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Space-time graph neural networks (ST-GNNs) are recently developed architectures that learn efficient graph representations of time-varying data. ST-GNNs are particularly useful in multi-agent systems, due to their stability properties and…

Machine Learning · Computer Science 2022-10-31 Samar Hadou , Charilaos Kanatsoulis , Alejandro Ribeiro

Nested logit (NL) has been commonly used for discrete choice analysis, including a wide range of applications such as travel mode choice, automobile ownership, or location decisions. However, the classical NL models are restricted by their…

Machine Learning · Statistics 2025-09-10 Yuqi Zhou , Zhanhong Cheng , Lingqian Hu , Yuheng Bu , Shenhao Wang

Graph Neural Network (GNN) is a powerful model to learn representations and make predictions on graph data. Existing efforts on GNN have largely defined the graph convolution as a weighted sum of the features of the connected nodes to form…

Machine Learning · Computer Science 2020-06-02 Hongmin Zhu , Fuli Feng , Xiangnan He , Xiang Wang , Yan Li , Kai Zheng , Yongdong Zhang

Accurate traffic forecasting, the foundation of intelligent transportation systems (ITS), has never been more significant than nowadays due to the prosperity of smart cities and urban computing. Recently, Graph Neural Network truly…

Machine Learning · Computer Science 2022-05-18 Jiabin Tang , Tang Qian , Shijing Liu , Shengdong Du , Jie Hu , Tianrui Li

We introduce space-time graph neural network (ST-GNN), a novel GNN architecture, tailored to jointly process the underlying space-time topology of time-varying network data. The cornerstone of our proposed architecture is the composition of…

Machine Learning · Computer Science 2022-01-25 Samar Hadou , Charilaos I. Kanatsoulis , Alejandro Ribeiro

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

We propose a Graph Neural Network (GNN)-based approach for Handwritten Mathematical Expression (HME) recognition by modeling HMEs as graphs, where nodes represent symbols and edges capture spatial dependencies. A deep BLSTM network is used…

Computer Vision and Pattern Recognition · Computer Science 2025-11-05 Cuong Tuan Nguyen , Ngoc Tuan Nguyen , Triet Hoang Minh Dao , Huy Minh Nhat , Huy Truong Dinh

Textual Attributed Graphs (TAGs) are crucial for modeling complex real-world systems, yet leveraging large language models (LLMs) for TAGs presents unique challenges due to the gap between sequential text processing and graph-structured…

Machine Learning · Computer Science 2025-05-09 Zhengyu Hu , Yichuan Li , Zhengyu Chen , Jingang Wang , Han Liu , Kyumin Lee , Kaize Ding

In many different fields interactions between objects play a critical role in determining their behavior. Graph neural networks (GNNs) have emerged as a powerful tool for modeling interactions, although often at the cost of adding…

Computer Vision and Pattern Recognition · Computer Science 2022-06-09 Zhaoen Su , Chao Wang , David Bradley , Carlos Vallespi-Gonzalez , Carl Wellington , Nemanja Djuric

Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture…

Machine Learning · Computer Science 2021-06-02 Fangda Gu , Heng Chang , Wenwu Zhu , Somayeh Sojoudi , Laurent El Ghaoui

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

We propose ArtSAGENet, a novel multimodal architecture that integrates Graph Neural Networks (GNNs) and Convolutional Neural Networks (CNNs), to jointly learn visual and semantic-based artistic representations. First, we illustrate the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Athanasios Efthymiou , Stevan Rudinac , Monika Kackovic , Marcel Worring , Nachoem Wijnberg

Recently, graph convolutional network (GCN) has been widely used for semi-supervised classification and deep feature representation on graph-structured data. However, existing GCN generally fails to consider the local invariance constraint…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Bo Jiang , Doudou Lin

Graph Neural Networks (GNNs) are efficient approaches to process graph-structured data. Modelling long-distance node relations is essential for GNN training and applications. However, conventional GNNs suffer from bad performance in…

Machine Learning · Computer Science 2020-05-19 Deli Chen , Xiaoqian Liu , Yankai Lin , Peng Li , Jie Zhou , Qi Su , Xu Sun

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Machine Learning · Computer Science 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

The optimization of structural parameters, such as mass(m), stiffness(k), and damping coefficient(c), is critical for designing efficient, resilient, and stable structures. Conventional numerical approaches, including Finite Element Method…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Sagnik Mukherjee , Indrajit Barua
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