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For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these…

Machine Learning · Computer Science 2023-09-06 Janina Schreiber , Damar Wicaksono , Michael Hecht

Bayesian optimization (BO) is a principled approach to molecular design tasks. In this paper we explain three pitfalls of BO which can cause poor empirical performance: an incorrect prior width, over-smoothing, and inadequate acquisition…

Machine Learning · Computer Science 2024-07-26 Austin Tripp , José Miguel Hernández-Lobato

Bayesian optimization (BO) aims to minimize a given blackbox function using a model that is updated whenever new evidence about the function becomes available. Here, we address the problem of BO under partially right-censored response data,…

Artificial Intelligence · Computer Science 2013-10-09 Frank Hutter , Holger Hoos , Kevin Leyton-Brown

Machine learning (ML) methods offer a wide range of configurable hyperparameters that have a significant influence on their performance. While accuracy is a commonly used performance objective, in many settings, it is not sufficient.…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Tyler Chang , Yixuan Sun , Venkatram Vishwanath , Prasanna Balaprakash

The Quadratic Unconstrained Binary Optimization problem (QUBO) has become a unifying model for representing a wide range of combinatorial optimization problems, and for linking a variety of disciplines that face these problems. A new class…

Artificial Intelligence · Computer Science 2017-05-30 Mark Lewis , Fred Glover

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…

Data Analysis, Statistics and Probability · Physics 2023-10-16 Laurits Tani , Christian Veelken

This paper provides an in-depth empirical analysis of several evolutionary algorithms on the one-dimensional spin glass model with power-law interactions. The considered spin glass model provides a mechanism for tuning the effective range…

Disordered Systems and Neural Networks · Physics 2009-07-29 Martin Pelikan , Helmut G. Katzgraber

This paper presents a novel decentralized high-dimensional Bayesian optimization (DEC-HBO) algorithm that, in contrast to existing HBO algorithms, can exploit the interdependent effects of various input components on the output of the…

Machine Learning · Statistics 2018-01-25 Trong Nghia Hoang , Quang Minh Hoang , Ruofei Ouyang , Kian Hsiang Low

Bayesian optimization (BO) recently became popular in robotics to optimize control parameters and parametric policies in direct reinforcement learning due to its data efficiency and gradient-free approach. However, its performance may be…

Robotics · Computer Science 2019-10-14 Noémie Jaquier , Leonel Rozo , Sylvain Calinon , Mathias Bürger

Optimizing black-box functions in high-dimensional search spaces has been known to be challenging for traditional Bayesian Optimization (BO). In this paper, we introduce HiBO, a novel hierarchical algorithm integrating global-level search…

Machine Learning · Computer Science 2025-04-04 Wenxuan Li , Taiyi Wang , Eiko Yoneki

An unbounded external archive (UEA), which stores all nondominated solutions found during the search process, is frequently used to evaluate the performance of multi-objective evolutionary algorithms (MOEAs) in recent studies. A recent…

Neural and Evolutionary Computing · Computer Science 2020-10-05 Ryoji Tanabe , Hisao Ishibuchi

For a learning automaton, a proper configuration of its learning parameters, which are crucial for the automaton's performance, is relatively difficult due to the necessity of a manual parameter tuning before real applications. To ensure a…

Machine Learning · Computer Science 2017-11-29 Hao Ge

The choices of hyperparameters have critical effects on the performance of machine learning models. In this paper, we present a general framework that is able to construct an adaptive optimizer, which automatically adjust the appropriate…

Machine Learning · Computer Science 2022-01-31 Huayuan Sun

Bayesian optimization (BO), while proved highly effective for many black-box function optimization tasks, requires practitioners to carefully select priors that well model their functions of interest. Rather than specifying by hand,…

Machine Learning · Computer Science 2023-09-29 Zhou Fan , Xinran Han , Zi Wang

Most machine learning methods require careful selection of hyper-parameters in order to train a high performing model with good generalization abilities. Hence, several automatic selection algorithms have been introduced to overcome tedious…

Machine Learning · Computer Science 2020-01-17 Raju Ram , Sabine Müller , Franz-Josef Pfreundt , Nicolas R. Gauger , Janis Keuper

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

Machine Learning · Computer Science 2025-05-28 Wenhu Li , Niki van Stein , Thomas Bäck , Elena Raponi

Bayesian optimization (BO) is a sample-efficient global optimization algorithm for black-box functions which are expensive to evaluate. Existing literature on model based optimization in conditional parameter spaces are usually built on…

Machine Learning · Statistics 2020-10-08 Xingchen Ma , Matthew B. Blaschko

We present K-Means Batch Bayesian Optimization (KMBBO), a novel batch sampling algorithm for Bayesian Optimization (BO). KMBBO uses unsupervised learning to efficiently estimate peaks of the model acquisition function. We show in empirical…

Machine Learning · Statistics 2018-09-20 Matthew Groves , Edward O. Pyzer-Knapp

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.…

Machine Learning · Computer Science 2020-12-15 Yaru Li , Yulai Zhang

In this paper, we propose an interior-point method for linearly constrained optimization problems (possibly nonconvex). The method - which we call the Hessian barrier algorithm (HBA) - combines a forward Euler discretization of Hessian…

Optimization and Control · Mathematics 2023-09-14 Immanuel M. Bomze , Panayotis Mertikopoulos , Werner Schachinger , Mathias Staudigl