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Despite the success statistical physics has enjoyed at predicting the properties of materials for given parameters, the inverse problem, identifying which material parameters produce given, desired properties, is only beginning to be…

Statistical Mechanics · Physics 2016-02-17 Marc Z. Miskin , Gurdaman S. Khaira , Juan J. de Pablo , Heinrich M. Jaeger

Local optimization presents a promising approach to expensive, high-dimensional black-box optimization by sidestepping the need to globally explore the search space. For objective functions whose gradient cannot be evaluated directly,…

Machine Learning · Computer Science 2023-01-18 Quan Nguyen , Kaiwen Wu , Jacob R. Gardner , Roman Garnett

We propose a new framework for black-box convex optimization which is well-suited for situations where gradient computations are expensive. We derive a new method for this framework which leverages several concepts from convex optimization,…

Optimization and Control · Mathematics 2016-02-17 Sébastien Bubeck , Yin-Tat Lee

Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has…

Machine Learning · Computer Science 2024-05-10 Yassine Chemingui , Aryan Deshwal , Trong Nghia Hoang , Janardhan Rao Doppa

Given the limitations of backpropagation, perturbation-based gradient computation methods have recently gained focus for learning with only forward passes, also referred to as queries. Conventional forward learning consumes enormous queries…

Machine Learning · Computer Science 2025-03-11 Tao Ren , Zishi Zhang , Jinyang Jiang , Guanghao Li , Zeliang Zhang , Mingqian Feng , Yijie Peng

Population-based evolutionary algorithms are often considered when approaching computationally expensive black-box optimization problems. They employ a selection mechanism to choose the best solutions from a given population after comparing…

Neural and Evolutionary Computing · Computer Science 2024-01-30 Judith Echevarrieta , Etor Arza , Aritz Pérez

Black-box simulators are widely used in robotics, but optimizing their parameters remains challenging due to inaccessible likelihoods. Simulation-Based Inference (SBI) tackles this issue using simulation-driven approaches, estimating the…

Robotics · Computer Science 2025-10-20 Gahee Kim , Takamitsu Matsubara

Black-box optimization is increasingly used in engineering design problems where simulation-based evaluations are costly and gradients are unavailable. In this context, the optimization community has largely analyzed algorithm performance…

Neural and Evolutionary Computing · Computer Science 2026-02-06 Iván Olarte Rodríguez , Gokhan Serhat , Mariusz Bujny , Fabian Duddeck , Thomas Bäck , Elena Raponi

We consider Bayesian optimization of an expensive-to-evaluate black-box objective function, where we also have access to cheaper approximations of the objective. In general, such approximations arise in applications such as reinforcement…

Machine Learning · Statistics 2016-11-16 Matthias Poloczek , Jialei Wang , Peter I. Frazier

We develop an algorithm that combines model-based and model-free methods for solving a nonlinear optimal control problem with a quadratic cost in which the system model is given by a linear state-space model with a small additive nonlinear…

Optimization and Control · Mathematics 2022-03-23 Yansong Li , Shuo Han

We derive an optimal policy for adaptively restarting a randomized algorithm, based on observed features of the run-so-far, so as to minimize the expected time required for the algorithm to successfully terminate. Given a suitable Bayesian…

Machine Learning · Computer Science 2019-02-25 Matthew Streeter

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

Optimization and Control · Mathematics 2021-06-14 L. Jeff Hong , Xiaowei Zhang

This paper proposes a simulation-based reinforcement learning algorithm for controlling systems with uncertain and varying system parameters. While simulators are useful for safely learning control policies, the reality gap remains a major…

Systems and Control · Electrical Eng. & Systems 2026-05-14 Junya Ikemoto

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

For safety-critical black-box optimization tasks, observations of the constraints and the objective are often noisy and available only for the feasible points. We propose an approach based on log barriers to find a local solution of a…

Optimization and Control · Mathematics 2021-02-25 Ilnura Usmanova , Andreas Krause , Maryam Kamgarpour

Gradient-based optimization is the foundation of deep learning and reinforcement learning. Even when the mechanism being optimized is unknown or not differentiable, optimization using high-variance or biased gradient estimates is still…

Machine Learning · Computer Science 2018-02-27 Will Grathwohl , Dami Choi , Yuhuai Wu , Geoffrey Roeder , David Duvenaud

The use of blackbox solvers inside neural networks is a relatively new area which aims to improve neural network performance by including proven, efficient solvers for complex problems. Existing work has created methods for learning…

Machine Learning · Computer Science 2020-06-09 T. J. Wilder

Differentiable simulators promise faster computation time for reinforcement learning by replacing zeroth-order gradient estimates of a stochastic objective with an estimate based on first-order gradients. However, it is yet unclear what…

Machine Learning · Computer Science 2022-08-23 H. J. Terry Suh , Max Simchowitz , Kaiqing Zhang , Russ Tedrake

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

As the complexity of control systems increases, the need for systematic methods to guarantee their efficacy grows as well. However, direct testing of these systems is oftentimes costly, difficult, or impractical. As a result, the test and…

Systems and Control · Electrical Eng. & Systems 2021-09-10 Prithvi Akella , Ugo Rosolia , Aaron D. Ames