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Global optimization of expensive functions has important applications in physical and computer experiments. It is a challenging problem to develop efficient optimization scheme, because each function evaluation can be costly and the…

Machine Learning · Statistics 2020-01-22 Ray-Bing Chen , Yuan Wang , C. F. Jeff Wu

Understanding structure-property relations is essential to optimally design materials for specific applications. Two-scale simulations are often employed to analyze the effect of the microstructure on a component's macroscopic properties.…

Computational Engineering, Finance, and Science · Computer Science 2022-10-25 Theron Guo , Francesco A. B. Silva , Ondřej Rokoš , Karen Veroy

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

This paper is concerned with the use of polynomial metamodels for the design of acoustical materials, considered as equivalent fluids. Polynomial series in microstructural parameters are considered, and allow us to approximate the…

Applied Physics · Physics 2018-01-01 Van Hai Trinh , Johann Guilleminot , Camille Perrot

AC optimal power flow (ACOPF) is foundational yet computationally expensive in power grid operations, driving learning-based surrogates for large-scale grid analysis. These surrogates, however, often fail to generalize across network…

Machine Learning · Computer Science 2026-05-05 Hongwei Jin , Keunju Song , Zeeshan Memon , Yijiang Li , Stefano Fenu , Hongseok Kim , Liang Zhao , Kibaek Kim

The surrogate matrix methodology delivers low-cost approximations of matrices (i.e., surrogate matrices) which are normally computed in Galerkin methods via element-scale quadrature formulas. In this paper, the methodology is applied to a…

Numerical Analysis · Mathematics 2020-09-14 Daniel Drzisga , Brendan Keith , Barbara Wohlmuth

Surrogate models of numerical relativity simulations of merging black holes provide the most accurate tools for gravitational-wave data analysis. Neural network-based surrogates promise evaluation speedups, but their accuracy relies on…

General Relativity and Quantum Cosmology · Physics 2025-05-21 Lucy M. Thomas , Katerina Chatziioannou , Vijay Varma , Scott E. Field

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Neural and Evolutionary Computing · Computer Science 2024-06-18 Hao Hao , Xiaoqun Zhang , Aimin Zhou

We carefully study how well minimizing convex surrogate loss functions, corresponds to minimizing the misclassification error rate for the problem of binary classification with linear predictors. In particular, we show that amongst all…

Machine Learning · Computer Science 2012-07-03 Shai Ben-David , David Loker , Nathan Srebro , Karthik Sridharan

Evolutionary algorithms often struggle to find well converged (e.g small inverted generational distance on test problems) solutions to multi-objective optimization problems on a limited budget of function evaluations (here, a few hundred).…

Neural and Evolutionary Computing · Computer Science 2025-04-30 Christopher M. Pierce , Young-Kee Kim , Ivan Bazarov

The optimization of algorithm (hyper-)parameters is crucial for achieving peak performance across a wide range of domains, ranging from deep neural networks to solvers for hard combinatorial problems. The resulting algorithm configuration…

Artificial Intelligence · Computer Science 2017-03-31 Katharina Eggensperger , Marius Lindauer , Holger H. Hoos , Frank Hutter , Kevin Leyton-Brown

Hyperparameter optimization is the process of identifying the appropriate hyperparameter configuration of a given machine learning model with regard to a given learning task. For smaller data sets, an exhaustive search is possible; However,…

Machine Learning · Computer Science 2022-09-30 Blaž Škrlj , Adi Schwartz , Jure Ferlež , Davorin Kopič , Naama Ziporin

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

High-fidelity numerical simulation of subsurface flow is computationally intensive, especially for many-query tasks such as uncertainty quantification and data assimilation. Deep learning (DL) surrogates can significantly accelerate forward…

Machine Learning · Computer Science 2026-04-15 Jiale Liu , Nanzhe Wang

We introduce UniLoss, a unified framework to generate surrogate losses for training deep networks with gradient descent, reducing the amount of manual design of task-specific surrogate losses. Our key observation is that in many cases,…

Computer Vision and Pattern Recognition · Computer Science 2020-07-29 Lanlan Liu , Mingzhe Wang , Jia Deng

Evolutionary algorithms are increasingly recognised as a viable computational approach for the automated optimisation of deep neural networks (DNNs) within artificial intelligence. This method extends to the training of DNNs, an approach…

Neural and Evolutionary Computing · Computer Science 2024-03-29 Fergal Stapleton , Brendan Cody-Kenny , Edgar Galván

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

Computer simulations, especially of complex phenomena, can be expensive, requiring high-performance computing resources. Often, to understand a phenomenon, multiple simulations are run, each with a different set of simulation input…

Machine Learning · Computer Science 2023-07-06 Chandrika Kamath , Juliette S. Franzman , Brian H. Daub

In many-task optimization scenarios, surrogate models are valuable for mitigating the computational burden of repeated fitness evaluations across tasks. This study proposes a novel meta-surrogate framework to assist many-task optimization,…

Machine Learning · Computer Science 2026-02-05 Xian-Rong Zhang , Yue-Jiao Gong , Yuan-Ting Zhong , Ting Huang , Jun Zhang

It has been shown that the parallel Lattice Linear Predicate (LLP) algorithm solves many combinatorial optimization problems such as the shortest path problem, the stable marriage problem and the market clearing price problem. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-11 Vijay K. Garg