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Graph Neural Networks (GNNs), which aggregate features from neighbors, are widely used for graph-structured data processing due to their powerful representation learning capabilities. It is generally believed that GNNs can implicitly remove…

Machine Learning · Computer Science 2022-09-30 Songtao Liu , Rex Ying , Hanze Dong , Lu Lin , Jinghui Chen , Dinghao Wu

It is frequently observed that overparameterized neural networks generalize well. Regarding such phenomena, existing theoretical work mainly devotes to linear settings or fully-connected neural networks. This paper studies the learning…

Machine Learning · Statistics 2023-08-17 Tian-Yi Zhou , Xiaoming Huo

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

Machine Learning · Computer Science 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

Machine Learning · Computer Science 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

Deep learning has shown promising results on many machine learning tasks but DL models are often complex networks with large number of neurons and layers, and recently, complex layer structures known as building blocks. Finding the best…

Machine Learning · Computer Science 2018-01-29 Jayanta K Dutta , Jiayi Liu , Unmesh Kurup , Mohak Shah

Our theoretical understanding of deep learning has not kept pace with its empirical success. While network architecture is known to be critical, we do not yet understand its effect on learned representations and network behavior, or how…

Machine Learning · Computer Science 2022-07-22 Andrew M. Saxe , Shagun Sodhani , Sam Lewallen

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

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

Graph convolutional learning has led to many exciting discoveries in diverse areas. However, in some applications, traditional graphs are insufficient to capture the structure and intricacies of the data. In such scenarios, multigraphs…

Machine Learning · Computer Science 2023-04-26 Landon Butler , Alejandro Parada-Mayorga , Alejandro Ribeiro

Deep neural networks are powerful learning models that achieve state-of-the-art performance on many computer vision, speech, and language processing tasks. In this paper, we study a fundamental question that arises when designing deep…

Machine Learning · Statistics 2017-10-24 Shiva Prasad Kasiviswanathan , Nina Narodytska , Hongxia Jin

Ensuring proper generalization is a critical challenge in applying data-driven methods for solving inverse problems in imaging, as neural networks reconstructing an image must perform well across varied datasets and acquisition geometries.…

Image and Video Processing · Electrical Eng. & Systems 2025-11-18 Emilien Valat , Ozan Öktem

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Despite the omnipresence of tensors and tensor operations in modern deep learning, the use of tensor mathematics to formally design and describe neural networks is still under-explored within the deep learning community. To this end, we…

Machine Learning · Computer Science 2023-03-27 Yao Lei Xu , Kriton Konstantinidis , Danilo P. Mandic

Graph neural networks (GNNs) learn node representations by passing and aggregating messages between neighboring nodes. GNNs have been applied successfully in several application domains and achieved promising performance. However, GNNs…

Machine Learning · Computer Science 2021-12-14 Zeyu Zhang , Yulong Pei

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Deep learning has been a groundbreaking technology in various fields as well as in communications systems. In spite of the notable advancements of deep neural network (DNN) based technologies in recent years, the high computational…

Information Theory · Computer Science 2018-08-08 Minhoe Kim , Woonsup Lee , Jungmin Yoon , Ohyun Jo

Neural networks typically generalize well when fitting the data perfectly, even though they are heavily overparameterized. Many factors have been pointed out as the reason for this phenomenon, including an implicit bias of stochastic…

Machine Learning · Computer Science 2025-02-04 Amit Peleg , Matthias Hein
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