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When solving global optimization problems in practice, one often ends up repeatedly solving problems that are similar to each others. By providing a rigorous definition of similarity, in this work we propose to incorporate the META-learning…

Optimization and Control · Mathematics 2023-05-02 Riccardo Busetto , Valentina Breschi , Simone Formentin

Real-world applications involve various discrete optimization problems. Designing a specialized optimizer for each of these problems is challenging, typically requiring significant domain knowledge and human efforts. Hence, developing…

Neural and Evolutionary Computing · Computer Science 2024-05-30 Shengcai Liu , Zhiyuan Wang , Yew-Soon Ong , Xin Yao , Ke Tang

Machine Learning algorithms have been extensively researched throughout the last decade, leading to unprecedented advances in a broad range of applications, such as image classification and reconstruction, object recognition, and text…

Artificial Intelligence · Computer Science 2022-12-20 Gustavo H. de Rosa , Mateus Roder , João Paulo Papa , Claudio F. G. dos Santos

We address the challenge of optimizing meta-parameters (hyperparameters) in machine learning, a key factor for efficient training and high model performance. Rather than relying on expensive meta-parameter search methods, we introduce…

Machine Learning · Computer Science 2025-07-10 Arsalan Sharifnassab , Saber Salehkaleybar , Richard Sutton

Constraint handling plays a key role in solving realistic complex optimization problems. Though intensively discussed in the last few decades, existing constraint handling techniques predominantly rely on human experts' designs, which more…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Qianhao Zhu , Sijie Ma , Zeyuan Ma , Hongshu Guo , Yue-Jiao Gong

Here, we present two complementary approaches that advance quadratic unconstrained binary optimization (QUBO) toward practical use in data-driven materials design and other real-valued black-box optimization tasks. First, we introduce a…

Materials Science · Physics 2025-12-15 Thomas Plehn , Daniel Barragan-Yani , Eric Breitbarth , Guillermo Requena , David Melching

The rapid emergence of Large Language Models (LLMs) has precipitated a profound paradigm shift in Artificial Intelligence, delivering monumental engineering successes that increasingly impact modern society. However, a critical paradox…

Computation and Language · Computer Science 2026-03-13 Zeyu Gan , Ruifeng Ren , Wei Yao , Xiaolin Hu , Gengze Xu , Chen Qian , Huayi Tang , Zixuan Gong , Xinhao Yao , Pengwei Tang , Zhenxing Dou , Yong Liu

The performance of many algorithms in the fields of hard combinatorial problem solving, machine learning or AI in general depends on tuned hyperparameter configurations. Automated methods have been proposed to alleviate users from the…

Machine Learning · Computer Science 2019-08-23 André Biedenkapp , H. Furkan Bozkurt , Frank Hutter , Marius Lindauer

The problem of selecting an algorithm that appears most suitable for a specific instance of an algorithmic problem class, such as the Boolean satisfiability problem, is called instance-specific algorithm selection. Over the past decade, the…

Machine Learning · Computer Science 2021-07-21 Alexander Tornede , Lukas Gehring , Tanja Tornede , Marcel Wever , Eyke Hüllermeier

In the post-Moore era, main performance gains of black-box optimizers are increasingly depending on parallelism, especially for large-scale optimization (LSO). Here we propose to parallelize the well-established covariance matrix adaptation…

Neural and Evolutionary Computing · Computer Science 2024-10-14 Qiqi Duan , Chang Shao , Guochen Zhou , Minghan Zhang , Qi Zhao , Yuhui Shi

Black-box optimization is a powerful approach for discovering global optima in noisy and expensive black-box functions, a problem widely encountered in real-world scenarios. Recently, there has been a growing interest in leveraging domain…

Machine Learning · Computer Science 2024-02-06 Dat Phan-Trong , Hung The Tran , Alistair Shilton , Sunil Gupta

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this…

Machine Learning · Computer Science 2020-03-13 Tong Yu , Hong Zhu

Bayesian optimization (BO) is a powerful black-box optimization framework that looks to efficiently learn the global optimum of an unknown system by systematically trading-off between exploration and exploitation. However, the use of BO as…

Optimization and Control · Mathematics 2023-03-28 Dinesh Krishnamoorthy , Joel A. Paulson

Many key challenges in biological design -- such as small-molecule drug discovery, antimicrobial peptide development, and protein engineering -- can be framed as black-box optimization over vast, complex structured spaces. Existing methods…

In robotics, methods and softwares usually require optimizations of hyperparameters in order to be efficient for specific tasks, for instance industrial bin-picking from homogeneous heaps of different objects. We present a developmental…

Robotics · Computer Science 2020-07-31 Maxime Petit , Emmanuel Dellandrea , Liming Chen

We consider black-box optimization in which only an extremely limited number of function evaluations, on the order of around 100, are affordable and the function evaluations must be performed in even fewer batches of a limited number of…

Machine Learning · Computer Science 2021-03-19 Carlos Ansotegui , Meinolf Sellmann , Tapan Shah , Kevin Tierney

Scientific research metadata is vital to ensure the validity, reusability, and cost-effectiveness of research efforts. The MEDFORD metadata language was previously introduced to simplify the process of writing and maintaining metadata for…

Machine learning (ML) techniques have been proposed to automatically select the best solver from a portfolio of solvers, based on predicted performance. These techniques have been applied to various problems, such as Boolean Satisfiability,…

Artificial Intelligence · Computer Science 2023-09-11 Catalina Pezo , Dorit Hochbaum , Julio Godoy , Roberto Asin-Acha

Automl is the key technology for machine learning problem. Current state of art hyperparameter optimization methods are based on traditional black-box optimization methods like SMBO (SMAC, TPE). The objective function of black-box…

Machine Learning · Computer Science 2019-07-19 Cheng Daning , Zhang Hanping , Xia Fen , Li Shigang , Zhang Yunquan

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu