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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…

Neural and Evolutionary Computing · Computer Science 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns

In reliability engineering, conventional surrogate models encounter the "curse of dimensionality" as the number of random variables increases. While the active learning Kriging surrogate approaches with high-dimensional model representation…

Machine Learning · Computer Science 2025-09-10 Wenxiong Li , Hanyu Liao , Suiyin Chen

Training machine learning models to predict properties of molecular conformer ensembles is an increasingly popular strategy to accelerate the conformational analysis of drug-like small molecules, reactive organic substrates, and homogeneous…

Machine Learning · Computer Science 2025-03-07 Keir Adams , Connor W. Coley

Multidisciplinary design optimization methods aim at adapting numerical optimization techniques to the design of engineering systems involving multiple disciplines. In this context, a large number of mixed continuous, integer and…

AI-driven surrogate modeling has become an increasingly effective alternative to physics-based simulations for 3D design, analysis, and manufacturing. These models leverage data-driven methods to predict physical quantities traditionally…

Machine Learning · Computer Science 2025-05-06 Yu-hsuan Chen , Jing Bi , Cyril Ngo Ngoc , Victor Oancea , Jonathan Cagan , Levent Burak Kara

Gradient-enhanced Kriging (GE-Kriging) is a well-established surrogate modelling technique for approximating expensive computational models. However, it tends to get impractical for high-dimensional problems due to the size of the inherent…

Machine Learning · Statistics 2024-01-05 Kai Cheng , Ralf Zimmermann

Genetic algorithms are a powerful tool in optimization for single and multi-modal functions. This paper provides an overview of their fundamentals with some analytical examples. In addition, we explore how they can be used as a parameter…

In the whole aircraft structural optimization loop, thermal analysis plays a very important role. But it faces a severe computational burden when directly applying traditional numerical analysis tools, especially when each optimization…

Machine Learning · Computer Science 2022-03-17 Kairui Bao , Wen Yao , Xiaoya Zhang , Wei Peng , Yu Li

Thanks to computing power increase, the certification and the conception of complex systems relies more and more on simulation. To this end, predictive codes are needed, which have generally to be evaluated in a huge number of input points.…

Methodology · Statistics 2017-12-06 Sophie Marque-Pucheu , Guillaume Perrin , Josselin Garnier

Continuous high frequency water quality monitoring is becoming a critical task to support water management. Despite the advancements in sensor technologies, certain variables cannot be easily and/or economically monitored in-situ and in…

Machine Learning · Computer Science 2020-01-28 María Castrillo , Álvaro López García

In cooperative localization, communicating mobile agents use inter-agent relative measurements to improve their dead-reckoning-based global localization. Measurement scheduling enables an agent to decide which subset of available…

Robotics · Computer Science 2021-12-07 Jianan Zhu , Solmaz S. Kia

We investigate two approaches to increase the efficiency of phenotypic prediction from genome-wide markers, which is a key step for genomic selection (GS) in plant and animal breeding. The first approach is feature selection based on Markov…

Methodology · Statistics 2013-09-09 Marco Scutari , Ian Mackay , David J. Balding

Statistical significance testing of neural coherence is essential for distinguishing genuine cross-signal coupling from spurious correlations. A widely accepted approach uses surrogate-based inference, where null distributions are generated…

Signal Processing · Electrical Eng. & Systems 2026-05-13 Md Rakibul Mowla , Sukhbinder Kumar , Ariane E. Rhone , Brian J. Dlouhy , Christopher K. Kovach

This paper aims to understand whether machine learning models should be trained using cost-sensitive surrogates or cost-agnostic ones (e.g., cross-entropy). Analyzing this question through the lens of $\mathcal{H}$-calibration, we find that…

Machine Learning · Computer Science 2025-02-28 Sanket Shah , Milind Tambe , Jessie Finocchiaro

Whole and targeted sequencing of human genomes is a promising, increasingly feasible tool for discovering genetic contributions to risk of complex diseases. A key step is calling an individual's genotype from the multiple aligned short read…

Applications · Statistics 2012-06-29 Baiyu Zhou , Alice S. Whittemore

State estimation is the task of approximately reconstructing a solution $u$ of a parametric partial differential equation when the parameter vector $y$ is unknown and the only information is $m$ linear measurements of $u$. In [Cohen et.…

Numerical Analysis · Mathematics 2021-03-09 James A. Nichols

This paper introduces a modular and scalable design optimization framework for the glider wing design process that enables faster early-phase design while ensuring aerodynamic stability. The pipeline starts with the generation of initial…

Neural and Evolutionary Computing · Computer Science 2026-05-06 Arash Fath Lipaei , AmirHossein Ghaemi , Melika Sabzikari

Recently, several optimization methods have been successfully applied to the hyperparameter optimization of deep neural networks (DNNs). The methods work by modeling the joint distribution of hyperparameter values and corresponding error.…

Machine Learning · Computer Science 2016-08-02 Ilija Ilievski , Jiashi Feng

Improving predictive understanding of Earth system variability and change requires data-model integration. Efficient data-model integration for complex models requires surrogate modeling to reduce model evaluation time. However, building a…

Machine Learning · Statistics 2019-01-17 Dan Lu , Daniel Ricciuto

Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

Machine Learning · Computer Science 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger