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Graph neural networks are currently leading the performance charts in learning-based molecule property prediction and classification. Computational chemistry has, therefore, become the a prominent testbed for generic graph neural networks,…

Machine Learning · Computer Science 2020-02-04 Eliya Nachmani , Lior Wolf

We present the Graph Forward-Forward (GFF) algorithm, an extension of the Forward-Forward procedure to graphs, able to handle features distributed over a graph's nodes. This allows training graph neural networks with forward passes only,…

Machine Learning · Computer Science 2023-02-13 Daniele Paliotta , Mathieu Alain , Bálint Máté , François Fleuret

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Graph Neural Networks (GNNs) have gained popularity in healthcare and other domains due to their ability to process multi-modal and multi-relational graphs. However, efficient training of GNNs remains challenging, with several open research…

Machine Learning · Computer Science 2023-09-13 Víctor Valls , Mykhaylo Zayats , Alessandra Pascale

Graph Neural Networks (GNNs) are widely adopted in Web-related applications, serving as a core technique for learning from graph-structured data, such as text-attributed graphs. Yet in real-world scenarios, such graphs exhibit deficiencies…

Machine Learning · Computer Science 2025-10-03 Zhaoyan Wang , Zheng Gao , Arogya Kharel , In-Young Ko

Training graph neural networks (GNNs) on large graphs is complex and extremely time consuming. This is attributed to overheads caused by sparse matrix multiplication, which are sidestepped when training multi-layer perceptrons (MLPs) with…

Machine Learning · Computer Science 2023-04-11 Xiaotian Han , Tong Zhao , Yozen Liu , Xia Hu , Neil Shah

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile,…

Information Retrieval · Computer Science 2021-12-15 Yiqi Wang , Chaozhuo Li , Zheng Liu , Mingzheng Li , Jiliang Tang , Xing Xie , Lei Chen , Philip S. Yu

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Extensive research has been conducted, over recent years, on various ways of enhancing heuristic search for combinatorial optimization problems with machine learning algorithms. In this study, we investigate the use of predictions from…

Neural and Evolutionary Computing · Computer Science 2022-10-24 Ítalo Santana , Andrea Lodi , Thibaut Vidal

Graph neural networks (GNNs) are a type of neural network capable of learning on graph-structured data. However, training GNNs on large-scale graphs is challenging due to iterative aggregations of high-dimensional features from neighboring…

Machine Learning · Computer Science 2024-09-18 Nikolai Merkel , Pierre Toussing , Ruben Mayer , Hans-Arno Jacobsen

Prediction of consumer behavior is one of the important purposes in marketing, cognitive neuroscience, and human-computer interaction. The electroencephalography (EEG) data can help analyze the decision process by providing detailed…

Artificial Intelligence · Computer Science 2025-10-23 Mohammad Parsa Afshar , Aryan Azimi

Researchers have adopted deep learning for classical discrete choice analysis as it can capture complex feature relationships and achieve higher predictive performance. However, the existing deep learning approaches cannot explicitly…

Machine Learning · Statistics 2026-05-19 Zhanhong Cheng , Lingqian Hu , Yuheng Bu , Yuqi Zhou , Shenhao Wang

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Graph Neural Networks (GNNs) are powerful tools in representation learning for graphs. However, recent studies show that GNNs are vulnerable to carefully-crafted perturbations, called adversarial attacks. Adversarial attacks can easily fool…

Machine Learning · Computer Science 2020-06-30 Wei Jin , Yao Ma , Xiaorui Liu , Xianfeng Tang , Suhang Wang , Jiliang Tang

Neural Algorithmic Reasoning (NAR) research has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. However, most previous approaches have always used a recurrent architecture, where each iteration of…

Machine Learning · Computer Science 2024-10-22 Dobrik Georgiev , JJ Wilson , Davide Buffelli , Pietro Liò

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph class-incremental learning (GCIL) allows graph neural networks (GNNs) to adapt to evolving graph analytical tasks by incrementally learning new class knowledge while retaining knowledge of old classes. Existing GCIL methods primarily…

Machine Learning · Computer Science 2025-07-24 Jiazhen Chen , Zheng Ma , Sichao Fu , Mingbin Feng , Tony S. Wirjanto , Weihua Ou

Deep learning has gained great success in various classification tasks. Typically, deep learning models learn underlying features directly from data, and no underlying relationship between classes are included. Similarity between classes…

Computer Vision and Pattern Recognition · Computer Science 2020-09-28 Xueli Xiao , Chunyan Ji , Thosini Bamunu Mudiyanselage , Yi Pan

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in…

Machine Learning · Computer Science 2022-03-04 Yupeng Hou , Binbin Hu , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou , Ji-Rong Wen

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Zhenghao Liu , Yuan Fang , Zemin Liu , Sihong Chen , Xinming Zhang