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In this paper we cast neural networks defined on graphs as message-passing neural networks (MPNNs) in order to study the distinguishing power of different classes of such models. We are interested in whether certain architectures are able…

Machine Learning · Computer Science 2020-04-07 Floris Geerts , Filip Mazowiecki , Guillermo A. Pérez

Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

Machine Learning · Computer Science 2025-10-22 Alma C. Castaneda-Leautaud , Rommie E. Amaro

This paper presents a general graph representation learning framework called DeepGL for learning deep node and edge representations from large (attributed) graphs. In particular, DeepGL begins by deriving a set of base features (e.g.,…

Machine Learning · Statistics 2017-10-17 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive…

Machine Learning · Computer Science 2023-05-25 Francesco Di Giovanni , Lorenzo Giusti , Federico Barbero , Giulia Luise , Pietro Lio' , Michael Bronstein

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

Machine Learning · Computer Science 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Graph Nerual Networks (GNNs) are effective models in graph embedding. It extracts shallow features and neighborhood information by aggregating neighbor information to learn the embedding representation of different nodes. However, the local…

Social and Information Networks · Computer Science 2023-12-14 Kejia Zhang

Towards the challenging problem of semi-supervised node classification, there have been extensive studies. As a frontier, Graph Neural Networks (GNNs) have aroused great interest recently, which update the representation of each node by…

Machine Learning · Computer Science 2020-05-12 Huaxiu Yao , Chuxu Zhang , Ying Wei , Meng Jiang , Suhang Wang , Junzhou Huang , Nitesh V. Chawla , Zhenhui Li

Graph neural networks (GNNs) for temporal graphs have recently attracted increasing attentions, where a common assumption is that the class set for nodes is closed. However, in real-world scenarios, it often faces the open set problem with…

Machine Learning · Computer Science 2023-05-26 Kaituo Feng , Changsheng Li , Xiaolu Zhang , Jun Zhou

With the ubiquitous graph-structured data in various applications, models that can learn compact but expressive vector representations of nodes have become highly desirable. Recently, bearing the message passing paradigm, graph neural…

Social and Information Networks · Computer Science 2021-04-13 Tong Chen , Hongzhi Yin , Jie Ren , Zi Huang , Xiangliang Zhang , Hao Wang

Graph neural networks operate on graph-structured data via exchanging messages along edges. One limitation of this message passing paradigm is the over-squashing problem. Over-squashing occurs when messages from a node's expanded receptive…

Machine Learning · Computer Science 2023-11-15 Thomas Christie , Yu He

Networks and network computations have become a primary mathematical tool for analyzing the structure of many kinds of complex systems, ranging from the Internet and transportation networks to biochemical interactions and social networks. A…

Social and Information Networks · Computer Science 2023-07-11 M. E. J. Newman

We study the node classification problem on feature-decorated graphs in the sparse setting, i.e., when the expected degree of a node is $O(1)$ in the number of nodes, in the fixed-dimensional asymptotic regime, i.e., the dimension of the…

Machine Learning · Computer Science 2025-01-10 Aseem Baranwal , Kimon Fountoulakis , Aukosh Jagannath

We propose a multilayered symbolic framework for general graph classification that leverages sparse binary hypervectors and Tsetlin Machines. Each graph is encoded through structured message passing, where node, edge, and attribute…

Machine Learning · Computer Science 2025-07-23 Christian D. Blakely

Graph Neural Networks (GNNs) have achieved notable success in the analysis of non-Euclidean data across a wide range of domains. However, their applicability is constrained by the dependence on the observed graph structure. To solve this…

Machine Learning · Computer Science 2024-09-19 Ziyan Wang , Yaxuan He , Bin Liu

We propose a new iterative optimization method for the {\bf Data-Fitting} (DF) problem in Machine Learning, e.g. Neural Network (NN) training. The approach relies on {\bf Graphical Model} (GM) representation of the DF problem, where…

Machine Learning · Computer Science 2021-02-17 Francesco Concetti , Michael Chertkov

Graph neural networks (GNNs) are emerging machine learning models on graphs. Permutation-equivariance and proximity-awareness are two important properties highly desirable for GNNs. Both properties are needed to tackle some challenging…

Machine Learning · Computer Science 2022-02-23 Ziwei Zhang , Chenhao Niu , Peng Cui , Jian Pei , Bo Zhang , Wenwu Zhu

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

Machine Learning · Computer Science 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure.…

Machine Learning · Computer Science 2025-05-23 Wenxuan Zhu , Qiyuan Wu , Tengda Tang , Renzi Meng , Sheng Chai , Xuehui Quan

Graph representation learning aim at integrating node contents with graph structure to learn nodes/graph representations. Nevertheless, it is found that many existing graph learning methods do not work well on data with high heterophily…

Machine Learning · Computer Science 2023-10-13 Jincheng Huang , Ping Li , Rui Huang , Chen Na , Acong Zhang

Graph Neural Network (GNN) resembles the diffusion process, leading to the over-smoothing of learned representations when stacking many layers. Hence, the reverse process of message passing can produce the distinguishable node…

Social and Information Networks · Computer Science 2024-06-12 MoonJeong Park , Jaeseung Heo , Dongwoo Kim
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