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Chemical plant design and optimisation have proven challenging due to the complexity of these real-world systems. The resulting complexity translates into high computational costs for these systems' mathematical formulations and simulation…

Neural and Evolutionary Computing · Computer Science 2022-04-28 Liezl Stander , Matthew Woolway , Terence L. Van Zyl

Optimization problems involving mixed variables (i.e., variables of numerical and categorical nature) can be challenging to solve, especially in the presence of mixed-variable constraints. Moreover, when the objective function is the result…

Optimization and Control · Mathematics 2024-12-12 Mengjia Zhu , Alberto Bemporad

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

The purpose of this paper is twofold. On one side, we present a general framework for Bayesian optimization and we compare it with some related fields in active learning and Bayesian numerical analysis. On the other hand, Bayesian…

Robotics · Computer Science 2018-02-13 Ruben Martinez-Cantin

Simulation is increasingly being used for generating large labelled datasets in many machine learning problems. Recent methods have focused on adjusting simulator parameters with the goal of maximising accuracy on a validation task, usually…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Harkirat Singh Behl , Atılım Güneş Baydin , Ran Gal , Philip H. S. Torr , Vibhav Vineet

This study aims to provide a comprehensive assessment of single-objective and multi-objective optimisation algorithms for the design of an elbow-type draft tube, as well as to introduce a computationally efficient optimisation workflow. The…

Optimization and Control · Mathematics 2024-01-18 Ante Sikirica , Ivana Lučin , Marta Alvir , Lado Kranjčević , Zoran Čarija

Active multi-fidelity surrogate modeling is developed for multi-condition airfoil shape optimization to reduce high-fidelity CFD cost while retaining RANS-level accuracy. The framework couples a low-fidelity-informed Gaussian process…

High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and…

Machine Learning · Computer Science 2024-11-07 Tyler E. Korenyi-Both , Nathan J. Falkiewicz , Matthew C. Jones

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Simulation and modeling are essential in product development, integrated into the design and manufacturing process to enhance efficiency and quality. They are typically represented as complex nonlinear differential algebraic equations. The…

Machine Learning · Computer Science 2026-03-25 Wenqiang Yang , Wenyuan Wu , Yong Feng , Changbo Chen

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

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

Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

In this work, we propose a multi-stage training strategy for the development of deep learning algorithms applied to problems with multiscale features. Each stage of the pro-posed strategy shares an (almost) identical network structure and…

Numerical Analysis · Mathematics 2020-09-25 Eric Chung , Wing Tat Leung , Sai-Mang Pun , Zecheng Zhang

The field of simulation optimization (SO) encompasses various methods developed to optimize complex, expensive-to-sample stochastic systems. Established methods include, but are not limited to, ranking-and-selection for finite alternatives…

Machine Learning · Statistics 2025-11-04 Haoting Zhang , Haoxian Chen , Donglin Zhan , Hanyang Zhao , Henry Lam , Wenpin Tang , David Yao , Zeyu Zheng

Creating artificial intelligence (AI) systems capable of demonstrating lifelong learning is a fundamental challenge, and many approaches and metrics have been proposed to analyze algorithmic properties. However, for existing lifelong…

Machine Learning · Computer Science 2022-08-01 Corban Rivera , Chace Ashcraft , Alexander New , James Schmidt , Gautam Vallabha

We present a probabilistic deep learning methodology that enables the construction of predictive data-driven surrogates for stochastic systems. Leveraging recent advances in variational inference with implicit distributions, we put forth a…

Machine Learning · Statistics 2019-01-16 Yibo Yang , Paris Perdikaris

Decentralized optimization enables multiple devices to learn a global machine learning model while each individual device only has access to its local dataset. By avoiding the need for training data to leave individual users' devices, it…

Machine Learning · Computer Science 2026-04-22 Ziqin Chen , Zuang Wang , Yongqiang Wang

Multilevel optimization has gained renewed interest in machine learning due to its promise in applications such as hyperparameter tuning and continual learning. However, existing methods struggle with the inherent difficulty of efficiently…

Machine Learning · Computer Science 2024-10-16 Yuntian Gu , Xuzheng Chen