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Addressing real-world optimization challenges requires not only advanced metaheuristics but also continuous refinement of their internal mechanisms. This paper explores the integration of machine learning in the form of neural surrogate…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Tomohiro Harada , Enrique Alba , Gabriel Luque

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

The growing demand for energy-efficient, high-performance AI systems has led to increased attention on alternative computing platforms (e.g., photonic, neuromorphic) due to their potential to accelerate learning and inference. However,…

Machine Learning · Computer Science 2026-05-05 Andrei Chertkov , Artem Basharin , Mikhail Saygin , Evgeny Frolov , Stanislav Straupe , Ivan Oseledets

Modern computational methods, involving highly sophisticated mathematical formulations, enable several tasks like modeling complex physical phenomenon, predicting key properties and design optimization. The higher fidelity in these computer…

Computational Engineering, Finance, and Science · Computer Science 2023-04-13 Lele Luan , Nesar Ramachandra , Sandipp Krishnan Ravi , Anindya Bhaduri , Piyush Pandita , Prasanna Balaprakash , Mihai Anitescu , Changjie Sun , Liping Wang

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…

Numerical Analysis · Mathematics 2025-11-04 Matteo Giacomini , Antonio Huerta

Hyperparameter optimization (HPO) is a central pillar in the automation of machine learning solutions and is mainly performed via Bayesian optimization, where a parametric surrogate is learned to approximate the black box response function…

Machine Learning · Computer Science 2021-01-20 Martin Wistuba , Josif Grabocka

Solving complex problems requires continuous effort in developing theory and practice to cope with larger, more difficult scenarios. Working with surrogates is normal for creating a proxy that realistically models the problem into the…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Tomohiro Harada , Enrique Alba , Gabriel Luque

High-energy physics experiments face extreme data rates, requiring real-time trigger systems to reduce event throughput while preserving sensitivity to rare processes. Trigger systems are typically constructed as modular chains of…

High Energy Physics - Experiment · Physics 2026-03-10 Noah Clarke Hall , Ioannis Xiotidis , Nikos Konstantinidis , David W. Miller

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed…

Machine Learning · Statistics 2018-11-30 Chunlin Gong , Xu Li , Hua Su , Jinlei Guo , Liangxian Gu

Recently, a number of competitive methods have tackled unsupervised representation learning by maximising the mutual information between the representations produced from augmentations. The resulting representations are then invariant to…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Luke Nicholas Darlow , Amos Storkey

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

Careful design of semiconductor manufacturing equipment is crucial for ensuring the performance, yield, and reliability of semiconductor devices. Despite this, numerical optimization methods are seldom applied to optimize the design of such…

Computational Engineering, Finance, and Science · Computer Science 2024-11-14 Bingran Wang , Min Sung Kim , Taewoong Yoon , Dasom Lee , Byeong-Sang Kim , Dougyong Sung , John T. Hwang

Automatically searching for optimal hyperparameter configurations is of crucial importance for applying deep learning algorithms in practice. Recently, Bayesian optimization has been proposed for optimizing hyperparameters of various…

Artificial Intelligence · Computer Science 2017-01-24 Ilija Ilievski , Taimoor Akhtar , Jiashi Feng , Christine Annette Shoemaker

The need to rapidly solve PDEs in engineering design workflows has spurred the rise of neural surrogate models. In particular, neural operator models provide a discretization-invariant surrogate by retaining the infinite-dimensional,…

Machine Learning · Computer Science 2026-02-12 Yash Patel , Ambuj Tewari

Solving complex real problems often demands advanced algorithms, and then continuous improvements in the internal operations of a search technique are needed. Hybrid algorithms, parallel techniques, theoretical advances, and much more are…

Neural and Evolutionary Computing · Computer Science 2025-08-12 Tomohiro Harada , Enrique Alba , Gabriel Luque

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

Machine Learning · Computer Science 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

Designing an inexpensive approximate surrogate model that captures the salient features of an expensive high-fidelity behavior is a prevalent approach in design optimization. In recent times, Deep Learning (DL) models are being used as a…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits

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

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

Numerical Analysis · Mathematics 2026-03-16 Matteo Giacomini , Pedro Díez

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

Optimization and Control · Mathematics 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang
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