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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…

神经与进化计算 · 计算机科学 2026-03-31 Tomohiro Harada , Enrique Alba , Gabriel Luque

Metaheuristic search algorithms look for solutions that either maximise or minimise a set of objectives, such as cost or performance. However most real-world optimisation problems consist of nonlinear problems with complex constraints and…

神经与进化计算 · 计算机科学 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns

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…

数值分析 · 数学 2026-03-16 Matteo Giacomini , Pedro Díez

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…

机器学习 · 计算机科学 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

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…

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function.…

机器学习 · 计算机科学 2025-03-07 Manh Cuong Dao , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

This paper presents a novel methodology that uses surrogate models in the form of neural networks to reduce the computation time of simulation-based optimization of a reference trajectory. Simulation-based optimization is necessary when…

最优化与控制 · 数学 2023-03-31 Evelyn Ruff , Rebecca Russell , Matthew Stoeckle , Piero Miotto , Jonathan P. How

Bayesian Optimization is a popular tool for tuning algorithms in automatic machine learning (AutoML) systems. Current state-of-the-art methods leverage Random Forests or Gaussian processes to build a surrogate model that predicts algorithm…

机器学习 · 计算机科学 2021-01-08 Jeroen van Hoof , Joaquin Vanschoren

Surrogate-based optimization, nature-inspired metaheuristics, and hybrid combinations have become state of the art in algorithm design for solving real-world optimization problems. Still, it is difficult for practitioners to get an overview…

神经与进化计算 · 计算机科学 2021-01-26 Jörg Stork , A. E. Eiben , Thomas Bartz-Beielstein

Recently, a surrogate model was proposed that employs a factorization machine to approximate the underlying input-output mapping of the original system, with quantum annealing used to optimize the resulting surrogate function. Inspired by…

机器学习 · 计算机科学 2026-01-21 Anbang Wang , Dunbo Cai , Yu Zhang , Yangqing Huang , Xiangyang Feng , Zhihong Zhang

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Measurement-constrained datasets, often encountered in semi-supervised learning, arise when data labeling is costly, time-intensive, or hindered by confidentiality or ethical concerns, resulting in a scarcity of labeled data. In certain…

统计方法学 · 统计学 2025-01-15 Yixin Shen , Yang Ning

In constraint learning, we use a neural network as a surrogate for part of the constraints or of the objective function of an optimization model. However, the tractability of the resulting model is heavily influenced by the size of the…

最优化与控制 · 数学 2026-03-19 Hung Pham , Aiden Ren , Ibrahim Tahir , Jiatai Tong , Thiago Serra

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

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…

机器学习 · 计算机科学 2025-03-05 Minh Hoang , Azza Fadhel , Aryan Deshwal , Janardhan Rao Doppa , Trong Nghia Hoang

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…

机器学习 · 计算机科学 2021-01-20 Martin Wistuba , Josif Grabocka

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…

神经与进化计算 · 计算机科学 2025-08-12 Tomohiro Harada , Enrique Alba , Gabriel Luque

Hyperparameter selection in continual learning scenarios is a challenging and underexplored aspect, especially in practical non-stationary environments. Traditional approaches, such as grid searches with held-out validation data from all…

机器学习 · 计算机科学 2024-06-21 Rudy Semola , Julio Hurtado , Vincenzo Lomonaco , Davide Bacciu

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

计算工程、金融与科学 · 计算机科学 2025-06-05 Seongmin Kim , In-Saeng Suh

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…

机器学习 · 计算机科学 2023-11-06 Arman Zharmagambetov , Brandon Amos , Aaron Ferber , Taoan Huang , Bistra Dilkina , Yuandong Tian