits Tani , Christian Veelken

Meta-learning methods aim to build learning algorithms capable of quickly adapting to new tasks in low-data regime. One of the most difficult benchmarks of such algorithms is a one-shot learning problem. In this setting many algorithms face…

机器学习 · 计算机科学 2022-10-04 Andrei Boiarov , Kostiantyn Khabarlak , Igor Yastrebov