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We present Causal Generative Neural Networks (CGNNs) to learn functional causal models from observational data. CGNNs leverage conditional independencies and distributional asymmetries to discover bivariate and multivariate causal…

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Node classification in attributed graphs is an important task in multiple practical settings, but it can often be difficult or expensive to obtain labels. Active learning can improve the achieved classification performance for a given…

Machine Learning · Computer Science 2020-07-13 Florence Regol , Soumyasundar Pal , Yingxue Zhang , Mark Coates

Graph classification is a problem with practical applications in many different domains. Most of the existing methods take the entire graph into account when calculating graph features. In a graphlet-based approach, for instance, the entire…

Machine Learning · Computer Science 2017-09-20 John Boaz Lee , Ryan Rossi , Xiangnan Kong

Molecular property prediction is becoming one of the major applications of graph learning in Web-based services, e.g., online protein structure prediction and drug discovery. A key challenge arises in few-shot scenarios, where only a few…

Machine Learning · Computer Science 2026-01-19 Van Thuy Hoang , O-Joun Lee

As a prevalent problem in online advertising, CTR prediction has attracted plentiful attention from both academia and industry. Recent studies have been reported to establish CTR prediction models in the graph neural networks (GNNs)…

Information Retrieval · Computer Science 2023-02-01 Panyu Zhai , Yanwu Yang , Chunjie Zhang

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Causal discovery aims to uncover cause-and-effect relationships encoded in causal graphs by leveraging observational, interventional data, or their combination. The majority of existing causal discovery methods are developed assuming…

Machine Learning · Computer Science 2024-06-25 Muhammad Qasim Elahi , Lai Wei , Murat Kocaoglu , Mahsa Ghasemi

In the fundamental statistics course, students are taught to remember the well-known saying: "Correlation is not Causation". Till now, statistics (i.e., correlation) have developed various successful frameworks, such as Transformer and…

Artificial Intelligence · Computer Science 2023-11-22 Ning Xu , Yifei Gao , Hongshuo Tian , Yongdong Zhang , An-An Liu

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Graph contrastive learning (GCL), learning the node representation by contrasting two augmented graphs in a self-supervised way, has attracted considerable attention. GCL is usually believed to learn the invariant representation. However,…

Machine Learning · Computer Science 2024-03-08 Yanhu Mo , Xiao Wang , Shaohua Fan , Chuan Shi

Spatiotemporal prediction over graphs (STPG) is crucial for transportation systems. In existing STPG models, an adjacency matrix is an important component that captures the relations among nodes over graphs. However, most studies calculate…

Machine Learning · Computer Science 2024-11-26 Zhaobin Mo , Qingyuan Liu , Baohua Yan , Longxiang Zhang , Xuan Di

Graph neural networks (GNNs) have been developed to model the relationship between regions of interest (ROIs) in brains and have shown significant improvement in detecting brain diseases. However, most of these frameworks do not consider…

Machine Learning · Computer Science 2025-06-23 Falih Gozi Febrinanto , Adonia Simango , Chengpei Xu , Jingjing Zhou , Jiangang Ma , Sonika Tyagi , Feng Xia

Graph Neural Networks (GNNs) are widely used for graph representation learning. Despite its prevalence, GNN suffers from two drawbacks in the graph classification task, the neglect of graph-level relationships, and the generalization issue.…

Machine Learning · Computer Science 2024-06-07 Jiaxing Xu , Jinjie Ni , Yiping Ke

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Although dynamic graph neural networks (DyGNNs) have demonstrated promising capabilities, most existing methods ignore out-of-distribution (OOD) shifts that commonly exist in dynamic graphs. Dynamic graph OOD generalization is non-trivial…

Machine Learning · Computer Science 2026-03-03 Xinxun Zhang , Pengfei Jiao , Mengzhou Gao , Tianpeng Li , Xuan Guo

Graph convolutional network (GCN) is generalization of convolutional neural network (CNN) to work with arbitrarily structured graphs. A binary adjacency matrix is commonly used in training a GCN. Recently, the attention mechanism allows the…

Machine Learning · Statistics 2022-03-03 Chao Shang , Qinqing Liu , Ko-Shin Chen , Jiangwen Sun , Jin Lu , Jinfeng Yi , Jinbo Bi

We introduce Quantum Graph Attention Networks (QGATs) as trainable quantum encoders for inductive learning on graphs, extending the Quantum Graph Neural Networks (QGNN) framework. QGATs leverage parameterized quantum circuits to encode node…

Quantum Physics · Physics 2025-09-16 Arthur M. Faria , Mehdi Djellabi , Igor O. Sokolov , Savvas Varsamopoulos

Graph contrastive learning is a general learning paradigm excelling at capturing invariant information from diverse perturbations in graphs. Recent works focus on exploring the structural rationale from graphs, thereby increasing the…

Machine Learning · Computer Science 2024-04-09 Qirui Ji , Jiangmeng Li , Jie Hu , Rui Wang , Changwen Zheng , Fanjiang Xu

The explosion of massive urban data recently has provided us with a valuable opportunity to gain deeper insights into urban regions and the daily lives of residents. Urban region representation learning emerges as a crucial realm for…

Social and Information Networks · Computer Science 2024-07-03 Zhuo Xu , Xiao Zhou
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