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Data imbalance is easily found in annotated data when the observations of certain continuous label values are difficult to collect for regression tasks. When they come to molecule and polymer property predictions, the annotated graph…

Machine Learning · Computer Science 2023-05-23 Gang Liu , Tong Zhao , Eric Inae , Tengfei Luo , Meng Jiang

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph-based Semi-Supervised Learning (SSL) aims to transfer the labels of a handful of labeled data to the remaining massive unlabeled data via a graph. As one of the most popular graph-based SSL approaches, the recently proposed Graph…

Machine Learning · Computer Science 2020-09-22 Sheng Wan , Shirui Pan , Jian Yang , Chen Gong

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

Machine Learning · Computer Science 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister

Large Language Models (LLMs) have shown strong performance on text-attributed graphs (TAGs) due to their superior semantic understanding ability on textual node features. However, their effectiveness as predictors in the low-resource…

Machine Learning · Computer Science 2026-04-13 Ruiyao Xu , Kaize Ding

Heterogeneous graphs (HGs) are composed of multiple types of nodes and edges, making it more effective in capturing the complex relational structures inherent in the real world. However, in real-world scenarios, labeled data is often…

Machine Learning · Computer Science 2025-08-20 Ruobing Jiang , Yacong Li , Haobing Liu , Yanwei Yu

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…

Machine Learning · Computer Science 2025-03-11 Xiyuan Wang , Pan Li , Muhan Zhang

Self-supervised learning is currently gaining a lot of attention, as it allows neural networks to learn robust representations from large quantities of unlabeled data. Additionally, multi-task learning can further improve representation…

Machine Learning · Computer Science 2020-12-07 Franco Manessi , Alessandro Rozza

Deep learning on graphs has attracted significant interests recently. However, most of the works have focused on (semi-) supervised learning, resulting in shortcomings including heavy label reliance, poor generalization, and weak…

Machine Learning · Computer Science 2022-05-05 Yixin Liu , Ming Jin , Shirui Pan , Chuan Zhou , Yu Zheng , Feng Xia , Philip S. Yu

Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a…

Machine Learning · Computer Science 2017-03-16 Thang D. Bui , Sujith Ravi , Vivek Ramavajjala

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Semi-supervised learning (SSL) is effectively used for numerous classification problems, thanks to its ability to make use of abundant unlabeled data. The main assumption of various SSL algorithms is that the nearby points on the data…

Machine Learning · Computer Science 2019-09-30 Xuan Wu , Lingxiao Zhao , Leman Akoglu

Recent works show that Graph Neural Networks (GNNs) are highly non-robust with respect to adversarial attacks on both the graph structure and the node attributes, making their outcomes unreliable. We propose the first method for certifiable…

Machine Learning · Computer Science 2019-07-01 Daniel Zügner , Stephan Günnemann

Graphs have become increasingly popular in modeling structures and interactions in a wide variety of problems during the last decade. Graph-based clustering and semi-supervised classification techniques have shown impressive performance.…

Machine Learning · Computer Science 2020-09-01 Zhao Kang , Chong Peng , Qiang Cheng , Xinwang Liu , Xi Peng , Zenglin Xu , Ling Tian

Graph Neural Networks (GNNs) require a relatively large number of labeled nodes and a reliable/uncorrupted graph connectivity structure in order to obtain good performance on the semi-supervised node classification task. The performance of…

Machine Learning · Computer Science 2021-07-01 Abdullah Alchihabi , Yuhong Guo

Graphs are growing rapidly, along with the number of distinct label categories associated with them. Applications like e-commerce, healthcare, recommendation systems, and various social media platforms are rapidly moving towards graph…

Artificial Intelligence · Computer Science 2025-04-08 Aditya Hemant Shahane , Prathosh A. P , Sandeep Kumar

In the literature, most existing graph-based semi-supervised learning (SSL) methods only use the label information of observed samples in the label propagation stage, while ignoring such valuable information when learning the graph. In this…

Computer Vision and Pattern Recognition · Computer Science 2017-02-14 Liansheng Zhuang , Zihan Zhou , Jingwen Yin , Shenghua Gao , Zhouchen Lin , Yi Ma , Nenghai Yu

This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the…

Machine Learning · Computer Science 2024-06-19 Yi Fang , Dongzhe Fan , Daochen Zha , Qiaoyu Tan

Recently, contrastiveness-based augmentation surges a new climax in the computer vision domain, where some operations, including rotation, crop, and flip, combined with dedicated algorithms, dramatically increase the model generalization…

Computer Vision and Pattern Recognition · Computer Science 2022-05-23 Han Yue , Chunhui Zhang , Chuxu Zhang , Hongfu Liu

Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the…

Machine Learning · Computer Science 2021-04-20 Han Yang , Xiao Yan , Xinyan Dai , Yongqiang Chen , James Cheng