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Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

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

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

Poroelasticity -- coupled fluid flow and elastic deformation in porous media -- often involves spatially variable permeability, especially in subsurface systems. In such cases, simulations with random permeability fields are widely used for…

Machine Learning · Computer Science 2025-09-16 Sangjoon Park , Yeonjong Shin , Jinhyun Choo

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

In the paper, a multi-objective evolutionary surrogate-assisted approach for the fast and effective generative design of coastal breakwaters is proposed. To approximate the computationally expensive objective functions, the deep…

Neural and Evolutionary Computing · Computer Science 2022-10-28 Nikita O. Starodubcev , Nikolay O. Nikitin , Anna V. Kalyuzhnaya

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

Reduced-order models, also known as proxy model or surrogate model, are approximate models that are less computational expensive as opposed to fully descriptive models. With the integration of machine learning, these models have garnered…

Machine Learning · Computer Science 2024-10-15 Jungang Chen , Eduardo Gildin , John Killough

Objective: Deep learning-based deformable image registration has achieved strong accuracy, but remains sensitive to variations in input image characteristics such as artifacts, field-of-view mismatch, or modality difference. We aim to…

Computer Vision and Pattern Recognition · Computer Science 2025-09-15 Yihao Liu , Junyu Chen , Lianrui Zuo , Shuwen Wei , Brian D. Boyd , Carmen Andreescu , Olusola Ajilore , Warren D. Taylor , Aaron Carass , Bennett A. Landman

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

Accurate simulation of brain deformation is a key component for developing realistic, interactive neurosurgical simulators, as complex nonlinear deformations must be captured to ensure realistic tool-tissue interactions. However,…

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

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

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

Predicting and simulating aerodynamic fields for civil aircraft over wide flight envelopes represent a real challenge mainly due to significant numerical costs and complex flows. Surrogate models and reduced-order models help to estimate…

Fluid Dynamics · Physics 2019-12-11 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut

In NeuroEvolution, the topologies of artificial neural networks are optimized with evolutionary algorithms to solve tasks in data regression, data classification, or reinforcement learning. One downside of NeuroEvolution is the large amount…

Neural and Evolutionary Computing · Computer Science 2019-02-12 Jörg Stork , Martin Zaefferer , Thomas Bartz-Beielstein

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

Microfluidics have shown great promise in multiple applications, especially in biomedical diagnostics and separations. While the flow properties of these microfluidic devices can be solved by numerical methods such as computational fluid…

Fluid Dynamics · Physics 2021-05-12 Quang Tuyen Le , Pao-Hsiung Chiu , Chin Chun Ooi

The development of next-generation structural materials for harsh environments requires rapid assessment of mechanical performance and its dependence on microstructure. While full-field crystal plasticity (CP) models provide detailed…

Materials Science · Physics 2025-10-09 Michael D. Atkinson , Michael D. White , Adam J. Plowman , Pratheek Shanthraj

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…