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Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Graph data is ubiquitous in academia and industry, from social networks to bioinformatics. The pervasiveness of graphs today has raised the demand for algorithms that can answer various questions: Which products would a user like to…

Machine Learning · Computer Science 2020-12-01 Minji Yoon , Théophile Gervet , Bryan Hooi , Christos Faloutsos

Continual learning on graph data has recently attracted paramount attention for its aim to resolve the catastrophic forgetting problem on existing tasks while adapting the sequentially updated model to newly emerged graph tasks. While there…

Machine Learning · Computer Science 2024-02-20 Xikun Zhang , Dongjin Song , Dacheng Tao

Learning on large graphs presents significant challenges, with traditional Message Passing Neural Networks suffering from computational and memory costs scaling linearly with the number of edges. We introduce the Intersecting Block Graph…

Social and Information Networks · Computer Science 2026-02-12 Jonathan Kouchly , Ben Finkelshtein , Michael Bronstein , Ron Levie

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

Machine Learning · Computer Science 2026-05-29 Xin Wang , Linxin Xiao , Yang Yao , Wenwu Zhu

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…

Machine Learning · Computer Science 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

Benchmark datasets have proved pivotal to the success of graph learning, and good benchmark datasets are crucial to guide the development of the field. Recent research has highlighted problems with graph-learning datasets and benchmarking…

Machine Learning · Computer Science 2025-08-21 Corinna Coupette , Jeremy Wayland , Emily Simons , Bastian Rieck

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…

After a somewhat rocky start, geometry and topology have established a foothold in machine learning. Message passing, either on graphs or higher-order complexes, is one of the main drivers of geometric deep learning, and paradigms that were…

Machine Learning · Computer Science 2026-05-11 Bastian Rieck

Graph learning algorithms have attained state-of-the-art performance on many graph analysis tasks such as node classification, link prediction, and clustering. It has, however, become hard to track the field's burgeoning progress. One…

Machine Learning · Computer Science 2022-04-05 Anton Tsitsulin , Benedek Rozemberczki , John Palowitch , Bryan Perozzi

This paper introduces online algorithms with unreliable guidance (OAG), a model for ML-augmented online decision-making that cleanly separates the predictive and algorithmic components, thus offering a single, well-defined analysis…

Artificial Intelligence · Computer Science 2026-05-19 Julien Dallot , Yuval Emek , Yuval Gil , Maciej Pacut , Stefan Schmid

Graph Neural Networks (GNNs) have achieved state-of-the-art results in node classification tasks. However, most improvements are in multi-class classification, with less focus on the cases where each node could have multiple labels. The…

Machine Learning · Computer Science 2024-06-19 Tianqi Zhao , Ngan Thi Dong , Alan Hanjalic , Megha Khosla

The effective representation, processing, analysis, and visualization of large-scale structured data, especially those related to complex domains such as networks and graphs, are one of the key questions in modern machine learning. Graph…

Machine Learning · Computer Science 2020-12-02 Xiaowen Dong , Dorina Thanou , Laura Toni , Michael Bronstein , Pascal Frossard

Graph foundation models (GFMs) have recently gained significant attention. However, the unique data processing and evaluation setups employed by different studies hinder a deeper understanding of their progress. Additionally, current…

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networks (GNNs) have been developed that move beyond the homophily…

Machine Learning · Computer Science 2021-10-28 Derek Lim , Felix Hohne , Xiuyu Li , Sijia Linda Huang , Vaishnavi Gupta , Omkar Bhalerao , Ser-Nam Lim

Graph-level regression underpins many real-world applications, yet public benchmarks remain heavily skewed toward molecular graphs and citation networks. This limited diversity hinders progress on models that must generalize across both…

Machine Learning · Computer Science 2026-05-04 Peter Samoaa , Marcus Vukojevic , Morteza Haghir Chehreghani , Antonio Longa

Heterogeneous Text-Attributed Graphs (HTAGs), where different types of entities are not only associated with texts but also connected by diverse relationships, have gained widespread popularity and application across various domains.…

Machine Learning · Computer Science 2024-12-13 Yunhui Liu , Qizhuo Xie , Jinwei Shi , Jiaxu Shen , Tieke He

Graph machine learning has been extensively studied in both academia and industry. Although booming with a vast number of emerging methods and techniques, most of the literature is built on the in-distribution hypothesis, i.e., testing and…

Machine Learning · Computer Science 2023-01-02 Haoyang Li , Xin Wang , Ziwei Zhang , Wenwu Zhu

With the proliferation of large irregular sparse relational datasets, new storage and analysis platforms have arisen to fill gaps in performance and capability left by conventional approaches built on traditional database technologies and…

Databases · Computer Science 2013-09-12 Rob McColl , David Ediger , Jason Poovey , Dan Campbell , David Bader