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Ensuring safety is a key aspect in sequential decision making problems, such as robotics or process control. The complexity of the underlying systems often makes finding the optimal decision challenging, especially when the safety-critical…

Machine Learning · Computer Science 2024-09-27 Jialin Li , Marta Zagorowska , Giulia De Pasquale , Alisa Rupenyan , John Lygeros

Bayesian optimization (BO) is widely used for black-box optimization problems, and have been shown to perform well in various real-world tasks. However, most of the existing BO methods aim to learn the optimal solution, which may become…

Machine Learning · Computer Science 2023-10-20 Xiaobin Song , Benben Jiang

Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…

Chemical Physics · Physics 2018-02-13 Joao Marcelo Lamim Ribeiro , Pablo Bravo Collado , Yihang Wang , Pratyush Tiwary

Many expensive black-box optimisation problems are sensitive to their inputs. In these problems it makes more sense to locate a region of good designs, than a single-possibly fragile-optimal design. Expensive black-box functions can be…

Machine Learning · Computer Science 2021-12-16 Nicholas D. Sanders , Richard M. Everson , Jonathan E. Fieldsend , Alma A. M. Rahat

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 introduce a variational quantum algorithm to solve unconstrained black box binary optimization problems, i.e., problems in which the objective function is given as black box. This is in contrast to the typical setting of quantum…

Optimization of slow-time transmit sequence endows cognitive radar with the ability to suppress strong clutter in the range-Doppler domain. However, in practice, inaccurate target velocity information or random phase error would induce…

Signal Processing · Electrical Eng. & Systems 2024-04-17 Xinyu Zhang , Weidong Jiang , Xiangfeng Qiu , Yongxiang Liu

Bayesian Optimization (BO) is a popular framework for optimizing black-box functions. Despite its effectiveness, BO is often inefficient for high-dimensional problems due to the exponential growth of the search space, heterogeneity of the…

Optimization and Control · Mathematics 2026-05-08 Sourav Das , Debjani Chakraborty , Pabitra Mitra

We propose a simple drop-in noise-tolerant replacement for the standard finite difference procedure used ubiquitously in blackbox optimization. In our approach, parameter perturbation directions are defined by a family of structured…

Robotics · Computer Science 2018-05-22 Krzysztof Choromanski , Atil Iscen , Vikas Sindhwani , Jie Tan , Erwin Coumans

Simulation optimization (SO) is frequently challenged by noisy evaluations, high computational costs, and complex, multimodal search landscapes. This paper introduces Tabu-Enhanced Simulation Optimization (TESO), a novel metaheuristic…

Neural and Evolutionary Computing · Computer Science 2026-01-01 Bulent Soykan , Sean Mondesire , Ghaith Rabadi

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

Bayesian Optimization is a sample-efficient black-box optimization procedure that is typically applied to problems with a small number of independent objectives. However, in practice we often wish to optimize objectives defined over many…

Machine Learning · Computer Science 2021-10-29 Wesley J. Maddox , Maximilian Balandat , Andrew Gordon Wilson , Eytan Bakshy

Two-stage stochastic optimization is a framework for modeling uncertainty, where we have a probability distribution over possible realizations of the data, called scenarios, and decisions are taken in two stages: we make first-stage…

Data Structures and Algorithms · Computer Science 2023-10-25 Andre Linhares , Chaitanya Swamy

Traffic simulation and digital-twin calibration is a challenging optimization problem with a limited simulation budget. Each trial requires an expensive simulation run, and the relationship between calibration inputs and model error is…

Machine Learning · Computer Science 2026-04-13 Abhilasha Saroj , Shaked Regev , Guanhao Xu , Jinghui Yuan , Roy Luo , Ross Wang

We developed a new method PROTES for black-box optimization, which is based on the probabilistic sampling from a probability density function given in the low-parametric tensor train format. We tested it on complex multidimensional arrays…

Numerical Analysis · Mathematics 2023-05-23 Anastasia Batsheva , Andrei Chertkov , Gleb Ryzhakov , Ivan Oseledets

Several scenarios require the optimization of non-convex black-box functions, that are noisy expensive to evaluate functions with unknown analytical expression, whose gradients are hence not accessible. For example, the hyper-parameter…

Machine Learning · Computer Science 2025-02-12 Eduardo C. Garrido-Merchán

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

When optimizing real-time systems, designers often face a challenging problem where the schedulability constraints are non-convex, non-continuous, or lack an analytical form to understand their properties. Although the optimization…

Systems and Control · Electrical Eng. & Systems 2024-01-23 Sen Wang , Dong Li , Shao-Yu Huang , Xuanliang Deng , Ashrarul H. Sifat , Changhee Jung , Ryan Williams , Haibo Zeng

Bayesian optimization is an effective method for optimizing expensive-to-evaluate black-box functions. High-dimensional problems are particularly challenging as the surrogate model of the objective suffers from the curse of dimensionality,…

Machine Learning · Computer Science 2023-10-06 Erik Orm Hellsten , Carl Hvarfner , Leonard Papenmeier , Luigi Nardi

Estimating the probability of failure is an important step in the certification of safety-critical systems. Efficient estimation methods are often needed due to the challenges posed by high-dimensional input spaces, risky test scenarios,…

Machine Learning · Computer Science 2024-07-02 Robert J. Moss , Mykel J. Kochenderfer , Maxime Gariel , Arthur Dubois