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The optimal power flow (OPF) problem can be rapidly and reliably solved by employing responsive online solvers based on neural networks. The dynamic nature of renewable energy generation and the variability of power grid conditions…

Systems and Control · Electrical Eng. & Systems 2025-02-25 Kejun Chen , Shourya Bose , Yu Zhang

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems…

Machine Learning · Computer Science 2024-06-07 Ke Xue , Rong-Xi Tan , Xiaobin Huang , Chao Qian

Electronic computers have evolved drastically over the past years with an ever-growing demand for improved performance. However, the transfer of information from memory and high energy consumption have emerged as issues that require…

Bayesian optimization (BO) struggles in high dimensions, where Gaussian-process surrogates demand heavy retraining and brittle assumptions, slowing progress on real engineering and design problems. We introduce GIT-BO, a Gradient-Informed…

Computational Engineering, Finance, and Science · Computer Science 2026-03-06 Rosen Ting-Ying Yu , Cyril Picard , Faez Ahmed

Derivative-free optimization (DFO) is vital in solving complex optimization problems where only noisy function evaluations are available through an oracle. Within this domain, DFO via finite difference (FD) approximation has emerged as a…

Machine Learning · Computer Science 2025-02-19 Wang Du-Yi , Liang Guo , Liu Guangwu , Zhang Kun

Gradient Descent (GD) is a ubiquitous algorithm for finding the optimal solution to an optimization problem. For reduced computational complexity, the optimal solution $\mathrm{x^*}$ of the optimization problem must be attained in a minimum…

Optimization and Control · Mathematics 2023-06-01 Revati Gunjal , Sushama Wagh , Syed Shadab Nayyer , Alex Stankovic , Navdeep M. Singh

This paper presents the first algorithm for model-based offline quantum reinforcement learning and demonstrates its functionality on the cart-pole benchmark. The model and the policy to be optimized are each implemented as variational…

Quantum Physics · Physics 2025-02-06 Simon Eisenmann , Daniel Hein , Steffen Udluft , Thomas A. Runkler

Optical computing offers ultrafast, energy-efficient alternatives to conventional digital processors, yet most implementations remain confined to single-channel processing, severely underutilizing light's information capacity. Here we…

Optics · Physics 2026-01-13 Fatma Nur Kılınç , Uğur Teğin

The field of derivative-free optimization (DFO) studies algorithms for nonlinear optimization that do not rely on the availability of gradient or Hessian information. It is primarily designed for settings when functions are black-box,…

Optimization and Control · Mathematics 2025-10-07 Lindon Roberts

Offline black-box optimization aims to maximize a black-box function using an offline dataset of designs and their measured properties. Two main approaches have emerged: the forward approach, which learns a mapping from input to its value,…

Machine Learning · Computer Science 2025-01-03 Can Sam Chen , Christopher Beckham , Zixuan Liu , Xue Liu , Christopher Pal

Derivative-free optimization (DFO) is the mathematical study of the optimization algorithms that do not use derivatives. One branch of DFO focuses on model-based DFO methods, where an approximation of the objective function is used to guide…

Numerical Analysis · Mathematics 2016-12-16 Warren Hare

Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good…

Machine Learning · Computer Science 2026-03-05 Shen-Huan Lyu , Rong-Xi Tan , Ke Xue , Yi-Xiao He , Yu Huang , Qingfu Zhang , Chao Qian

Deformable image registration is inherently a multi-objective optimization (MOO) problem, requiring a delicate balance between image similarity and deformation regularity. These conflicting objectives often lead to poor optimization…

Computer Vision and Pattern Recognition · Computer Science 2024-10-24 Yi Zhang , Yidong Zhao , Qian Tao

In this work, we focus on the study of stochastic zeroth-order (ZO) optimization which does not require first-order gradient information and uses only function evaluations. The problem of ZO optimization has emerged in many recent machine…

Machine Learning · Statistics 2020-12-22 Pranay Sharma , Kaidi Xu , Sijia Liu , Pin-Yu Chen , Xue Lin , Pramod K. Varshney

Derivative-free optimization algorithms are particularly useful for tackling blackbox optimization problems where the objective function arises from complex and expensive procedures that preclude the use of classical gradient-based methods.…

Optimization and Control · Mathematics 2026-03-31 El Houcine Bergou , Youssef Diouane , Vyacheslav Kungurtsev , Clément W. Royer

First Order Bayesian Optimization (FOBO) is a sample efficient sequential approach to find the global maxima of an expensive-to-evaluate black-box objective function by suitably querying for the function and its gradient evaluations. Such…

Machine Learning · Computer Science 2023-06-21 Utkarsh Prakash , Aryan Chollera , Kushagra Khatwani , Prabuchandran K. J. , Tejas Bodas

In this paper, we study the Multi-Objective Bi-Level Optimization (MOBLO) problem, where the upper-level subproblem is a multi-objective optimization problem and the lower-level subproblem is for scalar optimization. Existing gradient-based…

Machine Learning · Computer Science 2024-07-11 Feiyang Ye , Baijiong Lin , Xiaofeng Cao , Yu Zhang , Ivor Tsang

Derivative-Free optimization (DFO) focuses on designing methods to solve optimization problems without the analytical knowledge of gradients of the objective function. There are two main families of DFO methods: model-based methods and…

Optimization and Control · Mathematics 2015-11-10 W. Hare , M. Jaberipour

We introduce GO-Diff, a diffusion-based method for global structure optimization that learns to directly sample low-energy atomic configurations without requiring prior data or explicit relaxation. GO-Diff is trained from scratch using a…

Computational Physics · Physics 2025-10-16 Nikolaj Rønne , Tejs Vegge , Arghya Bhowmik