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Graph convolutional networks (GCNs) have been introduced to effectively process non-euclidean graph data. However, GCNs incur large amounts of irregularity in computation and memory access, which prevents efficient use of traditional neural…

Machine Learning · Computer Science 2021-11-08 Zhuofu Tao , Chen Wu , Yuan Liang , Lei He

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

We define a novel type of ensemble Graph Convolutional Network (GCN) model. Using optimized linear projection operators to map between spatial scales of graph, this ensemble model learns to aggregate information from each scale for its…

Machine Learning · Computer Science 2020-04-08 C. B. Scott , Eric Mjolsness

Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

Machine Learning · Computer Science 2023-10-18 Jiawang Dan , Ruofan Wu , Yunpeng Liu , Baokun Wang , Changhua Meng , Tengfei Liu , Tianyi Zhang , Ningtao Wang , Xing Fu , Qi Li , Weiqiang Wang

Graph convolution network (GCN) attracts intensive research interest with broad applications. While existing work mainly focused on designing novel GCN architectures for better performance, few of them studied a practical yet challenging…

Machine Learning · Computer Science 2020-10-16 Xiaoming Liu , Qirui Li , Chao Shen , Xi Peng , Yadong Zhou , Xiaohong Guan

Graph Neural Networks (GNNs) have recently gained attention due to their performance on non-Euclidean data. The use of custom hardware architectures proves particularly beneficial for GNNs due to their irregular memory access patterns,…

Hardware Architecture · Computer Science 2025-03-03 Pedro Gimenes , Yiren Zhao , George Constantinides

Kernel matrix-vector multiplication (KMVM) is a foundational operation in machine learning and scientific computing. However, as KMVM tends to scale quadratically in both memory and time, applications are often limited by these…

Numerical Analysis · Mathematics 2025-02-25 Robert Hu , Siu Lun Chau , Dino Sejdinovic , Joan Alexis Glaunès

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Machine Learning · Computer Science 2025-09-26 Rahul Khorana

Optimal usage of the memory system is a key element of fast GPU algorithms. Unfortunately many common algorithms fail in this regard despite exhibiting great regularity in memory access patterns. In this paper we propose efficient kernels…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-18 Mathis Bouverot-Dupuis , Mary Sheeran

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Graph Neural Networks (GNNs) require a large number of labeled graph samples to obtain good performance on the graph classification task. The performance of GNNs degrades significantly as the number of labeled graph samples decreases. To…

Machine Learning · Computer Science 2023-09-20 Abdullah Alchihabi , Yuhong Guo

Graph neural networks (GNNs) have demonstrated remarkable success in graph representation learning, and various sampling approaches have been proposed to scale GNNs to applications with large-scale graphs. A class of promising GNN training…

Machine Learning · Computer Science 2024-10-10 Rui Xue , Tong Zhao , Neil Shah , Xiaorui Liu

Scientific workloads have traditionally exploited high levels of sparsity to accelerate computation and reduce memory requirements. While deep neural networks can be made sparse, achieving practical speedups on GPUs is difficult because…

Machine Learning · Computer Science 2020-09-02 Trevor Gale , Matei Zaharia , Cliff Young , Erich Elsen

An important linear algebra routine, GEneral Matrix Multiplication (GEMM), is a fundamental operator in deep learning. Compilers need to translate these routines into low-level code optimized for specific hardware. Compiler-level…

Machine Learning · Computer Science 2019-09-25 Huaqing Zhang , Xiaolin Cheng , Hui Zang , Dae Hoon Park

Fast approximations to matrix multiplication have the potential to dramatically reduce the cost of neural network inference. Recent work on approximate matrix multiplication proposed to replace costly multiplications with table-lookups by…

Machine Learning · Computer Science 2022-07-14 Calvin McCarter , Nicholas Dronen

This paper describes a new method for representing embedding tables of graph neural networks (GNNs) more compactly via tensor-train (TT) decomposition. We consider the scenario where (a) the graph data that lack node features, thereby…

Machine Learning · Computer Science 2022-06-22 Chunxing Yin , Da Zheng , Israt Nisa , Christos Faloutos , George Karypis , Richard Vuduc

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

Machine Learning · Computer Science 2021-09-02 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini

Graph convolutional neural networks (GCNs) have emerged as a key technology in various application domains where the input data is relational. A unique property of GCNs is that its two primary execution stages, aggregation and combination,…

Hardware Architecture · Computer Science 2022-12-02 Ranggi Hwang , Minhoo Kang , Jiwon Lee , Dongyun Kam , Youngjoo Lee , Minsoo Rhu