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Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

机器学习 · 计算机科学 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

Graph Neural Networks (GNNs), a generalization of neural networks to graph-structured data, are often implemented using message passes between entities of a graph. While GNNs are effective for node classification, link prediction and graph…

机器学习 · 统计学 2020-10-01 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs…

机器学习 · 计算机科学 2020-09-22 Yiren Zhao , Duo Wang , Daniel Bates , Robert Mullins , Mateja Jamnik , Pietro Lio

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

机器学习 · 计算机科学 2024-01-25 Xingtong Yu , Zemin Liu , Yuan Fang , Xinming Zhang

Deep learning methods for graphs achieve remarkable performance across a variety of domains. However, recent findings indicate that small, unnoticeable perturbations of graph structure can catastrophically reduce performance of even the…

机器学习 · 计算机科学 2020-10-29 Xiang Zhang , Marinka Zitnik

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

机器学习 · 计算机科学 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Graph neural networks (GNNs) are naturally distributed architectures for learning representations from network data. This renders them suitable candidates for decentralized tasks. In these scenarios, the underlying graph often changes with…

机器学习 · 计算机科学 2022-08-31 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

机器学习 · 计算机科学 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Graph convolutional networks (GCNs) are powerful deep neural networks for graph-structured data. However, GCN computes the representation of a node recursively from its neighbors, making the receptive field size grow exponentially with the…

机器学习 · 统计学 2018-03-02 Jianfei Chen , Jun Zhu , Le Song

Graph neural networks (GNNs) are popular to use for classifying structured data in the context of machine learning. But surprisingly, they are rarely applied to regression problems. In this work, we adopt GNN for a classic but challenging…

机器学习 · 计算机科学 2021-02-16 Wenzhong Yan , Di Jin , Zhidi Lin , Feng Yin

Graph neural networks (GNNs) learn representations from network data with naturally distributed architectures, rendering them well-suited candidates for decentralized learning. Oftentimes, this decentralized graph support changes with time…

机器学习 · 计算机科学 2020-10-27 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

神经与进化计算 · 计算机科学 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

机器学习 · 计算机科学 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

With the increasing popularity of graph-based learning, Graph Neural Networks (GNNs) win lots of attention from the research and industry field because of their high accuracy. However, existing GNNs suffer from high memory footprints (e.g.,…

机器学习 · 计算机科学 2020-09-17 Boyuan Feng , Yuke Wang , Xu Li , Shu Yang , Xueqiao Peng , Yufei Ding

Graph Convolutional Network (GCN) has exhibited strong empirical performance in many real-world applications. The vast majority of existing works on GCN primarily focus on the accuracy while ignoring how confident or uncertain a GCN is with…

机器学习 · 计算机科学 2022-10-13 Jian Kang , Qinghai Zhou , Hanghang Tong

Parameterized Quantum Circuits (PQCs) are essential to quantum machine learning and optimization algorithms. The expressibility of PQCs, which measures their ability to represent a wide range of quantum states, is a critical factor…

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by…

机器学习 · 计算机科学 2023-04-24 Kuan Li , Yang Liu , Xiang Ao , Jianfeng Chi , Jinghua Feng , Hao Yang , Qing He

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity)…

分子网络 · 定量生物学 2022-05-10 Hanxuan Cai , Huimin Zhang , Duancheng Zhao , Jingxing Wu , Ling Wang

Graph Neural Networks (GNNs) have shown great success in many applications such as recommendation systems, molecular property prediction, traffic prediction, etc. Recently, CPU-FPGA heterogeneous platforms have been used to accelerate many…

分布式、并行与集群计算 · 计算机科学 2021-12-23 Yi-Chien Lin , Bingyi Zhang , Viktor Prasanna

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

统计方法学 · 统计学 2026-05-26 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar