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Surrogate model can replace the parametric full-order model (FOM) by an approximation model, which can significantly improve the efficiency of optimization design and reduce the complexity of engineering systems. However, due to limitations…

Fluid Dynamics · Physics 2025-03-18 Xu Wang , Ruiqi Huang , Jiaqing Kou , Hui Tang , Weiwei Zhang

Offline design optimization problem arises in numerous science and engineering applications including material and chemical design, where expensive online experimentation necessitates the use of in silico surrogate functions to predict and…

Machine Learning · Computer Science 2025-03-05 Minh Hoang , Azza Fadhel , Aryan Deshwal , Janardhan Rao Doppa , Trong Nghia Hoang

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…

This paper addresses the study of derivative-free smooth optimization problems, where the gradient information on the objective function is unavailable. Two novel general derivative-free methods are proposed and developed for minimizing…

Optimization and Control · Mathematics 2023-11-29 Pham Duy Khanh , Boris S. Mordukhovich , Dat Ba Tran

Hyperparameter optimization (HPO) is generally treated as a bi-level optimization problem that involves fitting a (probabilistic) surrogate model to a set of observed hyperparameter responses, e.g. validation loss, and consequently…

Machine Learning · Computer Science 2021-10-18 Hadi S. Jomaa , Jonas Falkner , Lars Schmidt-Thieme

Derivative-free optimization problems are optimization problems where derivative information is unavailable. The least Frobenius norm updating quadratic interpolation model function is one of the essential under-determined model functions…

Optimization and Control · Mathematics 2023-11-21 Pengcheng Xie , Ya-xiang Yuan

We introduce a global, gradient-free surrogate optimization strategy for expensive black-box functions inspired by the Fokker-Planck and Langevin equations. These can be written as an optimization problem where the objective is the target…

Machine Learning · Computer Science 2023-10-03 James M. Sullivan , Uros Seljak

In this paper we consider bound-constrained mixed-integer optimization problems where the objective function is differentiable w.r.t.\ the continuous variables for every configuration of the integer variables. We mainly suggest to exploit…

Optimization and Control · Mathematics 2026-01-19 Matteo Lapucci , Giampaolo Liuzzi , Stefano Lucidi , Pierluigi Mansueto

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

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

We present DFO-GN, a derivative-free version of the Gauss-Newton method for solving nonlinear least-squares problems. As is common in derivative-free optimization, DFO-GN uses interpolation of function values to build a model of the…

Optimization and Control · Mathematics 2017-10-31 Coralia Cartis , Lindon Roberts

Carefully designed activation functions can improve the performance of neural networks in many machine learning tasks. However, it is difficult for humans to construct optimal activation functions, and current activation function search…

Machine Learning · Computer Science 2023-11-10 Garrett Bingham , Risto Miikkulainen

Many real-world optimization problems contain parameters that are unknown before deployment time, either due to stochasticity or to lack of information (e.g., demand or travel times in delivery problems). A common strategy in such cases is…

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target…

Machine Learning · Computer Science 2025-03-07 Manh Cuong Dao , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

A novel class of derivative-free optimization algorithms is developed. The main idea is to utilize certain non-commutative maps in order to approximate the gradient of the objective function. Convergence properties of the novel algorithms…

Optimization and Control · Mathematics 2018-05-21 Jan Feiling , Amelie Zeller , Christian Ebenbauer

The central task in modeling complex dynamical systems is parameter estimation. This task involves numerous evaluations of a computationally expensive objective function. Surrogate-based optimization introduces a computationally efficient…

Machine Learning · Computer Science 2019-12-19 Žiga Lukšič , Jovan Tanevski , Sašo Džeroski , Ljupčo Todorovski

Mathematical optimization is a fundamental tool for decision-making in a wide range of applications. However, in many real-world scenarios, the parameters of the optimization problem are not known a priori and must be predicted from…

Machine Learning · Computer Science 2025-11-13 Senne Berden , Ali İrfan Mahmutoğulları , Dimos Tsouros , Tias Guns

Interest in derivative-free optimization (DFO) and "evolutionary strategies" (ES) has recently surged in the Reinforcement Learning (RL) community, with growing evidence that they can match state of the art methods for policy optimization…

In this paper, we consider derivative free optimization problems, where the objective function is smooth but is computed with some amount of noise, the function evaluations are expensive and no derivative information is available. We are…

Optimization and Control · Mathematics 2019-06-05 Albert S Berahas , Liyuan Cao , Krzysztof Choromanski , Katya Scheinberg

Recent works in learning-integrated optimization have shown promise in settings where the optimization problem is only partially observed or where general-purpose optimizers perform poorly without expert tuning. By learning an optimizer…

Machine Learning · Computer Science 2023-11-06 Arman Zharmagambetov , Brandon Amos , Aaron Ferber , Taoan Huang , Bistra Dilkina , Yuandong Tian