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In this paper, we study using graph neural networks (GNNs) for \textit{multi-node representation learning}, where a representation for a set of more than one node (such as a link) is to be learned. Existing GNNs are mainly designed to learn…

机器学习 · 计算机科学 2025-03-11 Xiyuan Wang , Pan Li , Muhan Zhang

Markov Logic Networks (MLNs), which elegantly combine logic rules and probabilistic graphical models, can be used to address many knowledge graph problems. However, inference in MLN is computationally intensive, making the industrial-scale…

人工智能 · 计算机科学 2020-02-05 Yuyu Zhang , Xinshi Chen , Yuan Yang , Arun Ramamurthy , Bo Li , Yuan Qi , Le Song

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

化学物理 · 物理学 2023-12-22 Junwu Chen , Philippe Schwaller

Unsupervised graph anomaly detection aims at identifying rare patterns that deviate from the majority in a graph without the aid of labels, which is important for a variety of real-world applications. Recent advances have utilized Graph…

机器学习 · 计算机科学 2025-05-27 Yuanchen Bei , Sheng Zhou , Jinke Shi , Yao Ma , Haishuai Wang , Jiajun Bu

Among the many variants of graph neural network (GNN) architectures capable of modeling data with cross-instance relations, an important subclass involves layers designed such that the forward pass iteratively reduces a graph-regularized…

机器学习 · 计算机科学 2025-03-03 Haitian Jiang , Renjie Liu , Zengfeng Huang , Yichuan Wang , Xiao Yan , Zhenkun Cai , Minjie Wang , David Wipf

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

机器学习 · 计算机科学 2022-02-02 Jie Chen , Shouzhen Chen , Mingyuan Bai , Jian Pu , Junping Zhang , Junbin Gao

There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first,…

机器学习 · 计算机科学 2022-04-13 Ines Chami , Sami Abu-El-Haija , Bryan Perozzi , Christopher Ré , Kevin Murphy

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

机器学习 · 计算机科学 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

机器学习 · 计算机科学 2023-09-01 Guanyu Cui , Zhewei Wei

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…

量子物理 · 物理学 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

机器学习 · 统计学 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

机器学习 · 计算机科学 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Since most scientific literature data are unlabeled, this makes unsupervised graph-based semantic representation learning crucial. Therefore, an unsupervised semantic representation learning method of scientific literature based on graph…

信息检索 · 计算机科学 2023-01-31 Hongrui Gao , Yawen Li , Meiyu Liang , Zeli Guan

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

机器学习 · 计算机科学 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

机器学习 · 计算机科学 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

In recent years, unsupervised and self-supervised graph representation learning has gained popularity in the research community. However, most proposed methods are focused on homogeneous networks, whereas real-world graphs often contain…

机器学习 · 计算机科学 2024-02-29 Piotr Bielak , Tomasz Kajdanowicz

Despite the success of Graph Neural Networks (GNNs) on various applications, GNNs encounter significant performance degradation when the amount of supervision signals, i.e., number of labeled nodes, is limited, which is expected as GNNs are…

机器学习 · 计算机科学 2022-04-29 Junseok Lee , Yunhak Oh , Yeonjun In , Namkyeong Lee , Dongmin Hyun , Chanyoung Park

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

机器学习 · 计算机科学 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Graph Neural Networks (GNNs) became useful for learning on non-Euclidean data. However, their best performance depends on choosing the right model architecture and the training objective, also called the loss function. Researchers have…

机器学习 · 计算机科学 2025-06-18 Khushnood Abbas , Ruizhe Hou , Zhou Wengang , Dong Shi , Niu Ling , Satyaki Nan , Alireza Abbasi

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

机器学习 · 计算机科学 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan