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As Graph Neural Networks (GNNs) increase in popularity for scientific machine learning, their training and inference efficiency is becoming increasingly critical. Additionally, the deep learning field as a whole is trending towards wider…

Machine Learning · Computer Science 2022-07-21 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath

We present GNNAutoScale (GAS), a framework for scaling arbitrary message-passing GNNs to large graphs. GAS prunes entire sub-trees of the computation graph by utilizing historical embeddings from prior training iterations, leading to…

Machine Learning · Computer Science 2021-06-11 Matthias Fey , Jan E. Lenssen , Frank Weichert , Jure Leskovec

Spatio-temporal graphs are powerful tools for modeling complex dependencies in traffic time series. However, the distributed nature of real-world traffic data across multiple stakeholders poses significant challenges in modeling and…

Machine Learning · Computer Science 2025-11-14 Feng Wang , Tianxiang Chen , Shuyue Wei , Qian Chu , Yi Zhang , Yifan Sun , Zhiming Zheng

Exploring the missing values is an essential but challenging issue due to the complex latent spatio-temporal correlation and dynamic nature of time series. Owing to the outstanding performance in dealing with structure learning potentials,…

Machine Learning · Computer Science 2024-07-19 Guojun Liang , Prayag Tiwari , Slawomir Nowaczyk , Stefan Byttner

Spatio-temporal prediction is a pivotal task with broad applications in traffic management, climate monitoring, energy scheduling, etc. However, existing methodologies often struggle to balance model expressiveness and computational…

Machine Learning · Computer Science 2025-05-27 Jiawen Chen , Qi Shao , Duxin Chen , Wenwu Yu

Deep learning thrives with large neural networks and large datasets. However, larger networks and larger datasets result in longer training times that impede research and development progress. Distributed synchronous SGD offers a potential…

Computer Vision and Pattern Recognition · Computer Science 2018-05-02 Priya Goyal , Piotr Dollár , Ross Girshick , Pieter Noordhuis , Lukasz Wesolowski , Aapo Kyrola , Andrew Tulloch , Yangqing Jia , Kaiming He

Solving partial differential equations (PDEs) serves as a cornerstone for modeling complex dynamical systems. Recent progresses have demonstrated grand benefits of data-driven neural-based models for predicting spatiotemporal dynamics…

Machine Learning · Computer Science 2025-03-04 Bocheng Zeng , Qi Wang , Mengtao Yan , Yang Liu , Ruizhi Chengze , Yi Zhang , Hongsheng Liu , Zidong Wang , Hao Sun

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

We propose a multiscale spatio-temporal graph neural network (MST-GNN) to predict the future 3D skeleton-based human poses in an action-category-agnostic manner. The core of MST-GNN is a multiscale spatio-temporal graph that explicitly…

Computer Vision and Pattern Recognition · Computer Science 2021-09-29 Maosen Li , Siheng Chen , Yangheng Zhao , Ya Zhang , Yanfeng Wang , Qi Tian

We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…

Machine Learning · Computer Science 2025-07-09 Manuel Ricardo Guevara Garban , Yves Chemisky , Étienne Prulière , Michaël Clément

In this study, we introduce a domain-decomposition-based distributed training and inference approach for message-passing neural networks (MPNN). Our objective is to address the challenge of scaling edge-based graph neural networks as the…

Machine Learning · Computer Science 2025-02-20 Priyesh Kakka , Sheel Nidhan , Rishikesh Ranade , Jay Pathak , Jonathan F. MacArt

Graph neural networks (GNNs) leverage the connectivity and structure of real-world graphs to learn intricate properties and relationships between nodes. Many real-world graphs exceed the memory capacity of a GPU due to their sheer size, and…

Machine Learning · Computer Science 2025-10-30 Aditya K. Ranjan , Siddharth Singh , Cunyang Wei , Abhinav Bhatele

Spatio-Temporal Graph Neural Networks (STGNNs) have emerged as a powerful tool for modeling dynamic graph-structured data across diverse domains. However, they often fail to generalize in Spatio-Temporal Out-of-Distribution (STOOD)…

Machine Learning · Computer Science 2025-10-14 Haoyu Zhang , Wentao Zhang , Hao Miao , Xinke Jiang , Yuchen Fang , Yifan Zhang

Graph Convolutional Networks (GCNs) are increasingly adopted in large-scale graph-based recommender systems. Training GCN requires the minibatch generator traversing graphs and sampling the sparsely located neighboring nodes to obtain their…

Machine Learning · Computer Science 2021-08-17 Seung Won Min , Kun Wu , Sitao Huang , Mert Hidayetoğlu , Jinjun Xiong , Eiman Ebrahimi , Deming Chen , Wen-mei Hwu

Dynamic spatial graph construction is a challenge in graph neural network (GNN) for time series data problems. Although some adaptive graphs are conceivable, only a 2D graph is embedded in the network to reflect the current spatial…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Chengcheng Jia , Bo Wu , Xiao-Ping Zhang

Brain-inspired Spiking Neural Networks (SNNs) have attracted attention for their event-driven characteristics and high energy efficiency. However, the temporal dependency and irregularity of spikes present significant challenges for…

Hardware Architecture · Computer Science 2025-06-11 Kainan Wang , Chengyi Yang , Chengting Yu , Yee Sin Ang , Bo Wang , Aili Wang

The proliferation of extensive neural network architectures, particularly deep learning models, presents a challenge in terms of resource-intensive training. GPU memory constraints have become a notable bottleneck in training such sizable…

Machine Learning · Computer Science 2025-02-07 Cevat Volkan Karadağ , Nezih Topaloğlu

Compared with artificial neural networks (ANNs), spiking neural networks (SNNs) are promising to explore the brain-like behaviors since the spikes could encode more spatio-temporal information. Although pre-training from ANN or direct…

Neural and Evolutionary Computing · Computer Science 2018-09-18 Yujie Wu , Lei Deng , Guoqi Li , Jun Zhu , Luping Shi

We present Geo2DR (Geometric to Distributed Representations), a GPU ready Python library for unsupervised learning on graph-structured data using discrete substructure patterns and neural language models. It contains efficient…

Machine Learning · Computer Science 2020-07-10 Paul Scherer , Pietro Lio

Graph neural networks (GNNs) have been broadly studied on dynamic graphs for their representation learning, majority of which focus on graphs with homogeneous structures in the spatial domain. However, many real-world graphs - i.e.,…

Machine Learning · Computer Science 2021-10-27 Yujie Fan , Mingxuan Ju , Chuxu Zhang , Liang Zhao , Yanfang Ye