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Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Despite recent advances in achieving fair representations and predictions through regularization, adversarial debiasing, and contrastive learning in graph neural networks (GNNs), the working mechanism (i.e., message passing) behind GNNs…

Machine Learning · Computer Science 2022-02-10 Zhimeng Jiang , Xiaotian Han , Chao Fan , Zirui Liu , Na Zou , Ali Mostafavi , Xia Hu

Traditional Graph Neural Networks (GNNs) rely on message passing, which amounts to permutation-invariant local aggregation of neighbour features. Such a process is isotropic and there is no notion of `direction' on the graph. We present a…

Machine Learning · Computer Science 2022-05-03 Ahmed A. A. Elhag , Gabriele Corso , Hannes Stärk , Michael M. Bronstein

Multi-robot systems such as swarms of aerial robots are naturally suited to offer additional flexibility, resilience, and robustness in several tasks compared to a single robot by enabling cooperation among the agents. To enhance the…

Robotics · Computer Science 2022-01-25 Yang Zhou , Jiuhong Xiao , Yue Zhou , Giuseppe Loianno

Malicious software (malware) poses an increasing threat to the security of communication systems as the number of interconnected mobile devices increases exponentially. While some existing malware detection and classification approaches…

Machine Learning · Computer Science 2021-06-07 Julian Busch , Anton Kocheturov , Volker Tresp , Thomas Seidl

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Early detection of faults is of importance to avoid catastrophic accidents and ensure safe operation of machinery. A novel graph neural network-based fault detection method is proposed to build a bridge between AI and real-world running…

Machine Learning · Computer Science 2022-04-26 Xusheng Du , Jiong Yu

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

This paper is devoted to signal processing on point-clouds by means of neural networks. Nowadays, state-of-the-art in image processing and computer vision is mostly based on training deep convolutional neural networks on large datasets.…

Machine Learning · Computer Science 2021-04-06 Amitoz Azad , Julien Rabin , Abderrahim Elmoataz

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

Machine Learning · Computer Science 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Graph coarsening aims to reduce the size of a large graph while preserving some of its key properties, which has been used in many applications to reduce computational load and memory footprint. For instance, in graph machine learning,…

Machine Learning · Computer Science 2024-05-29 Antonin Joly , Nicolas Keriven

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data. In addition to real-valued GNNs, quaternion GNNs also perform well on tasks on graph-structured data. With the aim of…

Machine Learning · Computer Science 2025-03-03 Rucha Bhalchandra Joshi , Sagar Prakash Barad , Nidhi Tiwari , Subhankar Mishra

Finding the most likely (MAP) configuration of a Markov random field (MRF) is NP-hard in general. A promising, recent technique is to reduce the problem to finding a maximum weight stable set (MWSS) on a derived weighted graph, which if…

Artificial Intelligence · Computer Science 2013-09-27 Adrian Weller , Tony S. Jebara

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected.…

Machine Learning · Computer Science 2021-12-16 Aneesh Komanduri , Justin Zhan

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become…

Neurons and Cognition · Quantitative Biology 2022-05-25 Yanqiao Zhu , Hejie Cui , Lifang He , Lichao Sun , Carl Yang

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

This paper presents a new Graph Neural Network (GNN) type using feature-wise linear modulation (FiLM). Many standard GNN variants propagate information along the edges of a graph by computing "messages" based only on the representation of…

Machine Learning · Computer Science 2020-06-29 Marc Brockschmidt

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu