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Related papers: Neighbor Overlay-Induced Graph Attention Network

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With the growing use of deep learning methods, particularly graph neural networks, which encode intricate interconnectedness information, for a variety of real tasks, there is a necessity for explainability in such settings. In this paper,…

Machine Learning · Computer Science 2022-11-04 Harsh Patel , Shivam Sahni

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Graph Neural Networks (GNNs) have shown advantages in various graph-based applications. Most existing GNNs assume strong homophily of graph structure and apply permutation-invariant local aggregation of neighbors to learn a representation…

Machine Learning · Computer Science 2022-01-04 Tianmeng Yang , Yujing Wang , Zhihan Yue , Yaming Yang , Yunhai Tong , Jing Bai

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

Machine Learning · Computer Science 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Numerous works have proven that existing neighbor-averaging Graph Neural Networks cannot efficiently catch structure features, and many works show that injecting structure, distance, position or spatial features can significantly improve…

Machine Learning · Computer Science 2021-12-07 Zhiguo Huang , Xiaowei Chen , Bojuan Wang

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Inspired by the extensive success of deep learning, graph neural networks (GNNs) have been proposed to learn expressive node representations and demonstrated promising performance in various graph learning tasks. However, existing endeavors…

Machine Learning · Computer Science 2022-04-05 Kaize Ding , Jianling Wang , James Caverlee , Huan Liu

Graph representation learning methods have mostly been limited to the modelling of node-wise interactions. Recently, there has been an increased interest in understanding how higher-order structures can be utilised to further enhance the…

Machine Learning · Computer Science 2022-04-21 Christopher Wei Jin Goh , Cristian Bodnar , Pietro Liò

With the development of the Internet of Things (IoT), network intrusion detection is becoming more complex and extensive. It is essential to investigate an intelligent, automated, and robust network intrusion detection method. Graph neural…

Cryptography and Security · Computer Science 2023-04-17 Yalu Wang , Zhijie Han , Jie Li , Xin He

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Ben Finkelshtein , Xingyue Huang , Michael Bronstein , İsmail İlkan Ceylan

A critical aspect of Graph Neural Networks (GNNs) is to enhance the node representations by aggregating node neighborhood information. However, when detecting anomalies, the representations of abnormal nodes are prone to be averaged by…

Machine Learning · Computer Science 2024-07-03 Chunjing Xiao , Shikang Pang , Xovee Xu , Xuan Li , Goce Trajcevski , Fan Zhou

As an important branch in Recommender System, occasional group recommendation has received more and more attention. In this scenario, each occasional group (cold-start group) has no or few historical interacted items. As each occasional…

Information Retrieval · Computer Science 2022-07-22 Bowen Hao , Hongzhi Yin , Cuiping Li , Hong Chen

To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a…

Machine Learning · Computer Science 2019-06-11 Xiang Wang , Xiangnan He , Yixin Cao , Meng Liu , Tat-Seng Chua

Multi-label classification aims to recognize multiple objects or attributes from images. However, it is challenging to learn from proper label graphs to effectively characterize such inter-label correlations or dependencies. Current methods…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Jin Yuan , Shikai Chen , Yao Zhang , Zhongchao Shi , Xin Geng , Jianping Fan , Yong Rui

Various approaches have been proposed for providing efficient computational approaches for abstract argumentation. Among them, neural networks have permitted to solve various decision problems, notably related to arguments (credulous or…

Artificial Intelligence · Computer Science 2024-09-26 Paul Cibier , Jean-Guy Mailly