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Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been…

Computational Physics · Physics 2018-12-05 Gregory Teichert , Krishna Garikipati

Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance…

Materials Science · Physics 2023-10-10 Rupesh Chafle , Vishal Panwar , Kaushik Das , Somnath Bhowmick , Rajdip Mukherjee

State-of-the-art Deep Neural Networks (DNNs) often incorporate multi-branch connections, enabling multi-scale feature extraction and enhancing the capture of diverse features. This design improves network capacity and generalisation to…

Neural and Evolutionary Computing · Computer Science 2025-06-26 Fergal Stapleton , Daniel García Núñez , Yanan Sun , Edgar Galván

Scientific computing for large deformation of elastic-plastic solids is critical for numerous real-world applications. Classical numerical solvers rely primarily on local discrete linear approximation and are constrained by an inherent…

Machine Learning · Computer Science 2025-06-09 Shilong Tao , Zhe Feng , Haonan Sun , Zhanxing Zhu , Yunhuai Liu

Recent developments in surrogate construction predominantly focused on two strategies to improve surrogate accuracy. Firstly, component-wise domain scaling informed by cross-validation. Secondly, regression to construct response surfaces…

Optimization and Control · Mathematics 2023-04-03 Johann Bouwer , Daniel N. Wilke , Schalk Kok

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

Numerical Analysis · Mathematics 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

Transmission expansion planning (TEP) plays a critical role in ensuring power system reliability and facilitating the integration of renewable energy resources. However, this process requires planners to constantly deal with significant…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Victor Schmitt , Farzaneh Pourahmadi , Angela Flores-Quiroz , Pablo Apablaza , Pierluigi Mancarella

Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

The prediction of upcoming events in industrial processes has been a long-standing research goal since it enables optimization of manufacturing parameters, planning of equipment maintenance and more importantly prediction and eventually…

Computer Vision and Pattern Recognition · Computer Science 2020-02-26 Nikolaos Dimitriou , Lampros Leontaris , Thanasis Vafeiadis , Dimosthenis Ioannidis , Tracy Wotherspoon , Gregory Tinker , Dimitrios Tzovaras

Surrogate modeling has become a valuable technique for black-box optimization tasks with expensive evaluation of the objective function. In this paper, we investigate the relationship between the predictive accuracy of surrogate models and…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Zbyněk Pitra , Jan Koza , Jiří Tumpach , Martin Holeňa

This paper considers the creation of parametric surrogate models for applications in science and engineering where the goal is to predict high-dimensional spatiotemporal output quantities of interest, such as pressure, temperature and…

Computational Physics · Physics 2022-03-24 Chi Hoang , Kenny Chowdhary , Kookjin Lee , Jaideep Ray

Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…

Chaotic systems pose fundamental challenges for data-driven dynamics discovery, as small modeling errors lead to exponentially growing trajectory discrepancies. Since exact long-term prediction is unattainable, it is natural to ask what a…

Machine Learning · Computer Science 2026-05-15 Joon-Hyuk Ko , Andrus Giraldo , Deok-Sun Lee

Mesh-based numerical solvers are an important part in many design tool chains. However, accurate simulations like computational fluid dynamics are time and resource consuming which is why surrogate models are employed to speed-up the…

Machine Learning · Computer Science 2023-07-27 Sebastian Strönisch , Maximilian Sander , Andreas Knüpfer , Marcus Meyer

Bayesian formulations of inverse problems are attractive for their ability to incorporate prior knowledge and update probabilistic models as new data become available. Markov chain Monte Carlo (MCMC) methods sample posterior probability…

Geophysics · Physics 2025-05-07 Giovanni Angelo Meles , Stefano Marelli , Niklas Linde

The accurate prediction of flow fields around airfoils is crucial for aerodynamic design and optimisation. Computational Fluid Dynamics (CFD) models are effective but computationally expensive, thus inspiring the development of surrogate…

Machine Learning · Computer Science 2025-11-19 Kenechukwu Ogbuagu , Sepehr Maleki , Giuseppe Bruni , Senthil Krishnababu

This work presents a deep learning surrogate model for the fast simulation of high-dimensional frequency selective surfaces. We consider unit-cells which are built as multiple concatenated stacks of screens and their design requires the…

Signal Processing · Electrical Eng. & Systems 2023-09-22 Lucas Polo-López , Luc Le Magoarou , Romain Contreres , María García-Vigueras

Surrogate modeling has brought about a revolution in computation in the branches of science and engineering. Backed by Artificial Intelligence, a surrogate model can present highly accurate results with a significant reduction in…

Artificial Intelligence · Computer Science 2022-10-17 Abid Hossain Khan , Salauddin Omar , Nadia Mushtary , Richa Verma , Dinesh Kumar , Syed Alam