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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

As urban environments grow, the modelling of transportation systems becomes increasingly complex. This paper advances the field of travel demand modelling by introducing advanced Graph Neural Network (GNN) architectures as surrogate models,…

Machine Learning · Computer Science 2025-03-21 Nikita Makarov , Santhanakrishnan Narayanan , Constantinos Antoniou

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

Understanding the process of multiphase fluid flow through porous media is crucial for many climate change mitigation technologies, including CO$_2$ geological storage, hydrogen storage, and fuel cells. However, current numerical models are…

Fluid Dynamics · Physics 2024-11-22 Yuxuan Gu , Catherine Spurin , Gege Wen

Simulating object deformations is a critical challenge across many scientific domains, including robotics, manufacturing, and structural mechanics. Learned Graph Network Simulators (GNSs) offer a promising alternative to traditional…

Surrogate strategies are used widely for uncertainty quantification of groundwater models in order to improve computational efficiency. However, their application to dynamic multiphase flow problems is hindered by the curse of…

Machine Learning · Statistics 2019-05-02 Shaoxing Mo , Yinhao Zhu , Nicholas Zabaras , Xiaoqing Shi , Jichun Wu

Graph convolutional networks (GCNs) have emerged as a powerful alternative to multiple instance learning with convolutional neural networks in digital pathology, offering superior handling of structural information across various spatial…

Image and Video Processing · Electrical Eng. & Systems 2024-03-25 Victor Ibañez , Przemyslaw Szostak , Quincy Wong , Konstanty Korski , Samaneh Abbasi-Sureshjani , Alvaro Gomariz

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Machine Learning · Computer Science 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Subsurface flow problems usually involve some degree of uncertainty. Consequently, uncertainty quantification is commonly necessary for subsurface flow prediction. In this work, we propose a methodology for efficient uncertainty…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

Graph Convolutional Network (GCN) has been widely applied in transportation demand prediction due to its excellent ability to capture non-Euclidean spatial dependence among station-level or regional transportation demands. However, in most…

Machine Learning · Computer Science 2020-12-16 Junchen Ye , Leilei Sun , Bowen Du , Yanjie Fu , Hui Xiong

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

Traffic prediction is a critical component of intelligent transportation systems, enabling applications such as congestion mitigation and accident risk prediction. While recent research has explored both graph-based and grid-based…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Hyeonseok Jin , Geonmin Kim , Kyungbaek Kim

Convolutional Neural Network (CNN) has demonstrated impressive ability to represent hyperspectral images and to achieve promising results in hyperspectral image classification. However, traditional CNN models can only operate convolution on…

Image and Video Processing · Electrical Eng. & Systems 2019-05-16 Sheng Wan , Chen Gong , Ping Zhong , Bo Du , Lefei Zhang , Jian Yang

The development of efficient surrogates for partial differential equations (PDEs) is a critical step towards scalable modeling of complex, multiscale systems-of-systems. Convolutional neural networks (CNNs) have gained popularity as the…

Machine Learning · Computer Science 2025-06-04 Adrienne M. Propp , Daniel M. Tartakovsky

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros

To read the final version please go to IEEE TGRS on IEEE Xplore. Convolutional neural networks (CNNs) have been attracting increasing attention in hyperspectral (HS) image classification, owing to their ability to capture spatial-spectral…

Computer Vision and Pattern Recognition · Computer Science 2021-07-07 Danfeng Hong , Lianru Gao , Jing Yao , Bing Zhang , Antonio Plaza , Jocelyn Chanussot

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang