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We present a novel learning-based approach to graph representations of road networks employing state-of-the-art graph convolutional neural networks. Our approach is applied to realistic road networks of 17 cities from Open Street Map. While…

Machine Learning · Computer Science 2022-06-07 Zahra Gharaee , Shreyas Kowshik , Oliver Stromann , Michael Felsberg

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

We propose a novel application of graph attention networks (GATs), a type of graph neural network enhanced with attention mechanisms, to develop a deep learning algorithm for detecting collusive behavior, leveraging predictive features…

Econometrics · Economics 2025-07-18 David Imhof , Emanuel W Viklund , Martin Huber

While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph…

Machine Learning · Computer Science 2023-10-26 Nimrah Mustafa , Aleksandar Bojchevski , Rebekka Burkholz

Introduction: To leverage functionality and clinical relevance into understanding systems biology, one needs to understand the pathway of the genetic effects on risk factors/disease through intermediate molecular levels, such as…

Genomics · Quantitative Biology 2018-09-14 Azam Yazdani , Akram Yazdani , Philip L. Lorenzi , Ahmad Samiei

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Despite impressive advancements in Autonomous Driving Systems (ADS), navigation in complex road conditions remains a challenging problem. There is considerable evidence that evaluating the subjective risk level of various decisions can…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Shih-Yuan Yu , Arnav V. Malawade , Deepan Muthirayan , Pramod P. Khargonekar , Mohammad A. Al Faruque

Metabolic networks, formed by a series of metabolic pathways, are made of intracellular and extracellular reactions that determine the biochemical properties of a cell, and by a set of interactions that guide and regulate the activity of…

Logic in Computer Science · Computer Science 2020-08-24 Jean-Marc Alliot , Marta Cialdea Mayer , Robert Demolombe , Martín Diéguez , Luis Fariñas del Cerro

Graph convolution networks (GCNs) have achieved remarkable performance in skeleton-based action recognition. However, previous GCN-based methods rely on elaborate human priors excessively and construct complex feature aggregation…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Shaojie Zhang , Jianqin Yin , Yonghao Dang , Jiajun Fu

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Accurately modelling human attention is essential for numerous computer vision applications, particularly in the domain of automotive safety. Existing methods typically collapse gaze into saliency maps or scanpaths, treating gaze dynamics…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Luke Palmer , Petar Palasek , Hazem Abdelkawy

High-throughput screening (HTS) is useful for evaluating chemicals for potential human health risks. However, given the extraordinarily large number of genes, assay endpoints, and chemicals of interest, available data are sparse, with…

We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

Machine Learning · Computer Science 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

As urban environments grow, the modelling of transportation systems becomes increasingly complex. This paper advances the field of travel demand modelling by introducing advanced Graph Neural Network (GNN) architectures as surrogate models,…

Machine Learning · Computer Science 2025-03-21 Nikita Makarov , Santhanakrishnan Narayanan , Constantinos Antoniou

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Computer Vision and Pattern Recognition · Computer Science 2021-11-18 He Liu , Tao Wang , Yidong Li , Congyan Lang , Yi Jin , Haibin Ling

Gene selection in high-dimensional genomic data is essential for understanding disease mechanisms and improving therapeutic outcomes. Traditional feature selection methods effectively identify predictive genes but often ignore complex…

Machine Learning · Computer Science 2025-06-02 Ehtesamul Azim , Dongjie Wang , Tae Hyun Hwang , Yanjie Fu , Wei Zhang

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Machine Learning · Computer Science 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel
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