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In this work, we present a trust-region optimization framework that employs Hermite kernel surrogate models. The method targets optimization problems with computationally demanding objective functions, for which direct optimization is often…

数值分析 · 数学 2025-07-03 Sven Ullmann , Tobias Ehring , Robin Herkert , Bernard Haasdonk

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

机器学习 · 计算机科学 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate…

机器学习 · 计算机科学 2025-05-14 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

Bayesian optimization has been shown to be a powerful tool for solving black box problems during online accelerator optimization. The major advantage of Bayesian based optimization techniques is the ability to include prior information…

加速器物理 · 物理学 2022-11-17 Connie Xu , Ryan Roussel , Auralee Edelen

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,…

机器学习 · 统计学 2026-05-26 Alexander Shen , Mikael Kuusela

Solving for adversarial examples with projected gradient descent has been demonstrated to be highly effective in fooling the neural network based classifiers. However, in the black-box setting, the attacker is limited only to the query…

机器学习 · 计算机科学 2022-10-19 Seungyong Moon , Gaon An , Hyun Oh Song

We consider computationally expensive blackbox optimization problems and present a method that employs surrogate models and concurrent computing at the search step of the mesh adaptive direct search (MADS) algorithm. Specifically, we solve…

最优化与控制 · 数学 2021-07-28 Bastien Talgorn , Stéphane Alarie , Michael Kokkolaras

Gradient-free optimization methods, such as surrogate based optimization (SBO) methods, and genetic (GAs), or evolutionary (EAs) algorithms have gained popularity in the field of constrained optimization of expensive black-box functions.…

最优化与控制 · 数学 2021-07-22 Ahmed Abouhussein , Nusrat Islam , Yulia T. Peet

The Area Under the Curve (AUC) is an important performance metric for classification tasks, particularly in class-imbalanced scenarios. However, minimizing the AUC presents significant challenges due to the non-convex and discontinuous…

机器学习 · 计算机科学 2025-10-27 JunRu Luo , Difei Cheng , Bo Zhang

The probabilistic surrogates used by Bayesian optimizers make them popular methods when function evaluations are noisy or expensive to evaluate. While Bayesian optimizers are traditionally used for global optimization, their benefits are…

最优化与控制 · 数学 2026-05-14 André L. Marchildon , David W. Zingg

Surrogate models play a crucial role in retrospectively interpreting complex and powerful black box machine learning models via model distillation. This paper focuses on using model-based trees as surrogate models which partition the…

机器学习 · 统计学 2023-10-06 Julia Herbinger , Susanne Dandl , Fiona K. Ewald , Sofia Loibl , Giuseppe Casalicchio

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control…

最优化与控制 · 数学 2023-12-25 Philipp A. Guth , Claudia Schillings , Simon Weissmann

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…

最优化与控制 · 数学 2022-03-23 Yansong Li , Shuo Han

We study a family of algorithms, which we refer to as local update methods, that generalize many federated learning and meta-learning algorithms. We prove that for quadratic objectives, local update methods perform stochastic gradient…

机器学习 · 计算机科学 2020-07-03 Zachary Charles , Jakub Konečný

Surrogate modeling has become a valuable technique for black-box optimization tasks with expensive evaluation of the objective function. In this paper, we investigate the relationship between the predictive accuracy of surrogate models and…

神经与进化计算 · 计算机科学 2022-10-04 Zbyněk Pitra , Jan Koza , Jiří Tumpach , Martin Holeňa

Modern generative AI models, such as diffusion and flow matching models, can sample from rich data distributions. However, many applications, especially in science and engineering, require more than drawing samples from the model…

Bayesian optimization (BO) is a popular method to optimize costly black-box functions. While traditional BO optimizes each new target task from scratch, meta-learning has emerged as a way to leverage knowledge from related tasks to optimize…

机器学习 · 计算机科学 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

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…

Federated optimization, an emerging paradigm which finds wide real-world applications such as federated learning, enables multiple clients (e.g., edge devices) to collaboratively optimize a global function. The clients do not share their…

机器学习 · 计算机科学 2023-08-09 Yao Shu , Xiaoqiang Lin , Zhongxiang Dai , Bryan Kian Hsiang Low

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

机器学习 · 计算机科学 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson