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Modern deep learning tools are remarkably effective in addressing intricate problems. However, their operation as black-box models introduces increased uncertainty in predictions. Additionally, they contend with various challenges,…

Machine Learning · Computer Science 2024-04-09 Sourav Ganguly , Saprativa Bhattacharjee

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in…

The optimization of expensive-to-evaluate black-box functions over combinatorial structures is an ubiquitous task in machine learning, engineering and the natural sciences. The combinatorial explosion of the search space and costly…

Machine Learning · Statistics 2018-10-11 Ricardo Baptista , Matthias Poloczek

Path planning, the problem of efficiently discovering high-reward trajectories, often requires optimizing a high-dimensional and multimodal reward function. Popular approaches like CEM and CMA-ES greedily focus on promising regions of the…

Artificial Intelligence · Computer Science 2022-01-25 Kevin Yang , Tianjun Zhang , Chris Cummins , Brandon Cui , Benoit Steiner , Linnan Wang , Joseph E. Gonzalez , Dan Klein , Yuandong Tian

Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a…

Machine Learning · Computer Science 2024-12-11 Shukuan Wang , Ke Xue , Lei Song , Xiaobin Huang , Chao Qian

We consider the problem of optimizing a grey-box objective function, i.e., nested function composed of both black-box and white-box functions. A general formulation for such grey-box problems is given, which covers the existing grey-box…

Machine Learning · Computer Science 2023-08-03 Wenjie Xu , Yuning Jiang , Bratislav Svetozarevic , Colin N. Jones

We propose a novel Bayesian Optimization approach for black-box functions with an environmental variable whose value determines the tradeoff between evaluation cost and the fidelity of the evaluations. Further, we use a novel approach to…

Machine Learning · Statistics 2018-05-16 Mark McLeod , Michael A. Osborne , Stephen J. Roberts

Discrete black-box optimization problems are challenging for model-based optimization (MBO) algorithms, such as Bayesian optimization, due to the size of the search space and the need to satisfy combinatorial constraints. In particular,…

Optimization and Control · Mathematics 2022-06-15 Theodore Papalexopoulos , Christian Tjandraatmadja , Ross Anderson , Juan Pablo Vielma , David Belanger

This paper explores a novel approach aimed at overcoming existing challenges in the realm of local search algorithms. Our aim is to improve the decision process that takes place within a local search algorithm so as to make the best…

Neural and Evolutionary Computing · Computer Science 2025-03-13 Mohamed Salim Amri Sakhri , Adrien Goëffon , Olivier Goudet , Frédéric Saubion , Chaïmaâ Touhami

Black-box optimization is often encountered for decision-making in complex systems management, where the knowledge of system is limited. Under these circumstances, it is essential to balance the utilization of new information with…

Computation · Statistics 2025-01-15 Teng Lian , Jian-Qiang Hu , Yuhang Wu , Zeyu Zheng

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

Chip placement is a vital stage in modern chip design as it has a substantial impact on the subsequent processes and the overall quality of the final chip. The use of black-box optimization (BBO) for chip placement has a history of several…

Machine Learning · Computer Science 2025-10-28 Ke Xue , Ruo-Tong Chen , Rong-Xi Tan , Xi Lin , Yunqi Shi , Siyuan Xu , Mingxuan Yuan , Chao Qian

Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the…

Biomolecules · Quantitative Biology 2024-01-04 Farshud Sorourifar , Thomas Banker , Joel A. Paulson

Bayesian Optimization is a popular approach for optimizing expensive black-box functions. Its key idea is to use a surrogate model to approximate the objective and, importantly, quantify the associated uncertainty that allows a sequential…

Machine Learning · Statistics 2025-02-05 Haoxian Chen , Henry Lam

Existing studies in black-box optimization for machine learning suffer from low generalizability, caused by a typically selective choice of problem instances used for training and testing different optimization algorithms. Among other…

The Natural Language for Optimization (NL4Opt) Competition was created to investigate methods of extracting the meaning and formulation of an optimization problem based on its text description. Specifically, the goal of the competition is…

When applying machine learning to problems in NLP, there are many choices to make about how to represent input texts. These choices can have a big effect on performance, but they are often uninteresting to researchers or practitioners who…

Computation and Language · Computer Science 2015-03-03 Dani Yogatama , Noah A. Smith

Black-box optimization (BBO) can be used to optimize functions whose analytic form is unknown. A common approach to realising BBO is to learn a surrogate model which approximates the target black-box function which can then be solved via…

Machine Learning · Computer Science 2023-02-10 Jonas Nüßlein , Christoph Roch , Thomas Gabor , Jonas Stein , Claudia Linnhoff-Popien , Sebastian Feld

Bayesian optimisation is a popular method for efficient optimisation of expensive black-box functions. Traditionally, BO assumes that the search space is known. However, in many problems, this assumption does not hold. To this end, we…

Machine Learning · Statistics 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Huong Ha , Svetha Venkatesh

Black-box optimization (BBO) has become increasingly relevant for tackling complex decision-making problems, especially in public policy domains such as police redistricting. However, its broader application in public policymaking is…

Machine Learning · Statistics 2025-01-23 Wenqian Xing , JungHo Lee , Chong Liu , Shixiang Zhu