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In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically --…

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

We propose the Gaussian Gated Linear Network (G-GLN), an extension to the recently proposed GLN family of deep neural networks. Instead of using backpropagation to learn features, GLNs have a distributed and local credit assignment…

Machine Learning · Computer Science 2020-10-22 David Budden , Adam Marblestone , Eren Sezener , Tor Lattimore , Greg Wayne , Joel Veness

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Higher-order graph neural networks (HOGNNs) and the related architectures from Topological Deep Learning are an important class of GNN models that harness polyadic relations between vertices beyond plain edges. They have been used to…

Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is…

Machine Learning · Computer Science 2021-11-22 Yuexin Wu , Yichong Xu , Aarti Singh , Yiming Yang , Artur Dubrawski

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph…

Quantum Physics · Physics 2022-10-20 Slimane Thabet , Romain Fouilland , Loic Henriet

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

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes…

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

Due to the fact much of today's data can be represented as graphs, there has been a demand for generalizing neural network models for graph data. One recent direction that has shown fruitful results, and therefore growing interest, is the…

Social and Information Networks · Computer Science 2018-08-21 Tyler Derr , Yao Ma , Jiliang Tang

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

Graph Neural Networks (GNNs) are a family of graph networks inspired by mechanisms existing between nodes on a graph. In recent years there has been an increased interest in GNN and their derivatives, i.e., Graph Attention Networks (GAT),…

Machine Learning · Computer Science 2022-12-21 Maciej Krzywda , Szymon Łukasik , Amir H. Gandomi

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

Machine Learning · Computer Science 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Quantum neural networks combine quantum computing with advanced data-driven methods, offering promising applications in quantum machine learning. However, the optimal paradigm for balancing trainability and expressivity in QNNs remains an…

Quantum Physics · Physics 2025-08-05 Hongshun Yao , Xia Liu , Mingrui Jing , Guangxi Li , Xin Wang

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

This paper presents the input convex neural network architecture. These are scalar-valued (potentially deep) neural networks with constraints on the network parameters such that the output of the network is a convex function of (some of)…

Machine Learning · Computer Science 2017-06-15 Brandon Amos , Lei Xu , J. Zico Kolter

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph…

Computation and Language · Computer Science 2023-10-10 Junhan Yang , Zheng Liu , Shitao Xiao , Chaozhuo Li , Defu Lian , Sanjay Agrawal , Amit Singh , Guangzhong Sun , Xing Xie

In the field of pattern recognition research, the method of using deep neural networks based on improved computing hardware recently attracted attention because of their superior accuracy compared to conventional methods. Deep neural…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Kyongsik Yun , Alexander Huyen , Thomas Lu

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
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