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Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

机器学习 · 计算机科学 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

地球物理 · 物理学 2023-12-13 Yongjin Choi , Krishna Kumar

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

机器学习 · 计算机科学 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

流体动力学 · 物理学 2024-12-24 Farnoosh Hadizadeh , Wrik Mallik , Rajeev K. Jaiman

During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by…

机器学习 · 计算机科学 2026-01-15 Agatha Schmidt , Henrik Zunker , Alexander Heinlein , Martin J. Kühn

Numerical simulation of multi-phase fluid dynamics in porous media is critical to a variety of geoscience applications. Data-driven surrogate models using Convolutional Neural Networks (CNNs) have shown promise but are constrained to…

计算物理 · 物理学 2024-12-18 Jiamin Jiang , Jingrun Chen , Zhouwang Yang

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

机器学习 · 计算机科学 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

In this work we propose a deep neural network based surrogate model for a plasma shadowgraph - a technique for visualization of perturbations in a transparent medium. We are substituting the numerical code by a computationally cheaper…

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

机器学习 · 计算机科学 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

Not being able to understand and predict the behavior of deep learning systems makes it hard to decide what architecture and algorithm to use for a given problem. In science and engineering, modeling is a methodology used to understand…

机器学习 · 计算机科学 2023-09-15 Michael Y. Li , Erin Grant , Thomas L. Griffiths

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

数值分析 · 数学 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

Graph Neural Networks have gained huge interest in the past few years. These powerful algorithms expanded deep learning models to non-Euclidean space and were able to achieve state of art performance in various applications including…

机器学习 · 计算机科学 2023-02-14 Zahraa Al Sahili , Mariette Awad

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

材料科学 · 物理学 2024-06-19 Johannes Allotey , Keith T. Butler , Jeyan Thiyagalingam

Many climate processes are characterized using large systems of nonlinear differential equations; this, along with the immense amount of data required to parameterize complex interactions, means that Earth-System Model (ESM) simulations may…

大气与海洋物理 · 物理学 2024-09-20 Kevin Potter , Carianne Martinez , Reina Pradhan , Samantha Brozak , Steven Sleder , Lauren Wheeler

In the recent years, the domain of fast flow field prediction has been vastly dominated by pixel-based convolutional neural networks. Yet, the recent advent of graph convolutional neural networks (GCNNs) have attracted a considerable…

流体动力学 · 物理学 2021-12-22 Junfeng Chen , Elie Hachem , Jonathan Viquerat

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

机器学习 · 计算机科学 2026-05-18 Haoran Li , Tobias Lehrer , Yingxue Zhao , Haosu Zhou , Philipp Stocker , Tobias Pfaff , Nan Li

Simulation techniques such as the finite element method are essential for designing electrical devices, but their computational cost can be prohibitive for repeated or real-time computations. Projection-based model order reduction…

计算工程、金融与科学 · 计算机科学 2026-01-27 Matteo Zorzetto , Merle Backmeyer , Michael Wiesheu , Riccardo Torchio , Fabrizio Dughiero , Sebastian Schöps

Spatial prediction refers to the estimation of unobserved values from spatially distributed observations. Although recent advances have improved the capacity to model diverse observation types, adoption in practice remains limited in…

机器学习 · 统计学 2025-10-10 Yuta Shikuri , Hironori Fujisawa

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…

机器学习 · 计算机科学 2024-06-05 Jangseop Park , Namwoo Kang

In recent years, various artificial intelligence-based surrogate models have been proposed to provide rapid manufacturability predictions of material forming processes. However, traditional AI-based surrogate models, typically built with…

机器学习 · 计算机科学 2025-07-17 Yingxue Zhao , Qianyi Chen , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Tailin Wu , Nan Li