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In this paper, we propose another version of help-training approach by employing a Probabilistic Neural Network (PNN) that improves the performance of the main discriminative classifier in the semi-supervised strategy. We introduce the…

Machine Learning · Computer Science 2015-09-07 Hamidreza Farhidzadeh

The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning models like graph neural networks (GNNs), have shown…

Chemical Physics · Physics 2021-12-06 Zaixi Zhang , Qi Liu , Shengyu Zhang , Chang-Yu Hsieh , Liang Shi , Chee-Kong Lee

While graph neural networks (GNNs) have become the de-facto standard for graph-based node classification, they impose a strong assumption on the availability of sufficient labeled samples. This assumption restricts the classification…

Machine Learning · Computer Science 2025-02-06 Zhenzhong Wang , Qingyuan Zeng , Wanyu Lin , Min Jiang , Kay Chen Tan

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Convolutional Neural Networks (CNNs) have shown remarkable performance in general object recognition tasks. In this paper, we propose a new model called EnsNet which is composed of one base CNN and multiple Fully Connected SubNetworks…

Machine Learning · Computer Science 2023-07-19 Daiki Hirata , Norikazu Takahashi

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance…

Molecular Networks · Quantitative Biology 2023-05-16 Ziyuan Zhao , Peisheng Qian , Xulei Yang , Zeng Zeng , Cuntai Guan , Wai Leong Tam , Xiaoli Li

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Ensemble learning, the machine learning paradigm where multiple algorithms are combined, has exhibited promising perfomance in a variety of tasks. The present work focuses on unsupervised ensemble classification. The term unsupervised…

Machine Learning · Computer Science 2020-12-22 Panagiotis A. Traganitis , Georgios B. Giannakis

Graph neural networks (GNNs) have been attracting increasing popularity due to their simplicity and effectiveness in a variety of fields. However, a large number of labeled data is generally required to train these networks, which could be…

Machine Learning · Computer Science 2020-10-26 Shengding Hu , Zheng Xiong , Meng Qu , Xingdi Yuan , Marc-Alexandre Côté , Zhiyuan Liu , Jian Tang

The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings. Building on previous work, we theoretically show that edGNN, our model for…

Machine Learning · Computer Science 2019-12-05 Guillaume Jaume , An-phi Nguyen , María Rodríguez Martínez , Jean-Philippe Thiran , Maria Gabrani

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…

Machine Learning · Computer Science 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

In recent years, graph neural networks (GNN) have achieved significant developments in a variety of graph analytical tasks. Nevertheless, GNN's superior performance will suffer from serious damage when the collected node features or…

Machine Learning · Computer Science 2023-09-07 Sichao Fu , Qinmu Peng , Yang He , Baokun Du , Xinge You

In recent years, graph neural networks (GNNs) have facilitated the development of graph data mining. However, training GNNs requires sufficient labeled task-specific data, which is expensive and sometimes unavailable. To be less dependent…

Machine Learning · Computer Science 2025-10-15 Shengyin Sun , Chen Ma , Jiehao Chen

Transductive graph-based semi-supervised learning methods usually build an undirected graph utilizing both labeled and unlabeled samples as vertices. Those methods propagate label information of labeled samples to neighbors through their…

Machine Learning · Computer Science 2013-12-25 Fengqi Li , Chuang Yu , Nanhai Yang , Feng Xia , Guangming Li , Fatemeh Kaveh-Yazdy

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Semi-supervised node classification in attributed graphs, i.e., graphs with node features, involves learning to classify unlabeled nodes given a partially labeled graph. Label predictions are made by jointly modeling the node and its'…

Machine Learning · Computer Science 2018-09-24 Priyesh Vijayan , Yash Chandak , Mitesh M. Khapra , Srinivasan Parthasarathy , Balaraman Ravindran

Recent years have witnessed the success of heterogeneous graph neural networks (HGNNs) in modeling heterogeneous information networks (HINs). In this paper, we focus on the benchmark task of HGNNs, i.e., node classification, and empirically…

Social and Information Networks · Computer Science 2023-04-04 Cheng Yang , Xumeng Gong , Chuan Shi , Philip S. Yu