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We consider the problem of learning a graph from a finite set of noisy graph signal observations, the goal of which is to find a smooth representation of the graph signal. Such a problem is motivated by the desire to infer relational…

Machine Learning · Computer Science 2023-02-08 Xiaolu Wang , Yuen-Man Pun , Anthony Man-Cho So

The self-attention mechanism has been adopted in various popular message passing neural networks (MPNNs), enabling the model to adaptively control the amount of information that flows along the edges of the underlying graph. Such…

Machine Learning · Computer Science 2024-12-23 Yong-Min Shin , Siqing Li , Xin Cao , Won-Yong Shin

This paper studies graph-based active learning, where the goal is to reconstruct a binary signal defined on the nodes of a weighted graph, by sampling it on a small subset of the nodes. A new sampling algorithm is proposed, which…

Machine Learning · Computer Science 2016-05-19 Eyal En Gad , Akshay Gadde , A. Salman Avestimehr , Antonio Ortega

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models…

Machine Learning · Statistics 2023-06-07 Dexiong Chen , Paolo Pellizzoni , Karsten Borgwardt

Predictions made by graph neural networks (GNNs) usually lack interpretability due to their complex computational behavior and the abstract nature of graphs. In an attempt to tackle this, many GNN explanation methods have emerged. Their…

Machine Learning · Computer Science 2024-10-21 Zhong Li , Simon Geisler , Yuhang Wang , Stephan Günnemann , Matthijs van Leeuwen

With the rising interest in graph representation learning, a variety of approaches have been proposed to effectively capture a graph's properties. While these approaches have improved performance in graph machine learning tasks compared to…

Machine Learning · Computer Science 2019-10-09 Antonia Gogoglou , C. Bayan Bruss , Keegan E. Hines

In this paper, we present CrimeGAT, a novel application of Graph Attention Networks (GATs) for predictive policing in criminal networks. Criminal networks pose unique challenges for predictive analytics due to their complex structure,…

Social and Information Networks · Computer Science 2023-12-01 Chen Yang

We propose a multi-explanation graph attention network (MEGAN). Unlike existing graph explainability methods, our network can produce node and edge attributional explanations along multiple channels, the number of which is independent of…

Machine Learning · Computer Science 2024-02-20 Jonas Teufel , Luca Torresi , Patrick Reiser , Pascal Friederich

Temporal Graph Learning, which aims to model the time-evolving nature of graphs, has gained increasing attention and achieved remarkable performance recently. However, in reality, graph structures are often incomplete and noisy, which…

Machine Learning · Computer Science 2023-08-16 Haozhen Zhang , Xueting Han , Xi Xiao , Jing Bai

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

Machine Learning · Computer Science 2022-02-02 Jie Chen , Shouzhen Chen , Mingyuan Bai , Jian Pu , Junping Zhang , Junbin Gao

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

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Previous research has sought to enhance the graph reasoning capabilities of LLMs by supervised fine-tuning on synthetic graph data. While these led to specialized LLMs better at solving graph algorithm problems, we don't need LLMs for…

Machine Learning · Computer Science 2025-08-19 Yizhuo Zhang , Heng Wang , Shangbin Feng , Zhaoxuan Tan , Xinyun Liu , Yulia Tsvetkov

Graph instance contrastive learning has been proved as an effective task for Graph Neural Network (GNN) pre-training. However, one key issue may seriously impede the representative power in existing works: Positive instances created by…

Machine Learning · Computer Science 2022-06-27 Xueyi Liu , Yu Rong , Tingyang Xu , Fuchun Sun , Wenbing Huang , Junzhou Huang

This work addresses the problem of graph learning from data following a Gaussian Graphical Model (GGM) with a time-varying mean. Graphical Lasso (GL), the standard method for estimating sparse precision matrices, assumes that the observed…

Machine Learning · Computer Science 2025-03-26 Samuel Rey , Ernesto Curbelo , Luca Martino , Fernando Llorente , Antonio G. Marques

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to…

Machine Learning · Computer Science 2023-11-22 Jiarong Xu , Renhong Huang , Xin Jiang , Yuxuan Cao , Carl Yang , Chunping Wang , Yang Yang

Graph neural networks have demonstrated remarkable success in predicting molecular properties by leveraging the rich structural information encoded in molecular graphs. However, their black-box nature reduces interpretability, which limits…

Machine Learning · Computer Science 2025-08-22 Sebastian Musiał , Bartosz Zieliński , Tomasz Danel

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

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Artificial intelligence for graphs has achieved remarkable success in modeling complex systems, ranging from dynamic networks in biology to interacting particle systems in physics. However, the increasingly heterogeneous graph datasets call…

Machine Learning · Computer Science 2023-01-25 Yasha Ektefaie , George Dasoulas , Ayush Noori , Maha Farhat , Marinka Zitnik