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It is a usual practice to ignore any structural information underlying classes in multi-class classification. In this paper, we propose a graph convolutional network (GCN) augmented neural network classifier to exploit a known, underlying…

机器学习 · 计算机科学 2018-02-23 Meihao Chen , Zhuoru Lin , Kyunghyun Cho

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

机器学习 · 计算机科学 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

机器学习 · 计算机科学 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

机器学习 · 计算机科学 2023-08-28 Yingxia Shao , Hongzheng Li , Xizhi Gu , Hongbo Yin , Yawen Li , Xupeng Miao , Wentao Zhang , Bin Cui , Lei Chen

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Many real-world data come in the form of graphs. Graph neural networks (GNNs), a new family of machine learning (ML) models, have been proposed to fully leverage graph data to build powerful applications. In particular, the inductive GNNs,…

密码学与安全 · 计算机科学 2021-12-16 Yun Shen , Xinlei He , Yufei Han , Yang Zhang

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…

计算与语言 · 计算机科学 2025-07-11 Fardin Rastakhiz

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods,…

机器学习 · 计算机科学 2024-02-20 Ali Behrouz , Farnoosh Hashemi

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

机器学习 · 计算机科学 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

Graph structured data, specifically text-attributed graphs (TAG), effectively represent relationships among varied entities. Such graphs are essential for semi-supervised node classification tasks. Graph Neural Networks (GNNs) have emerged…

机器学习 · 计算机科学 2024-04-18 Kaiwen Dong , Zhichun Guo , Nitesh V. Chawla

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.…

机器学习 · 计算机科学 2022-04-12 Anuroop Sriram , Abhishek Das , Brandon M. Wood , Siddharth Goyal , C. Lawrence Zitnick

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

机器学习 · 计算机科学 2021-02-01 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

We study a recent class of models which uses graph neural networks (GNNs) to improve forecasting in multivariate time series. The core assumption behind these models is that there is a latent graph between the time series (nodes) that…

Graph Neural Networks (GNNs) have emerged as powerful tools for analyzing and learning representations from graph-structured data. A crucial prerequisite for the outstanding performance of GNNs is the availability of complete graph…

机器学习 · 计算机科学 2024-08-12 Peng Yuan , Peng Tang

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

机器学习 · 统计学 2025-08-26 Michela Lapenna , Caterina De Bacco

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

机器学习 · 计算机科学 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Handling heterogeneous data in tabular datasets poses a significant challenge for deep learning models. While attention-based architectures and self-supervised learning have achieved notable success, their application to tabular data…

机器学习 · 计算机科学 2025-02-27 Anay Majee , Maria Xenochristou , Wei-Peng Chen

Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better…

机器学习 · 计算机科学 2026-05-21 André Ribeiro , Ana Luiza Tenório , Tiago da Silva , Diego Mesquita

Graph neural networks (GNNs) have emerged as a powerful tool for learning software engineering tasks including code completion, bug finding, and program repair. They benefit from leveraging program structure like control flow graphs, but…

机器学习 · 计算机科学 2020-10-27 David Bieber , Charles Sutton , Hugo Larochelle , Daniel Tarlow

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

机器学习 · 计算机科学 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas
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