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Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

Machine Learning · Computer Science 2021-09-02 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini

The emergence of Graph Neural Networks (GNNs) in graph data analysis and their deployment on Machine Learning as a Service platforms have raised critical concerns about data misuse during model training. This situation is further…

Machine Learning · Computer Science 2023-12-14 Bang Wu , He Zhang , Xiangwen Yang , Shuo Wang , Minhui Xue , Shirui Pan , Xingliang Yuan

Graph neural networks have achieved state-of-the-art accuracy for graph node classification. However, GNNs are difficult to scale to large graphs, for example frequently encountering out-of-memory errors on even moderate size graphs. Recent…

Machine Learning · Computer Science 2022-10-26 Ziyuan Wang , Feiming Yang , Rui Fan

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

Machine Learning · Computer Science 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik

Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with…

Information Retrieval · Computer Science 2018-06-07 Rex Ying , Ruining He , Kaifeng Chen , Pong Eksombatchai , William L. Hamilton , Jure Leskovec

Graph Neural Networks (GNNs) have exploded onto the machine learning scene in recent years owing to their capability to model and learn from graph-structured data. Such an ability has strong implications in a wide variety of fields whose…

Machine Learning · Computer Science 2021-07-26 Sergi Abadal , Akshay Jain , Robert Guirado , Jorge López-Alonso , Eduard Alarcón

Research on graph representation learning has received great attention in recent years. However, most of the studies so far have focused on the embedding of single-layer graphs. The few studies dealing with the problem of representation…

Machine Learning · Computer Science 2022-06-28 Luca Gallo , Vito Latora , Alfredo Pulvirenti

Automated equipment health monitoring from streaming multisensor time-series data can be used to enable condition-based maintenance, avoid sudden catastrophic failures, and ensure high operational availability. We note that most complex…

Machine Learning · Computer Science 2020-07-01 Jyoti Narwariya , Pankaj Malhotra , Vishnu TV , Lovekesh Vig , Gautam Shroff

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Large networks are becoming a widely used abstraction for studying complex systems in a broad set of disciplines, ranging from social network analysis to molecular biology and neuroscience. Despite an increasing need to analyze and…

Social and Information Networks · Computer Science 2016-06-27 Jure Leskovec , Rok Sosic

Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods,…

Machine Learning · Computer Science 2024-02-20 Ali Behrouz , Farnoosh Hashemi

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

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