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For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods,…

Machine Learning · Statistics 2026-05-26 Alexander Shen , Mikael Kuusela

This paper studies the challenging black-box adversarial attack that aims to generate adversarial examples against a black-box model by only using output feedback of the model to input queries. Some previous methods improve the query…

Machine Learning · Computer Science 2024-05-30 Shuyu Cheng , Yibo Miao , Yinpeng Dong , Xiao Yang , Xiao-Shan Gao , Jun Zhu

Bayesian Optimization is the state of the art technique for the optimization of black boxes, i.e., functions where we do not have access to their analytical expression nor its gradients, they are expensive to evaluate and its evaluation is…

Artificial Intelligence · Computer Science 2021-01-13 Eduardo C. Garrido Merchán , Luis C. Jariego Pérez

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

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

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

Quantum Physics · Physics 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

Portfolio optimisation is a multi-objective optimisation problem (MOP), where an investor aims to optimise the conflicting criteria of maximising a portfolio's expected return whilst minimising its risk and other costs. However, selecting a…

Computational Engineering, Finance, and Science · Computer Science 2021-07-06 Terence van Zyl , Matthew Woolway , Andrew Paskaramoorthy

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

We present mlrMBO, a flexible and comprehensive R toolbox for model-based optimization (MBO), also known as Bayesian optimization, which addresses the problem of expensive black-box optimization by approximating the given objective function…

Machine Learning · Statistics 2018-12-04 Bernd Bischl , Jakob Richter , Jakob Bossek , Daniel Horn , Janek Thomas , Michel Lang

Variational quantum algorithms are a class of techniques intended to be used on near-term quantum computers. The goal of these algorithms is to perform large quantum computations by breaking the problem down into a large number of shallow…

Quantum Physics · Physics 2023-03-24 Ryan Shaffer , Lucas Kocia , Mohan Sarovar

Performing multi-objective Bayesian optimisation by scalarising the objectives avoids the computation of expensive multi-dimensional integral-based acquisition functions, instead of allowing one-dimensional standard acquisition…

Machine Learning · Computer Science 2021-04-13 Clym Stock-Williams , Tinkle Chugh , Alma Rahat , Wei Yu

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

We present a novel approach for constructing discrete optimization benchmarks that enables fine-grained control over problem properties, and such benchmarks can facilitate analyzing discrete algorithm behaviors. We build benchmark problems…

Neural and Evolutionary Computing · Computer Science 2026-04-09 Furong Ye , Frank Neumann , Thomas Bäck , Niki van Stein

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process…

Machine Learning · Computer Science 2024-06-07 Fabio Valerio Massoli , Tim Bakker , Thomas Hehn , Tribhuvanesh Orekondy , Arash Behboodi

To solve real-world expensive constrained multi-objective optimization problems (ECMOPs), surrogate/approximation models are commonly incorporated in evolutionary algorithms to pre-select promising candidate solutions for evaluation.…

Neural and Evolutionary Computing · Computer Science 2024-05-24 Kamrul Hasan Rahi

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…

Benchmark suites, i.e. a collection of benchmark functions, are widely used in the comparison of black-box optimization algorithms. Over the years, research has identified many desired qualities for benchmark suites, such as diverse…

Neural and Evolutionary Computing · Computer Science 2021-04-16 David Issa Mattos , Lucas Ruud , Jan Bosch , Helena Holmström Olsson

The global optimization of a high-dimensional black-box function under black-box constraints is a pervasive task in machine learning, control, and engineering. These problems are challenging since the feasible set is typically non-convex…

Machine Learning · Computer Science 2021-03-02 David Eriksson , Matthias Poloczek