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Dynamic graph representation learning plays a crucial role in understanding evolving behaviors. However, existing methods often struggle with flexibility, adaptability, and the preservation of temporal and structural dynamics. To address…

Machine Learning · Computer Science 2025-01-22 He Yu , Jing Liu

Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…

Machine Learning · Computer Science 2025-11-24 Riccardo Tedoldi , Ola Engkvist , Patrick Bryant , Hossein Azizpour , Jon Paul Janet , Alessandro Tibo

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-01 Yuchen Zhong , Guangming Sheng , Tianzuo Qin , Minjie Wang , Quan Gan , Chuan Wu

Graph neural networks (GNNs) are powerful tools for exploring and learning from graph structures and features. As such, achieving high-performance execution for GNNs becomes crucially important. Prior works have proposed to explore the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-30 Yangjie Zhou , Yaoxu Song , Jingwen Leng , Zihan Liu , Weihao Cui , Zhendong Zhang , Cong Guo , Quan Chen , Li Li , Minyi Guo

Designing flexible graph kernels that can run well on various platforms is a crucial research problem due to the frequent usage of graphs for modeling data and recent architectural advances and variety. In this work, we propose a novel…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-13 Abdurrahman Yasar , Sivasankaran Rajamanickam , Jonathan W. Berry , Umit V. Catalyurek

Representation learning algorithms automatically learn the features of data. Several representation learning algorithms for graph data, such as DeepWalk, node2vec, and GraphSAGE, sample the graph to produce mini-batches that are suitable…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-12 Abhinav Jangda , Sandeep Polisetty , Arjun Guha , Marco Serafini

Heterogeneous computing platforms consisting of general purpose processors (GPPs) and graphics processing units (GPUs) have become commonplace in personal mobile devices and embedded systems. For years, programming of these platforms was…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-11 Jani Boutellier , Ilkka Hautala

High parallel framework has been proved to be very suitable for graph processing. There are various work to optimize the implementation in FPGAs, a pipeline parallel device. The key to make use of the parallel performance of FPGAs is to…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-02 Chengbo Yang

Generating Knowledge Graph (KG) embeddings at web scale remains challenging. Among existing techniques, RDF2vec combines effectiveness with strong scalability. We present gpuRDF2vec, an open source library that harnesses modern GPUs and…

Artificial Intelligence · Computer Science 2025-08-05 Martin Böckling , Heiko Paulheim

Quantum walks are a well-established model for the study of coherent transport phenomena and provide a universal platform in quantum information theory. Dynamically influencing the walker's evolution gives a high degree of flexibility for…

Graph-structured data arise in wide applications, such as computer vision, bioinformatics, and social networks. Quantifying similarities among graphs is a fundamental problem. In this paper, we develop a framework for computing graph…

Machine Learning · Statistics 2018-09-11 Zhen Zhang , Mianzhi Wang , Yijian Xiang , Yan Huang , Arye Nehorai

An important part of many machine learning workflows on graphs is vertex representation learning, i.e., learning a low-dimensional vector representation for each vertex in the graph. Recently, several powerful techniques for unsupervised…

Machine Learning · Computer Science 2019-01-23 Hooman Peiro Sajjad , Andrew Docherty , Yuriy Tyshetskiy

Random walk is widely used in many graph analysis tasks, especially the first-order random walk. However, as a simplification of real-world problems, the first-order random walk is poor at modeling higher-order structures in the data.…

Databases · Computer Science 2022-03-31 Hongzheng Li , Yingxia Shao , Junping Du , Bin Cui , Lei Chen

Efficient and coherent data retrieval and storage are essential for harnessing quantum algorithms' speedup. Such a fundamental task is addressed by a quantum Random Access Memory (qRAM). Despite their promising scaling properties, current…

Quantum Physics · Physics 2026-04-09 Giuseppe De Riso , Giuseppe Catalano , Seth Lloyd , Vittorio Giovannetti , Dario De Santis

Dynamic graphs, featuring continuously updated vertices and edges, have grown in importance for numerous real-world applications. To accommodate this, graph frameworks, particularly their internal data structures, must support both…

Data Structures and Algorithms · Computer Science 2024-03-06 Abdullah Al Raqibul Islam , Dong Dai

The growing demand for real-time DNN applications on edge devices necessitates faster inference of increasingly complex models. Although many devices include specialized accelerators (e.g., mobile GPUs), dynamic control-flow operators and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-15 Chong Tang , Hao Dai , Jagmohan Chauhan

This paper introduces FlexNN, a Flexible Neural Network accelerator, which adopts agile design principles to enable versatile dataflows, enhancing energy efficiency. Unlike conventional convolutional neural network accelerator architectures…

Hardware Architecture · Computer Science 2025-06-27 Arnab Raha , Deepak A. Mathaikutty , Soumendu K. Ghosh , Shamik Kundu

High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…

Hardware Architecture · Computer Science 2015-04-20 Syed Waqar Nabi , Saji N. Hameed , Wim Vanderbauwhede

Quantum walks provide a versatile framework for probing the structural and dynamical properties of complex systems ranging from biological networks to synthetic materials. However, their realization on current noisy pre-fault-tolerant…

Graph kernels used to be the dominant approach to feature engineering for structured data, which are superseded by modern GNNs as the former lacks learnability. Recently, a suite of Kernel Convolution Networks (KCNs) successfully…

Machine Learning · Computer Science 2024-02-12 Meng-Chieh Lee , Lingxiao Zhao , Leman Akoglu