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Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey…

Machine Learning · Computer Science 2025-01-07 Yuan Mi , Pu Ren , Hongteng Xu , Hongsheng Liu , Zidong Wang , Yike Guo , Ji-Rong Wen , Hao Sun , Yang Liu

This study aims to predict the spatio-temporal evolution of physical quantities observed in multi-layered display panels subjected to the drop impact of a ball. To model these complex interactions, graph neural networks have emerged as…

Computational Physics · Physics 2024-11-05 Jiyong Kim , Jangseop Park , Nayong Kim , Younyeol Yu , Kiseok Chang , Chang-Seung Woo , Sunwoong Yang , Namwoo Kang

Graph neural networks have shown to learn effective node representations, enabling node-, link-, and graph-level inference. Conventional graph networks assume static relations between nodes, while relations between entities in a video often…

Computer Vision and Pattern Recognition · Computer Science 2022-12-07 Osman Ülger , Julian Wiederer , Mohsen Ghafoorian , Vasileios Belagiannis , Pascal Mettes

Numerical simulation is an essential tool in many areas of science and engineering, but its performance often limits application in practice or when used to explore large parameter spaces. On the other hand, surrogate deep learning models,…

Machine Learning · Computer Science 2022-05-18 Mario Lino , Stati Fotiadis , Anil A. Bharath , Chris Cantwell

Real-time condition monitoring is crucial for the reliable and efficient operation of complex systems. However, relying solely on physical sensors can be limited due to their cost, placement constraints, or inability to directly measure…

Machine Learning · Computer Science 2025-03-07 Mengjie Zhao , Cees Taal , Stephan Baggerohr , Olga Fink

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

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…

Fluid Dynamics · Physics 2021-12-22 Junfeng Chen , Elie Hachem , Jonathan Viquerat

Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face…

Machine Learning · Computer Science 2025-09-24 Vinay Sharma , Olga Fink

Graph convolutional networks (GCNs) can effectively capture the features of related nodes and improve the performance of the model. More attention is paid to employing GCN in Skeleton-Based action recognition. But existing methods based on…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Tingwei Li , Ruiwen Zhang , Qing Li

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…

Machine Learning · Computer Science 2023-08-29 Xiang Fu , Tian Xie , Nathan J. Rebello , Bradley D. Olsen , Tommi Jaakkola

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

We present a novel machine learning approach for data assimilation applied in fluid mechanics, based on adjoint-optimization augmented by Graph Neural Networks (GNNs) models. We consider as baseline the Reynolds-Averaged Navier-Stokes…

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

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its…

Machine Learning · Computer Science 2020-05-26 Zonghan Wu , Shirui Pan , Guodong Long , Jing Jiang , Xiaojun Chang , Chengqi Zhang

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

Machine Learning · Computer Science 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein