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We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…

机器学习 · 计算机科学 2021-12-03 Xiang Gao , Wei Hu , Guo-Jun Qi

In the power system, security assessment (SA) plays a pivotal role in determining the safe operation in a normal situation and some contingencies scenarios. Electrical variables as input variables of the model are mainly considered to…

系统与控制 · 电气工程与系统科学 2023-01-31 Mojtaba Dezvarei , Kevin Tomsovic , Jinyuan Stella Sun , Seddik M. Djouadi

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

机器学习 · 计算机科学 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

机器学习 · 计算机科学 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

机器学习 · 计算机科学 2025-02-05 Jianming Huang , Hiroyuki Kasai

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

机器学习 · 计算机科学 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

2. In Section 3, we used some vague statements to affirm the training process of the neural network, which cannot support others to reproduce the results of the paper. In addition, this section does not show the difference between this…

最优化与控制 · 数学 2020-07-01 Liang Xue , Jie Liu , Guilin Wen , Hongxin Wang

Subgraph classification is an emerging field in graph representation learning where the task is to classify a group of nodes (i.e., a subgraph) within a graph. Subgraph classification has applications such as predicting the cellular…

机器学习 · 计算机科学 2023-04-19 Shweta Ann Jacob , Paul Louis , Amirali Salehi-Abari

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

机器学习 · 计算机科学 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

We study the problem of embedding edgeless nodes such as users who newly enter the underlying network, while using graph neural networks (GNNs) widely studied for effective representation learning of graphs. Our study is motivated by the…

社会与信息网络 · 计算机科学 2022-11-01 Yong-Min Shin , Cong Tran , Won-Yong Shin , Xin Cao

Graph neural networks have demonstrated excellent applicability to a wide range of domains, including social networks, biological systems, recommendation systems, and wireless communications. Yet a principled theoretical understanding of…

机器学习 · 计算机科学 2026-04-14 Xinping Yi

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

机器学习 · 计算机科学 2022-05-23 Davide Buffelli , Fabio Vandin

Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

机器学习 · 计算机科学 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can…

机器学习 · 计算机科学 2022-06-20 Wentao Zhang , Zeang Sheng , Mingyu Yang , Yang Li , Yu Shen , Zhi Yang , Bin Cui

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

机器学习 · 计算机科学 2024-02-13 Lorenzo Giusti

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

机器学习 · 计算机科学 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

机器学习 · 计算机科学 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become…

神经元与认知 · 定量生物学 2022-05-25 Yanqiao Zhu , Hejie Cui , Lifang He , Lichao Sun , Carl Yang