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Graph neural networks (GNNs), which are capable of learning representations from graphical data, are naturally suitable for modeling molecular systems. This review introduces GNNs and their various applications for small organic molecules.…

Machine Learning · Computer Science 2023-10-10 Yuyang Wang , Zijie Li , Amir Barati Farimani

Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design new materials, and to predict synthesis routes of new…

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent…

Existing Visual Question Answering (VQA) models have explored various visual relationships between objects in the image to answer complex questions, which inevitably introduces irrelevant information brought by inaccurate object detection…

Computer Vision and Pattern Recognition · Computer Science 2022-04-05 Yuxi Qian , Yuncong Hu , Ruonan Wang , Fangxiang Feng , Xiaojie Wang

Graph Neural Networks (GNNs) have emerged as powerful tools for modeling complex, interconnected data, making them particularly well suited for a wide range of Intelligent Transportation System (ITS) applications. This survey presents the…

Emerging Technologies · Computer Science 2025-11-19 Elham Binshaflout , Aymen Hamrouni , Hakim Ghazzai

As large-scale graphs become more widespread, more and more computational challenges with extracting, processing, and interpreting large graph data are being exposed. It is therefore natural to search for ways to summarize these expansive…

Machine Learning · Computer Science 2024-01-05 Nasrin Shabani , Jia Wu , Amin Beheshti , Quan Z. Sheng , Jin Foo , Venus Haghighi , Ambreen Hanif , Maryam Shahabikargar

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

Methodology · Statistics 2026-05-26 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

Machine Learning · Computer Science 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

Geometric Deep Learning has recently attracted significant interest in a wide range of machine learning fields, including document analysis. The application of Graph Neural Networks (GNNs) has become crucial in various document-related…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Andrea Gemelli , Sanket Biswas , Enrico Civitelli , Josep Lladós , Simone Marinai

The significant increase in world population and urbanisation has brought several important challenges, in particular regarding the sustainability, maintenance and planning of urban mobility. At the same time, the exponential increase of…

Machine Learning · Computer Science 2021-04-28 João Rico , José Barateiro , Arlindo Oliveira

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro

Visual question answering is concerned with answering free-form questions about an image. Since it requires a deep linguistic understanding of the question and the ability to associate it with various objects that are present in the image,…

Machine Learning · Computer Science 2020-07-03 Marcel Hildebrandt , Hang Li , Rajat Koner , Volker Tresp , Stephan Günnemann

Graph neural networks (GNNs) have attracted considerable attention from the research community. It is well established that GNNs are usually roughly divided into spatial and spectral methods. Despite that spectral GNNs play an important…

Machine Learning · Computer Science 2023-02-14 Deyu Bo , Xiao Wang , Yang Liu , Yuan Fang , Yawen Li , Chuan Shi

This paper revisits the bilinear attention networks in the visual question answering task from a graph perspective. The classical bilinear attention networks build a bilinear attention map to extract the joint representation of words in the…

Computer Vision and Pattern Recognition · Computer Science 2020-02-04 Dalu Guo , Chang Xu , Dacheng Tao

Much recent progress in Vision-to-Language problems has been achieved through a combination of Convolutional Neural Networks (CNNs) and Recurrent Neural Networks (RNNs). This approach does not explicitly represent high-level semantic…

Computer Vision and Pattern Recognition · Computer Science 2016-12-19 Qi Wu , Chunhua Shen , Anton van den Hengel , Peng Wang , Anthony Dick

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

One of the hot topics in machine learning is the field of GNN. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph…

Machine Learning · Computer Science 2024-03-22 László Kovács , Ali Jlidi

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin
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