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Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Machine Learning · Computer Science 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

Gaussian Process Regression (GPR) is an important type of supervised machine learning model with inherent uncertainty measure in its predictions. We propose a new framework, nuGPR, to address the well-known challenge of high computation…

Machine Learning · Computer Science 2025-10-15 Ziqi Zhao , Vivek Sarin

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art deep learning model for representation learning on graphs. It is challenging to accelerate training of GCNs, due to (1) substantial and irregular data communication to…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-09 Hanqing Zeng , Viktor Prasanna

Training a Graph Neural Network (GNN) model on large-scale graphs involves a high volume of data communication and computations. While state-of-the-art CPUs and GPUs feature high computing power, the Standard GNN training protocol adopted…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-28 Yi-Chien Lin , Gangda Deng , Viktor Prasanna

Graph Neural Networks (GNNs) are widely used today in recommendation systems, fraud detection, and node/link classification tasks. Real world GNNs continue to scale in size and require a large memory footprint for storing graphs and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-31 Jeongmin Brian Park , Kun Wu , Vikram Sharma Mailthody , Zaid Quresh , Scott Mahlke , Wen-mei Hwu

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs, have presented two significant challenges to developing a programmable high-performance graph library.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-01-06 Yangzihao Wang , Yuechao Pan , Andrew Davidson , Yuduo Wu , Carl Yang , Leyuan Wang , Muhammad Osama , Chenshan Yuan , Weitang Liu , Andy T. Riffel , John D. Owens

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Machine Learning · Computer Science 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

Graph neural networks (GNNs) have shown significant accuracy improvements in a variety of graph learning domains, sparking considerable research interest. To translate these accuracy improvements into practical applications, it is essential…

Hardware Architecture · Computer Science 2023-08-17 Shuwen Lu , Zhihui Zhang , Cong Guo , Jingwen Leng , Yangjie Zhou , Minyi Guo

Graph Neural Networks (GNNs) have been widely adopted due to their strong performance. However, GNN training often relies on expensive, high-performance computing platforms, limiting accessibility for many tasks. Profiling of representative…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-12 Tong Qiao , Ao Zhou , Yingjie Qi , Yiou Wang , Han Wan , Jianlei Yang , Chunming Hu

Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…

Machine Learning · Computer Science 2026-04-02 Shichang Zhang , Atefeh Sohrabizadeh , Cheng Wan , Zijie Huang , Ziniu Hu , Yewen Wang , Yingyan , Lin , Jason Cong , Yizhou Sun

Full-batch training on Graph Neural Networks (GNN) to learn the structure of large graphs is a critical problem that needs to scale to hundreds of compute nodes to be feasible. It is challenging due to large memory capacity and bandwidth…

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large…

Machine Learning · Computer Science 2024-06-10 Xizhi Gu , Hongzheng Li , Shihong Gao , Xinyan Zhang , Lei Chen , Yingxia Shao

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

There has been an explosion of interest in designing various Knowledge Graph Neural Networks (KGNNs), which achieve state-of-the-art performance and provide great explainability for recommendation. The promising performance is mainly…

Information Retrieval · Computer Science 2022-12-12 Huiyuan Chen , Xiaoting Li , Kaixiong Zhou , Xia Hu , Chin-Chia Michael Yeh , Yan Zheng , Hao Yang

We study exact sparse linear regression with an $\ell_0-\ell_2$ penalty and develop a branch-and-bound (BnB) algorithm explicitly designed for GPU execution. Starting from a perspective reformulation, we derive an interval relaxation that…

Optimization and Control · Mathematics 2026-02-05 Xiang Meng , Ryan Lucas , Rahul Mazumder

Graph Neural Networks (GNNs) use a fully-connected layer to extract features from the nodes of a graph and aggregate these features using message passing between nodes, combining two distinct computational patterns: dense, regular…

Hardware Architecture · Computer Science 2021-03-22 Jacob R. Stevens , Dipankar Das , Sasikanth Avancha , Bharat Kaul , Anand Raghunathan

Full-graph training of graph neural networks (GNNs) is widely used as it enables direct validation of algorithmic improvements by preserving complete neighborhood information. However, it typically requires multiple GPUs or servers,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-13 Jaeyong Song , Seongyeon Park , Hongsun Jang , Jaewon Jung , Hunseong Lim , Junguk Hong , Jinho Lee

Modern machine learning models are typically trained using Stochastic Gradient Descent (SGD) on massively parallel computing resources such as GPUs. Increasing mini-batch size is a simple and direct way to utilize the parallel computing…

Machine Learning · Statistics 2019-03-05 Siyuan Ma , Mikhail Belkin

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art method for graph-based learning tasks. However, training GCNs at scale is still challenging, hindering both the exploration of more sophisticated GCN architectures and…

Machine Learning · Computer Science 2022-03-29 Cheng Wan , Youjie Li , Ang Li , Nam Sung Kim , Yingyan Lin

Graph neural networks (GNNs) achieve remarkable performance in graph machine learning tasks but can be hard to train on large-graph data, where their learning dynamics are not well understood. We investigate the training dynamics of…

Machine Learning · Computer Science 2023-06-02 Sanjukta Krishnagopal , Luana Ruiz