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Graph convolutional neural networks (GCNs) operate by aggregating messages over local neighborhoods given the prediction task under interest. Many GCNs can be understood as a form of generalized diffusion of input features on the graph, and…

Machine Learning · Computer Science 2023-07-24 Thomas Markovich

We present a novel graph neural network we call AgentNet, which is designed specifically for graph-level tasks. AgentNet is inspired by sublinear algorithms, featuring a computational complexity that is independent of the graph size. The…

Machine Learning · Computer Science 2023-03-01 Karolis Martinkus , Pál András Papp , Benedikt Schesch , Roger Wattenhofer

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Quantum neural network (QNN) is one of the promising directions where the near-term noisy intermediate-scale quantum (NISQ) devices could find advantageous applications against classical resources. Recurrent neural networks are the most…

The task of representing entire graphs has seen a surge of prominent results, mainly due to learning convolutional neural networks (CNNs) on graph-structured data. While CNNs demonstrate state-of-the-art performance in graph classification…

Machine Learning · Computer Science 2018-06-11 Sergey Ivanov , Evgeny Burnaev

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Machine Learning · Computer Science 2025-04-15 Jacob Bamberger , Federico Barbero , Xiaowen Dong , Michael M. Bronstein

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

Machine Learning · Computer Science 2024-06-24 A. Martina Neuman , Jason J. Bramburger

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Message-passing architectures struggle to sufficiently model long-range dependencies in node and graph prediction tasks. We propose a novel approach exploiting hierarchical graph structures and adaptive random walks to address this…

Machine Learning · Computer Science 2025-09-03 Joël Mathys , Federico Errica

Graph structural information such as topologies or connectivities provides valuable guidance for graph convolutional networks (GCNs) to learn nodes' representations. Existing GCN models that capture nodes' structural information weight in-…

Machine Learning · Computer Science 2021-07-22 Yunxiang Zhao , Jianzhong Qi , Qingwei Liu , Rui Zhang

Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node…

Machine Learning · Computer Science 2025-05-16 Wei Zhuo , Han Yu , Guang Tan , Xiaoxiao Li

Diffusion models based on permutation-equivariant networks can learn permutation-invariant distributions for graph data. However, in comparison to their non-invariant counterparts, we have found that these invariant models encounter greater…

Machine Learning · Computer Science 2024-06-21 Qi Yan , Zhengyang Liang , Yang Song , Renjie Liao , Lele Wang

Quantum walks with memory(QWM) are a type of modified quantum walks that record the walker's latest path. As we know, only two kinds of QWM are presented up to now. It is desired to design more QWM for research, so that we can explore the…

Quantum Physics · Physics 2016-04-20 Dan Li , Michael Mc Gettrick , Fei Gao , Jie Xu , Qiao-Yan Wen

We study quantum walks on general graphs from the point of view of scattering theory. For a general finite graph we choose two vertices and attach one half line to each. We are interested in walks that proceed from one half line, through…

Quantum Physics · Physics 2009-11-10 Edgar Feldman , Mark Hillery

We introduce a new concept of Quantum Wrapper Networking, which enables control, management, and operation of quantum networks that can co-exist with classical networks while keeping the requirements for quantum networks intact. The quantum…

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

Machine Learning · Computer Science 2021-02-01 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Graph neural networks (GNNs) have achieved tremendous success in graph mining. However, the inability of GNNs to model substructures in graphs remains a significant drawback. Specifically, message-passing GNNs (MPGNNs), as the prevailing…

Machine Learning · Computer Science 2021-04-08 Qingqing Long , Yilun Jin , Yi Wu , Guojie Song

Advances in recent years have made it possible to explore quantum dots as a viable technology for scalable quantum information processing. Charge qubits for example can be realized in the lowest bound states of coupled quantum dots and the…

Quantum Physics · Physics 2009-11-13 K Manouchehri , J. B. Wang

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