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Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

We develop parallel predictive entropy search (PPES), a novel algorithm for Bayesian optimization of expensive black-box objective functions. At each iteration, PPES aims to select a batch of points which will maximize the information gain…

Machine Learning · Computer Science 2015-11-24 Amar Shah , Zoubin Ghahramani

Automatic cubatures approximate integrals to user-specified error tolerances. For high dimensional problems, it is difficult to adaptively change the sampling pattern to focus on peaks because peaks can hide more easily in high dimensional…

Numerical Analysis · Mathematics 2022-10-10 Jagadeeswaran Rathinavel

The evaluation of heuristic optimizers on test problems, better known as \emph{benchmarking}, is a cornerstone of research in multi-objective optimization. However, most test problems used in benchmarking numerical multi-objective black-box…

Optimization and Control · Mathematics 2026-01-26 Lennart Schäpermeier , Pascal Kerschke

A natural way to quantify uncertainties in Gaussian mixture models (GMMs) is through Bayesian methods. That said, sampling from the joint posterior distribution of GMMs via standard Markov chain Monte Carlo (MCMC) imposes several…

Methodology · Statistics 2024-05-20 Santiago Marin , Bronwyn Loong , Anton H. Westveld

In this paper, we propose a simple global optimisation algorithm inspired by Pareto's principle. This algorithm samples most of its solutions within prominent search domains and is equipped with a self-adaptive mechanism to control the…

Optimization and Control · Mathematics 2021-03-30 Mahmoud Shaqfa , Katrin Beyer

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Symmetry is the essential element of lifted inference that has recently demon- strated the possibility to perform very efficient inference in highly-connected, but symmetric probabilistic models models. This raises the question, whether…

Artificial Intelligence · Computer Science 2016-06-15 Martin Mladenov , Leonard Kleinhans , Kristian Kersting

Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient…

Machine Learning · Computer Science 2022-10-20 Samuel Daulton , Xingchen Wan , David Eriksson , Maximilian Balandat , Michael A. Osborne , Eytan Bakshy

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

The Bayesian paradigm offers principled tools for sequential decision-making under uncertainty, but its reliance on a probabilistic model for all parameters can hinder the incorporation of complex structural constraints. We introduce a…

Machine Learning · Computer Science 2025-10-09 Kaizheng Wang

The exponential expansion of context windows in LLMs has unlocked capabilities for long-document understanding but introduced severe bottlenecks in inference latency and information utilization. Existing compression methods often suffer…

Computation and Language · Computer Science 2026-03-23 Zhengpei Hu , Kai Li , Dapeng Fu , Chang Zeng , Yue Li , Yuanhao Tang , Jianqiang Huang

Selecting an optimal set of exemplars is critical for good performance of in-context learning. However, prior exemplar search methods narrowly optimize for predictive accuracy, critically neglecting model calibration--a key determinant of…

Machine Learning · Computer Science 2025-10-02 Gaoxiang Luo , Aryan Deshwal

Bayesian Optimization (BO) is a powerful tool for black-box optimization, but its application to high-dimensional permutation spaces is severely limited by the challenge of defining scalable representations. The current state-of-the-art BO…

Machine Learning · Computer Science 2025-09-26 Zikai Xie , Linjiang Chen

Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty…

Artificial Intelligence · Computer Science 2022-02-28 J. Qing , I. Couckuyt , T. Dhaene

Recent advancements in quantum computing and quantum-inspired algorithms have sparked renewed interest in binary optimization. These hardware and software innovations promise to revolutionize solution times for complex problems. In this…

Binary optimization is a powerful tool for modeling combinatorial problems, yet scalable and theoretically sound solution methods remain elusive. Conventional solvers often rely on heuristic strategies with weak guarantees or struggle with…

Optimization and Control · Mathematics 2026-05-12 Wenbo Liu , Akang Wang , Dun Ma , Hongyi Jiang , Jianghua Wu , Wenguo Yang

We propose a novel non-negative spherical relaxation for optimization problems over binary matrices with injectivity constraints, which in particular has applications in multi-matching and clustering. We relax respective binary matrix…

Machine Learning · Statistics 2023-10-23 Johan Thunberg , Florian Bernard

In this thesis, I explore the possibilities of conducting Bayesian optimization techniques in high dimensional domains. Although high dimensional domains can be defined to be between hundreds and thousands of dimensions, we will primarily…

Machine Learning · Computer Science 2020-10-09 David Yenicelik

Bayesian optimization is a popular method for solving the problem of global optimization of an expensive-to-evaluate black-box function. It relies on a probabilistic surrogate model of the objective function, upon which an acquisition…

Machine Learning · Statistics 2022-06-22 Jungtaek Kim , Seungjin Choi , Minsu Cho