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Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information…

Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

Machine Learning · Computer Science 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the…

Machine Learning · Computer Science 2021-04-20 Han Yang , Xiao Yan , Xinyan Dai , Yongqiang Chen , James Cheng

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Identifying vulnerable code is a precautionary measure to counter software security breaches. Tedious expert effort has been spent to build static analyzers, yet insecure patterns are barely fully enumerated. This work explores a deep…

Artificial Intelligence · Computer Science 2021-09-09 Yufan Zhuang , Sahil Suneja , Veronika Thost , Giacomo Domeniconi , Alessandro Morari , Jim Laredo

Although deep neural networks generally have fixed network structures, the concept of dynamic mechanism has drawn more and more attention in recent years. Attention mechanisms compute input-dependent dynamic attention weights for…

Machine Learning · Computer Science 2019-12-03 Lanqing Xue , Xiaopeng Li , Nevin L. Zhang

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives…

Social and Information Networks · Computer Science 2019-12-02 Pedro H. C. Avelar , Henrique Lemos , Marcelo O. R. Prates , Luis Lamb

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

We propose a new class of implicit networks, the multiscale deep equilibrium model (MDEQ), suited to large-scale and highly hierarchical pattern recognition domains. An MDEQ directly solves for and backpropagates through the equilibrium…

Machine Learning · Computer Science 2020-11-25 Shaojie Bai , Vladlen Koltun , J. Zico Kolter

The success of graph embeddings or node representation learning in a variety of downstream tasks, such as node classification, link prediction, and recommendation systems, has led to their popularity in recent years. Representation learning…

Machine Learning · Computer Science 2018-09-07 Saba A. Al-Sayouri , Danai Koutra , Evangelos E. Papalexakis , Sarah S. Lam

Current successful approaches for generic (non-semantic) segmentation rely mostly on edge detection and have leveraged the strengths of deep learning mainly by improving the edge detection stage in the algorithmic pipeline. This is in…

Computer Vision and Pattern Recognition · Computer Science 2020-03-26 Or Isaacs , Oran Shayer , Michael Lindenbaum

Deep neural networks (DNNs) have recently achieved impressive success across a wide range of real-world vision and language processing tasks, spanning from image classification to many other downstream vision tasks, such as object…

Machine Learning · Computer Science 2025-12-23 Xiangzhong Luo , Di Liu , Hao Kong , Shuo Huai , Hui Chen , Guochu Xiong , Weichen Liu

Recent recommender system advancements have focused on developing sequence-based and graph-based approaches. Both approaches proved useful in modeling intricate relationships within behavioral data, leading to promising outcomes in…

Information Retrieval · Computer Science 2024-03-18 Vladimir Baikalov , Evgeny Frolov

Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory…

Graph neural networks (GNNs) are a powerful framework for learning representations from graph-structured data, but their direct implementation on near-term quantum hardware remains challenging due to circuit depth, multi-qubit interactions,…

Quantum Physics · Physics 2026-02-19 Armin Ahmadkhaniha , Jake Doliskani

Full-batch training on Graph Neural Networks (GNN) to learn the structure of large graphs is a critical problem that needs to scale to hundreds of compute nodes to be feasible. It is challenging due to large memory capacity and bandwidth…

Standard deep neural networks (DNNs) are commonly trained in an end-to-end fashion for specific tasks such as object recognition, face identification, or character recognition, among many examples. This specificity often leads to…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Raphaël Achddou , J. Matias di Martino , Guillermo Sapiro

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao
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