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Large-scale numerical simulations are used across many scientific disciplines to facilitate experimental development and provide insights into underlying physical processes, but they come with a significant computational cost. Deep neural…

Surrogate models based on machine learning methods have become an important part of modern engineering to replace costly computer simulations. The data used for creating a surrogate model are essential for the model accuracy and often…

Machine Learning · Statistics 2023-10-03 Sven Lämmle , Can Bogoclu , Kevin Cremanns , Dirk Roos

Neural Operators (NOs) are machine learning models designed to solve partial differential equations (PDEs) by learning to map between function spaces. Neural Operators such as the Deep Operator Network (DeepONet) and the Fourier Neural…

Machine Learning · Computer Science 2025-04-30 W. Diab , M. Al-Kobaisi

Temporal Graph Neural Networks (TGNNs) are powerful models to capture temporal, structural, and contextual information on temporal graphs. The generated temporal node embeddings outperform other methods in many downstream tasks. Real-world…

Hardware Architecture · Computer Science 2022-03-11 Hongkuan Zhou , Bingyi Zhang , Rajgopal Kannan , Viktor Prasanna , Carl Busart

Modeling the structure and events of the physical world constitutes a fundamental objective of neural networks. Among the diverse approaches, Graph Network Simulators (GNS) have emerged as the leading method for modeling physical phenomena,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-07 Sheng Yang , Fengge Wu , Junsuo Zhao

Graph Neural Networks (GNNs) have shown impressive performance in graph representation learning, but they face challenges in capturing long-range dependencies due to their limited expressive power. To address this, Graph Transformers (GTs)…

Machine Learning · Computer Science 2024-06-19 Kaan Sancak , Zhigang Hua , Jin Fang , Yan Xie , Andrey Malevich , Bo Long , Muhammed Fatih Balin , Ümit V. Çatalyürek

In this work, we present a Boundary Oriented Graph Embedding (BOGE) approach for the Graph Neural Network (GNN) to serve as a general surrogate model for regressing physical fields and solving boundary value problems. Providing shortcuts…

Numerical Analysis · Mathematics 2021-09-01 Xingyu Fu , Fengfeng Zhou , Dheeraj Peddireddy , Zhengyang Kang , Martin Byung-Guk Jun , Vaneet Aggarwal

The great learning ability of deep learning models facilitates us to comprehend the real physical world, making learning to simulate complicated particle systems a promising endeavour. However, the complex laws of the physical world pose…

Machine Learning · Computer Science 2025-08-26 Guangsi Shi , Daokun Zhang , Ming Jin , Shirui Pan , Philip S. Yu

The inclusion of high-fidelity simulations of SOL turbulence and transient MHD events such as ELMs in highly iterative applications remains computationally prohibitive, limiting their use in design and control workflows. Understanding these…

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Simulation-based plasma scenario development, optimization and control are crucial elements towards the successful deployment of next-generation experimental tokamaks and Fusion power plants. Current simulation codes require extremely…

Plasma Physics · Physics 2024-02-14 N. Carey , L. Zanisi , S. Pamela , V. Gopakumar , J. Omotani , J. Buchanan , J. Brandstetter

This study introduces a two-scale Graph Neural Operator (GNO), namely, LatticeGraphNet (LGN), designed as a surrogate model for costly nonlinear finite-element simulations of three-dimensional latticed parts and structures. LGN has two…

Machine Learning · Computer Science 2024-09-17 Ayush Jain , Ehsan Haghighat , Sai Nelaturi

Neural architecture search (NAS) faces a challenge in balancing the exploration of expressive, broad search spaces that enable architectural innovation with the need for efficient evaluation of architectures to effectively search such…

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…

Machine Learning · Computer Science 2023-09-15 Michael Y. Li , Erin Grant , Thomas L. Griffiths

Predicting nutrient transport and salinity distribution is crucial for mitigating climate-related threats to agromaritime systems. Traditional PDE-based models can capture the physics of nutrient dispersion, salinity and water quality.…

Numerical Analysis · Mathematics 2026-04-24 Muhammad Ilyas

The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

Geophysics · Physics 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

Machine Learning · Computer Science 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Space-time graph neural networks (ST-GNNs) are recently developed architectures that learn efficient graph representations of time-varying data. ST-GNNs are particularly useful in multi-agent systems, due to their stability properties and…

Machine Learning · Computer Science 2022-10-31 Samar Hadou , Charilaos Kanatsoulis , Alejandro Ribeiro

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi