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Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

In machine learning algorithm design, there exists a trade-off between the interpretability and performance of the algorithm. In general, algorithms which are simpler and easier for humans to comprehend tend to show worse performance than…

Machine Learning · Computer Science 2024-07-15 Eric M. Vernon , Naoki Masuyama , Yusuke Nojima

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

Ensuring trustworthiness in open-world visual recognition requires models that are interpretable, fair, and robust to distribution shifts. Yet modern vision systems are increasingly deployed as proprietary black-box APIs, exposing only…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Simone Carnemolla , Chiara Russo , Simone Palazzo , Quentin Bouniot , Daniela Giordano , Zeynep Akata , Matteo Pennisi , Concetto Spampinato

Simulation-based optimal design techniques are a convenient tool for solving a particular class of optimal design problems. The goal is to find the optimal configuration of factor settings with respect to an expected utility criterion. This…

Methodology · Statistics 2013-05-21 Markus Hainy , Werner G. Müller , Helga Wagner

Optimization of real-world black-box functions defined over purely categorical variables is an active area of research. In particular, optimization and design of biological sequences with specific functional or structural properties have a…

Machine Learning · Computer Science 2022-02-25 Hamid Dadkhahi , Jesus Rios , Karthikeyan Shanmugam , Payel Das

Accurate simulation of complex physical systems enables the development, testing, and certification of control strategies before they are deployed into the real systems. As simulators become more advanced, the analytical tractability of the…

Robotics · Computer Science 2020-05-27 Lucas Barcelos , Rafael Oliveira , Rafael Possas , Lionel Ott , Fabio Ramos

Bayesian inference is a principled framework for dealing with uncertainty. The practitioner can perform an initial assumption for the physical phenomenon they want to model (prior belief), collect some data and then adjust the initial…

Machine Learning · Computer Science 2020-11-10 Vasileios Gkolemis , Michael Gutmann

In a sequential auction with multiple bidding agents, it is highly challenging to determine the ordering of the items to sell in order to maximize the revenue due to the fact that the autonomy and private information of the agents heavily…

Artificial Intelligence · Computer Science 2018-10-16 Sicco Verwer , Yingqian Zhang , Qing Chuan Ye

Meta-Black-Box Optimization (MetaBBO) garners attention due to its success in automating the configuration and generation of black-box optimizers, significantly reducing the human effort required for optimizer design and discovering…

Machine Learning · Computer Science 2025-05-20 Jiyuan Pei , Yi Mei , Jialin Liu , Mengjie Zhang

Simulation models, in particular agent-based models, are gaining popularity in economics. The considerable flexibility they offer, as well as their capacity to reproduce a variety of empirically observed behaviours of complex systems, give…

Econometrics · Economics 2024-02-20 Joel Dyer , Patrick Cannon , J. Doyne Farmer , Sebastian Schmon

Probabilistic numerics casts numerical tasks, such the numerical solution of differential equations, as inference problems to be solved. One approach is to model the unknown quantity of interest as a random variable, and to constrain this…

Numerical Analysis · Mathematics 2021-10-29 Onur Teymur , Christopher N. Foley , Philip G. Breen , Toni Karvonen , Chris. J. Oates

Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

Machine Learning · Computer Science 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 Can Chen , Yingxue Zhang , Xue Liu , Mark Coates

Black box models in machine learning have demonstrated excellent predictive performance in complex problems and high-dimensional settings. However, their lack of transparency and interpretability restrict the applicability of such models in…

Machine Learning · Computer Science 2020-06-09 Numair Sani , Jaron Lee , Razieh Nabi , Ilya Shpitser

Access to modern generative systems is often restricted to querying an API (the ``black-box" setting) and many properties of the system are unknown to the user at inference time. While recent work has shown that low-dimensional…

Machine Learning · Computer Science 2026-05-11 Hayden Helm , Merrick Ohata , Carey Priebe

There is a long history in machine learning of model ensembling, beginning with boosting and bagging and continuing to the present day. Much of this history has focused on combining models for classification and regression, but recently…

Machine Learning · Computer Science 2024-05-28 Ira Globus-Harris , Varun Gupta , Michael Kearns , Aaron Roth

Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…

Materials Science · Physics 2021-08-03 Lars Kotthoff , Hud Wahab , Patrick Johnson

Black-box and preference-based optimization algorithms are global optimization procedures that aim to find the global solutions of an optimization problem using, respectively, the least amount of function evaluations or sample comparisons…

Optimization and Control · Mathematics 2022-02-04 Davide Previtali , Mirko Mazzoleni , Antonio Ferramosca , Fabio Previdi

Bayesian optimization is an effective method for finding extrema of a black-box function. We propose a new type of Bayesian optimization for learning user preferences in high-dimensional spaces. The central assumption is that the underlying…

Machine Learning · Statistics 2020-08-17 Petrus Mikkola , Milica Todorović , Jari Järvi , Patrick Rinke , Samuel Kaski