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Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Machine Learning · Computer Science 2023-08-10 Robin Ruff , Patrick Reiser , Jan Stühmer , Pascal Friederich

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

In recent years, graph neural networks (GNNs) have been widely applied in tackling combinatorial optimization problems. However, existing methods still suffer from limited accuracy when addressing that on complex graphs and exhibit poor…

Machine Learning · Computer Science 2025-11-13 Yuyao Long

Graph Neural Network (GNN) inference is used in many real-world applications. Data sparsity in GNN inference, including sparsity in the input graph and the GNN model, offer opportunities to further speed up inference. Also, many pruning…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-24 Bingyi Zhang , Viktor Prasanna

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

Graph neural networks (GNNs) have achieved breakthroughs in various real-world downstream tasks due to their powerful expressiveness. As the scale of real-world graphs has been continuously growing, a storage-based approach to GNN training…

Machine Learning · Computer Science 2026-01-07 Myung-Hwan Jang , Jeong-Min Park , Yunyong Ko , Sang-Wook Kim

Neural image compression have reached or out-performed traditional methods (such as JPEG, BPG, WebP). However,their sophisticated network structures with cascaded convolution layers bring heavy computational burden for practical deployment.…

Image and Video Processing · Electrical Eng. & Systems 2022-03-14 Shanzhi Yin , Chao Li , Wen Tan , Youneng Bao , Yongsheng Liang , Wei Liu

The rapid growth of graph data poses significant challenges in storage, transmission, and particularly the training of graph neural networks (GNNs). To address these challenges, graph condensation (GC) has emerged as an innovative solution.…

Machine Learning · Computer Science 2025-01-28 Xinyi Gao , Junliang Yu , Tong Chen , Guanhua Ye , Wentao Zhang , Hongzhi Yin

We introduce Stream-K, a work-centric parallelization of matrix multiplication (GEMM) and related computations in dense linear algebra. Whereas contemporary decompositions are primarily tile-based, our method operates by partitioning an…

Data Structures and Algorithms · Computer Science 2023-01-11 Muhammad Osama , Duane Merrill , Cris Cecka , Michael Garland , John D. Owens

The training phases of Deep neural network~(DNN) consumes enormous processing time and energy. Compression techniques utilizing the sparsity of DNNs can effectively accelerate the inference phase of DNNs. However, it is hardly used in the…

Machine Learning · Computer Science 2022-03-14 Zhuoran Song , Yihong Xu , Han Li , Naifeng Jing , Xiaoyao Liang , Li Jiang

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

General sparse matrix-matrix multiplication (SpGEMM) is an integral part of many scientific computing, high-performance computing (HPC), and graph analytic applications. This paper presents a new compressed sparse vector (CSV) format for…

Performance · Computer Science 2021-12-21 Erfan Bank Tavakoli , Michael Riera , Masudul Hassan Quraishi , Fengbo Ren

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

Machine Learning · Computer Science 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

This paper introduces a new kernel-based classifier by viewing kernel matrices as generalized graphs and leveraging recent progress in graph embedding techniques. The proposed method facilitates fast and scalable kernel matrix embedding,…

Machine Learning · Computer Science 2024-11-12 Cencheng Shen

A new format for storing sparse matrices is proposed for efficient sparse matrix-vector (SpMV) product calculation on modern graphics processing units (GPUs). This format extends the standard compressed row storage (CRS) format and can be…

Computational Physics · Physics 2014-04-29 Zbigniew Koza , Maciej Matyka , Sebastian Szkoda , Łukasz Mirosław

Learning on graph structured data has drawn increasing interest in recent years. Frameworks like Graph Convolutional Networks (GCNs) have demonstrated their ability to capture structural information and obtain good performance in various…

Machine Learning · Computer Science 2020-05-19 Yufan Zhou , Jiayi Xian , Changyou Chen , Jinhui Xu

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

Graph Neural Networks (GNNs) are proven to be powerful models to generate node embedding for downstream applications. However, due to the high computation complexity of GNN inference, it is hard to deploy GNNs for large-scale or real-time…

Machine Learning · Computer Science 2021-05-11 Hongkuan Zhou , Ajitesh Srivastava , Hanqing Zeng , Rajgopal Kannan , Viktor Prasanna

Sparse General Matrix-Matrix Multiplication (SpGEMM) is a fundamental operation in numerous scientific computing and data analytics applications, often bottlenecked by irregular memory access patterns. This paper presents Hash based…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-16 Shiju Li , Younghoon Min , Hane Yie , Hoshik Kim , Soohong Ahn , Joonseop Sim , Chul-Ho Lee , Jongryool Kim