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Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Machine Learning · Computer Science 2022-04-19 Stefanie Jegelka

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

Convolutional Neural Networks (CNNs) achieve impressive performance in a wide variety of fields. Their success benefited from a massive boost when very deep CNN models were able to be reliably trained. Despite their merits, CNNs fail to…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Guohao Li , Matthias Müller , Ali Thabet , Bernard Ghanem

Graph Neural Networks (GNNs) have achieved significant success across various applications. However, their complex structures and inner workings can be challenging for non-AI experts to understand. To address this issue, this study presents…

Human-Computer Interaction · Computer Science 2025-12-18 Yilin Lu , Chongwei Chen , Yuxin Chen , Kexin Huang , Marinka Zitnik , Qianwen Wang

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…

Numerical Analysis · Mathematics 2023-10-24 Nicholas S. Moore , Eric C. Cyr , Peter Ohm , Christopher M. Siefert , Raymond S. Tuminaro

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

Machine Learning · Computer Science 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Graph Convolutional Networks (GCNs) have shown very powerful for graph data representation and learning tasks. Existing GCNs usually conduct feature aggregation on a fixed neighborhood graph in which each node computes its representation by…

Computer Vision and Pattern Recognition · Computer Science 2019-11-21 Bo Jiang , Beibei Wang , Jin Tang , Bin Luo

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

Machine Learning · Computer Science 2025-08-05 Jesse He , Akbar Rafiey , Gal Mishne , Yusu Wang

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…

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

Convolutional neural networks (CNNs) have achieved superior accuracy in many visual related tasks. However, the inference process through intermediate layers is opaque, making it difficult to interpret such networks or develop trust in…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Yael Konforti , Alon Shpigler , Boaz Lernerand Aharon Bar-Hillel

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

Deep learning models for natural language processing (NLP) are inherently complex and often viewed as black box in nature. This paper develops an approach for interpreting convolutional neural networks for text classification problems by…

Computation and Language · Computer Science 2021-07-12 Wei Zhao , Rahul Singh , Tarun Joshi , Agus Sudjianto , Vijayan N. Nair

Graph neural networks (GNNs) have emerged as a powerful tool for nonlinear processing of graph signals, exhibiting success in recommender systems, power outage prediction, and motion planning, among others. GNNs consists of a cascade of…

Machine Learning · Computer Science 2020-12-02 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Superior performance and ease of implementation have fostered the adoption of Convolutional Neural Networks (CNNs) for a wide array of inference and reconstruction tasks. CNNs implement three basic blocks: convolution, pooling and pointwise…

Machine Learning · Computer Science 2018-03-07 Fernando Gama , Antonio G. Marques , Alejandro Ribeiro , Geert Leus

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Graph Convolutional Network (GCN) has achieved great success and has been applied in various fields including recommender systems. However, GCN still suffers from many issues such as training difficulties, over-smoothing, vulnerable to…

Information Retrieval · Computer Science 2020-05-01 Shaowen Peng , Tsunenori Mine