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Graphs have become a crucial way to represent large, complex and often temporal datasets across a wide range of scientific disciplines. However, when graphs are used as input to machine learning models, this rich temporal information is…

In recent years, graph neural networks (GNNs) combined with variants of recurrent neural networks (RNNs) have reached state-of-the-art performance in spatiotemporal forecasting tasks. This is particularly the case for traffic forecasting,…

Machine Learning · Computer Science 2022-09-09 Naghmeh Shafiee Roudbari , Zachary Patterson , Ursula Eicker , Charalambos Poullis

In this paper, we present XST-GCNN (eXplainable Spatio-Temporal Graph Convolutional Neural Network), a novel architecture for processing heterogeneous and irregular Multivariate Time Series (MTS) data. Our approach captures temporal and…

Machine Learning · Computer Science 2024-11-05 Óscar Escudero-Arnanz , Cristina Soguero-Ruiz , Antonio G. Marques

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 data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong

Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

Machine Learning · Computer Science 2023-08-15 Andrea Apicella , Francesco Isgrò , Andrea Pollastro , Roberto Prevete

Graph neural networks (GNNs) have emerged as the standard method for numerous tasks on graph-structured data such as node classification. However, real-world graphs are often evolving over time and even new classes may arise. We model these…

Machine Learning · Computer Science 2021-12-21 Lukas Galke , Benedikt Franke , Tobias Zielke , Ansgar Scherp

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Computational Physics · Physics 2026-01-05 Jian Chang , Shuze Zhu

While convolutional neural networks (CNNs) have recently made great strides in supervised classification of data structured on a grid (e.g. images composed of pixel grids), in several interesting datasets, the relations between features can…

Machine Learning · Computer Science 2018-11-02 Shrey Gadiya , Deepak Anand , Amit Sethi

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Transparent models, which provide inherently interpretable predictions, are receiving significant attention in high-stakes domains. However, despite much real-world data being collected as time series, there is a lack of studies on…

Machine Learning · Computer Science 2025-12-17 Minkyu Kim , Suan Lee , Jinho Kim

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Deep Recurrent Neural Network architectures, though remarkably capable at modeling sequences, lack an intuitive high-level spatio-temporal structure. That is while many problems in computer vision inherently have an underlying high-level…

Computer Vision and Pattern Recognition · Computer Science 2016-04-12 Ashesh Jain , Amir R. Zamir , Silvio Savarese , Ashutosh Saxena

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Machine Learning · Computer Science 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Machine Learning · Computer Science 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

Graph-structured data are pervasive across domains including social networks, biological networks, and knowledge graphs. Due to their non-Euclidean nature, such data pose significant challenges to conventional machine learning methods. This…

Machine Learning · Computer Science 2025-07-29 Yihan Wang , Jianing Zhao

Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks…

Machine Learning · Computer Science 2021-02-03 Veronika Thost , Jie Chen