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Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

机器学习 · 计算机科学 2023-03-10 Han Xuanyuan , Pietro Barbiero , Dobrik Georgiev , Lucie Charlotte Magister , Pietro Lió

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

机器学习 · 计算机科学 2024-11-13 Chenqing Hua

Graph learning has rapidly evolved into a critical subfield of machine learning and artificial intelligence (AI). Its development began with early graph-theoretic methods, gaining significant momentum with the advent of graph neural…

机器学习 · 计算机科学 2025-11-10 Feng Xia , Ciyuan Peng , Jing Ren , Falih Gozi Febrinanto , Renqiang Luo , Vidya Saikrishna , Shuo Yu , Xiangjie Kong

Graph classification is a pivotal challenge in machine learning, especially within the realm of graph-based data, given its importance in numerous real-world applications such as social network analysis, recommendation systems, and…

机器学习 · 计算机科学 2024-07-03 Bowen Zhang , Zhichao Huang , Genan Dai , Guangning Xu , Xiaomao Fan , Hu Huang

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…

机器学习 · 计算机科学 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

With the abundance of data and information in todays time, it is nearly impossible for man, or, even machine, to go through all of the data line by line. What one usually does is to try to skim through the lines and retain the absolutely…

计算与语言 · 计算机科学 2024-02-09 Imaad Zaffar Khan , Amaan Aijaz Sheikh , Utkarsh Sinha

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

机器学习 · 统计学 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

机器学习 · 计算机科学 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph Retrieval-Augmented Generation (GRAG or Graph RAG) architectures aim to enhance language understanding and generation by leveraging external knowledge. However, effectively capturing and integrating the rich semantic information…

计算与语言 · 计算机科学 2025-01-29 Karishma Thakrar

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

机器学习 · 计算机科学 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

机器学习 · 计算机科学 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Fraud detection problems are usually formulated as a machine learning problem on a graph. Recently, Graph Neural Networks (GNNs) have shown solid performance on fraud detection. The successes of most previous methods heavily rely on rich…

机器学习 · 计算机科学 2021-10-05 Chen Wang , Yingtong Dou , Min Chen , Jia Chen , Zhiwei Liu , Philip S. Yu

Cross-modal information retrieval aims to find heterogeneous data of various modalities from a given query of one modality. The main challenge is to map different modalities into a common semantic space, in which distance between concepts…

信息检索 · 计算机科学 2018-02-14 Jing Yu , Yuhang Lu , Zengchang Qin , Yanbing Liu , Jianlong Tan , Li Guo , Weifeng Zhang

Coherence is an important aspect of text quality, and various approaches have been applied to coherence modeling. However, existing methods solely focus on a single document's coherence patterns, ignoring the underlying correlation between…

计算与语言 · 计算机科学 2023-06-13 Wei Liu , Xiyan Fu , Michael Strube

Pattern recognition problems in high energy physics are notably different from traditional machine learning applications in computer vision. Reconstruction algorithms identify and measure the kinematic properties of particles produced in…

Deep neural networks (DNNs) have been widely applied to various applications, including image classification, text generation, audio recognition, and graph data analysis. However, recent studies have shown that DNNs are vulnerable to…

密码学与安全 · 计算机科学 2022-10-07 Lichao Sun , Yingtong Dou , Carl Yang , Ji Wang , Yixin Liu , Philip S. Yu , Lifang He , Bo Li

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

机器学习 · 计算机科学 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

机器学习 · 计算机科学 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

机器学习 · 计算机科学 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach