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Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node…

Machine Learning · Computer Science 2020-09-30 Mengyue Hang , Jennifer Neville , Bruno Ribeiro

Graph Convolutional Networks (GCNs) have been successfully applied to analyze non-grid data, where the classical convolutional neural networks (CNNs) cannot be directly used. One similarity shared by GCNs and CNNs is the requirement of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-04 Qikui Zhu , Bo Du , Pingkun Yan

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

Machine Learning · Computer Science 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri

Multiplex networks are complex graph structures in which a set of entities are connected to each other via multiple types of relations, each relation representing a distinct layer. Such graphs are used to investigate many complex…

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Unsupervised Multiplex Graph Learning (UMGL) aims to learn node representations on various edge types without manual labeling. However, existing research overlooks a key factor: the reliability of the graph structure. Real-world data often…

Machine Learning · Computer Science 2024-09-27 Zhixiang Shen , Shuo Wang , Zhao Kang

Recent progress in Graph Neural Networks (GNNs) has greatly enhanced the ability to model complex molecular structures for predicting properties. Nevertheless, molecular data encompasses more than just graph structures, including textual…

Machine Learning · Computer Science 2024-06-04 Junjie Xu , Zongyu Wu , Minhua Lin , Xiang Zhang , Suhang Wang

This work studies ensemble learning for graph neural networks (GNNs) under the popular semi-supervised setting. Ensemble learning has shown superiority in improving the accuracy and robustness of traditional machine learning by combining…

Machine Learning · Computer Science 2024-05-07 Xin Zhang , Daochen Zha , Qiaoyu Tan

Graph-based semi-supervised node classification (GraphSSC) has wide applications, ranging from networking and security to data mining and machine learning, etc. However, existing centralized GraphSSC methods are impractical to solve many…

Machine Learning · Computer Science 2020-12-09 Binghui Wang , Ang Li , Hai Li , Yiran Chen

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li

Inferring synaptic connectivity from neural population activity is a fundamental challenge in computational neuroscience, complicated by partial observability and mismatches between inference models and true circuit dynamics. In this study,…

Neurons and Cognition · Quantitative Biology 2025-10-28 Kijung Yoon

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Recently, ''pre-training and fine-tuning'' has been adopted as a standard workflow for many graph tasks since it can take general graph knowledge to relieve the lack of graph annotations from each application. However, graph tasks with node…

Social and Information Networks · Computer Science 2023-12-19 Xiangguo Sun , Hong Cheng , Jia Li , Bo Liu , Jihong Guan

Graph neural networks (GNNs) are able to achieve promising performance on multiple graph downstream tasks such as node classification and link prediction. Comparatively lesser work has been done to design GNNs which can operate directly for…

Social and Information Networks · Computer Science 2021-10-20 Sambaran Bandyopadhyay , Vishal Peter

Neural fields (NeFs) have recently emerged as a state-of-the-art method for encoding spatio-temporal signals of various modalities. Despite the success of NeFs in reconstructing individual signals, their use as representations in downstream…

Machine Learning · Computer Science 2024-12-13 Miltiadis Kofinas , Samuele Papa , Efstratios Gavves

Graph convolutional network (GCN) provides a powerful means for graph-based semi-supervised tasks. However, as a localized first-order approximation of spectral graph convolution, the classic GCN can not take full advantage of unlabeled…

Machine Learning · Computer Science 2018-09-27 Yawei Luo , Tao Guan , Junqing Yu , Ping Liu , Yi Yang

Graph-based methods have been demonstrated as one of the most effective approaches for semi-supervised learning, as they can exploit the connectivity patterns between labeled and unlabeled data samples to improve learning performance.…

Machine Learning · Computer Science 2019-07-01 Qimai Li , Xiao-Ming Wu , Han Liu , Xiaotong Zhang , Zhichao Guan

Graph Neural Networks (GNNs) learn low dimensional representations of nodes by aggregating information from their neighborhood in graphs. However, traditional GNNs suffer from two fundamental shortcomings due to their local ($l$-hop…

Machine Learning · Computer Science 2021-04-28 Kashob Kumar Roy , Amit Roy , A K M Mahbubur Rahman , M Ashraful Amin , Amin Ahsan Ali

The development of self-supervised graph pre-training methods is a crucial ingredient in recent efforts to design robust graph foundation models (GFMs). Structure-based pre-training methods are under-explored yet crucial for downstream…

Machine Learning · Computer Science 2025-11-11 Howard Dai , Nyambura Njenga , Hiren Madhu , Siddharth Viswanath , Ryan Pellico , Ian Adelstein , Smita Krishnaswamy
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