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Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…

Machine Learning · Computer Science 2022-03-16 Hao Jia , Junzhong Ji , Minglong Lei

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Rationale is defined as a subset of input features that best explains or supports the prediction by machine learning models. Rationale identification has improved the generalizability and interpretability of neural networks on vision and…

Machine Learning · Computer Science 2022-09-27 Gang Liu , Tong Zhao , Jiaxin Xu , Tengfei Luo , Meng Jiang

Graphs are ubiquitous in various fields, and deep learning methods have been successful applied in graph classification tasks. However, building large and diverse graph datasets for training can be expensive. While augmentation techniques…

Machine Learning · Computer Science 2024-04-15 Andrea Ponti

In this paper, we propose a new model to learn Adaptive Kernel-based Representations (AKBR) for graph classification. Unlike state-of-the-art R-convolution graph kernels that are defined by merely counting any pair of isomorphic…

Machine Learning · Computer Science 2024-08-14 Feifei Qian , Lixin Cui , Ming Li , Yue Wang , Hangyuan Du , Lixiang Xu , Lu Bai , Philip S. Yu , Edwin R. Hancock

It is challenging for generative models to learn a distribution over graphs because of the lack of permutation invariance: nodes may be ordered arbitrarily across graphs, and standard graph alignment is combinatorial and notoriously…

Social and Information Networks · Computer Science 2023-01-27 Kimia Shayestehfard , Dana Brooks , Stratis Ioannidis

Graph Neural Networks (GNNs) are widely adopted in Web-related applications, serving as a core technique for learning from graph-structured data, such as text-attributed graphs. Yet in real-world scenarios, such graphs exhibit deficiencies…

Machine Learning · Computer Science 2025-10-03 Zhaoyan Wang , Zheng Gao , Arogya Kharel , In-Young Ko

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

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

Graph-level anomaly detection has become a critical topic in diverse areas, such as financial fraud detection and detecting anomalous activities in social networks. While most research has focused on anomaly detection for visual data such…

Machine Learning · Computer Science 2022-08-05 Chen Qiu , Marius Kloft , Stephan Mandt , Maja Rudolph

Among various distance functions for graphs, graph and subgraph edit distances (GED and SED respectively) are two of the most popular and expressive measures. Unfortunately, exact computations for both are NP-hard. To overcome this…

Machine Learning · Computer Science 2023-04-25 Rishabh Ranjan , Siddharth Grover , Sourav Medya , Venkatesan Chakaravarthy , Yogish Sabharwal , Sayan Ranu

Most of the achievements in artificial intelligence so far were accomplished by supervised learning which requires numerous annotated training data and thus costs innumerable manpower for labeling. Unsupervised learning is one of the…

Computer Vision and Pattern Recognition · Computer Science 2021-06-14 Mingxiang Chen , Zhanguo Chang , Haonan Lu , Bitao Yang , Zhuang Li , Liufang Guo , Zhecheng Wang

Unsupervised graph anomaly detection aims at identifying rare patterns that deviate from the majority in a graph without the aid of labels, which is important for a variety of real-world applications. Recent advances have utilized Graph…

Machine Learning · Computer Science 2025-05-27 Yuanchen Bei , Sheng Zhou , Jinke Shi , Yao Ma , Haishuai Wang , Jiajun Bu

Contrastive learning (CL), which can extract the information shared between different contrastive views, has become a popular paradigm for vision representation learning. Inspired by the success in computer vision, recent work introduces CL…

Machine Learning · Computer Science 2022-12-15 Xumeng Gong , Cheng Yang , Chuan Shi

Graph contrastive learning (GCL) has recently achieved substantial advancements. Existing GCL approaches compare two different ``views'' of the same graph in order to learn node/graph representations. The underlying assumption of these…

Machine Learning · Computer Science 2024-01-18 Gehang Zhang , Bowen Yu , Jiangxia Cao , Xinghua Zhang , Jiawei Sheng , Chuan Zhou , Tingwen Liu

Graph-level anomaly detection (GAD) is critical in diverse domains such as drug discovery, yet high labeling costs and dataset imbalance hamper the performance of Graph Neural Networks (GNNs). To address these issues, we propose FracAug, an…

Machine Learning · Computer Science 2025-09-26 Xiangyu Dong , Xingyi Zhang , Sibo Wang

Graph Convolutional Networks (GCNs) are widely used to improve recommendation accuracy and performance by effectively learning the representations of user and item nodes. However, two major challenges remain: (1) the lack of further…

Information Retrieval · Computer Science 2025-05-15 Tao Huang , Yihong Chen , Wei Fan , Wei Zhou , Junhao Wen

Graph Convolutional Networks (GCNs) have become increasingly popular in recommendation systems. However, recent studies have shown that GCN-based models will cause sensitive information to disseminate widely in the graph structure,…

Information Retrieval · Computer Science 2025-08-28 Tongxin Xu , Wenqiang Liu , Chenzhong Bin , Cihan Xiao , Zhixin Zeng , Tianlong Gu

Over the past few years, graph representation learning (GRL) has been a powerful strategy for analyzing graph-structured data. Recently, GRL methods have shown promising results by adopting self-supervised learning methods developed for…

Machine Learning · Computer Science 2022-09-05 Namkyeong Lee , Dongmin Hyun , Junseok Lee , Chanyoung Park

Graph anomaly detection (GAD) aims to identify anomalous graphs that significantly deviate from other ones, which has raised growing attention due to the broad existence and complexity of graph-structured data in many real-world scenarios.…

Machine Learning · Computer Science 2024-02-21 Jinyu Cai , Yunhe Zhang , Zhoumin Lu , Wenzhong Guo , See-kiong Ng
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