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Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a…

Machine Learning · Computer Science 2025-10-21 Paul Krzakala , Gabriel Melo , Charlotte Laclau , Florence d'Alché-Buc , Rémi Flamary

Graph In-Context Learning, with the ability to adapt pre-trained graph models to novel and diverse downstream graphs without updating any parameters, has gained much attention in the community. The key to graph in-context learning is to…

Machine Learning · Computer Science 2025-05-06 Rui Lv , Zaixi Zhang , Kai Zhang , Qi Liu , Weibo Gao , Jiawei Liu , Jiaxia Yan , Linan Yue , Fangzhou Yao

Generative models for graph data are an important research topic in machine learning. Graph data comprise two levels that are typically analyzed separately: node-level properties such as the existence of a link between a pair of nodes, and…

Machine Learning · Computer Science 2023-01-18 Kiarash Zahirnia , Oliver Schulte , Parmis Naddaf , Ke Li

This work presents the first convolutional neural network that learns an image-to-graph translation task without needing external supervision. Obtaining graph representations of image content, where objects are represented as nodes and…

Computer Vision and Pattern Recognition · Computer Science 2020-12-14 Chenyang Lu , Gijs Dubbelman

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

Machine Learning · Computer Science 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular…

Machine Learning · Computer Science 2024-01-17 Zhiyuan Liu , Yaorui Shi , An Zhang , Enzhi Zhang , Kenji Kawaguchi , Xiang Wang , Tat-Seng Chua

Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and most of their…

Machine Learning · Computer Science 2019-10-03 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis

Graph is a natural representation of data for a variety of real-word applications, such as knowledge graph mining, social network analysis and biological network comparison. For these applications, graph embedding is crucial as it provides…

Machine Learning · Computer Science 2020-01-24 Bitan Hou , Yujing Wang , Ming Zeng , Shan Jiang , Ole J. Mengshoel , Yunhai Tong , Jing Bai

Self-supervised learning on graphs can be bifurcated into contrastive and generative methods. Contrastive methods, also known as graph contrastive learning (GCL), have dominated graph self-supervised learning in the past few years, but the…

Machine Learning · Computer Science 2024-02-13 Liang Wang , Xiang Tao , Qiang Liu , Shu Wu , Liang Wang

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

We present a graph neural network model for solving graph-to-graph learning problems. Most deep learning on graphs considers ``simple'' problems such as graph classification or regressing real-valued graph properties. For such tasks, the…

Machine Learning · Computer Science 2021-06-08 Guan Wang , Francois Bernard Lauze , Aasa Feragen

Recent graph-to-text models generate text from graph-based data using either global or local aggregation to learn node representations. Global node encoding allows explicit communication between two distant nodes, thereby neglecting graph…

Computation and Language · Computer Science 2020-06-23 Leonardo F. R. Ribeiro , Yue Zhang , Claire Gardent , Iryna Gurevych

Image restoration tasks traditionally rely on convolutional neural networks. However, given the local nature of the convolutional operator, they struggle to capture global information. The promise of attention mechanisms in Transformers is…

Image and Video Processing · Electrical Eng. & Systems 2024-05-08 Amirhosein Ghasemabadi , Muhammad Kamran Janjua , Mohammad Salameh , Chunhua Zhou , Fengyu Sun , Di Niu

Recent studies have indicated that Graph Convolutional Networks (GCNs) act as a \emph{low pass} filter in spectral domain and encode smoothed node representations. In this paper, we consider their opposite, namely Graph Deconvolutional…

Machine Learning · Computer Science 2020-12-23 Jia Li , Tomas Yu , Da-Cheng Juan , Arjun Gopalan , Hong Cheng , Andrew Tomkins

Generative models of graphs are well-known, but many existing models are limited in scalability and expressivity. We present a novel sequential graphical variational autoencoder operating directly on graphical representations of data. In…

Machine Learning · Computer Science 2019-12-18 Bowen Jing , Ethan A. Chi , Jillian Tang

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

Scene-agnostic visual inpainting remains very challenging despite progress in patch-based methods. Recently, Pathak et al. 2016 have introduced convolutional "context encoders" (CEs) for unsupervised feature learning through image…

Computer Vision and Pattern Recognition · Computer Science 2019-04-08 Huy V. Vo , Ngoc Q. K. Duong , Patrick Perez

Counterfactual Explanation (CE) techniques have garnered attention as a means to provide insights to the users engaging with AI systems. While extensively researched in domains such as medical imaging and autonomous vehicles, Graph…

Machine Learning · Computer Science 2024-01-12 Mario Alfonso Prado-Romero , Bardh Prenkaj , Giovanni Stilo

Graph machine learning has been widely explored in various domains, such as community detection, transaction analysis, and recommendation systems. In these applications, anomaly detection plays an important role. Recently, studies have…

Machine Learning · Computer Science 2025-11-21 Wei Herng Choong , Jixing Liu , Ching-Yu Kao , Philip Sperl