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Classical graph algorithms work well for combinatorial problems that can be thoroughly formalized and abstracted. Once the algorithm is derived, it generalizes to instances of any size. However, developing an algorithm that handles complex…

Machine Learning · Computer Science 2022-12-12 Florian Grötschla , Joël Mathys , Roger Wattenhofer

Graph Neural Networks (GNNs) became useful for learning on non-Euclidean data. However, their best performance depends on choosing the right model architecture and the training objective, also called the loss function. Researchers have…

Machine Learning · Computer Science 2025-06-18 Khushnood Abbas , Ruizhe Hou , Zhou Wengang , Dong Shi , Niu Ling , Satyaki Nan , Alireza Abbasi

Graph neural networks (GNNs) are powerful tools for learning from graph-structured data but often produce biased predictions with respect to sensitive attributes. Fairness-aware GNNs have been actively studied for mitigating biased…

Machine Learning · Computer Science 2025-10-22 Yuya Sasaki

Graph Neural Networks (GNNs) have revolutionized the field of graph learning by learning expressive graph representations from massive graph data. As a common pattern to train powerful GNNs, the "pre-training, adaptation" scheme first…

Machine Learning · Computer Science 2025-10-28 Xingbo Fu , Zhenyu Lei , Zihan Chen , Binchi Zhang , Chuxu Zhang , Jundong Li

Dynamic Graph Neural Networks (GNNs) combine temporal information with GNNs to capture structural, temporal, and contextual relationships in dynamic graphs simultaneously, leading to enhanced performance in various applications. As the…

Machine Learning · Computer Science 2024-05-02 ZhengZhao Feng , Rui Wang , TianXing Wang , Mingli Song , Sai Wu , Shuibing He

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

Machine Learning · Computer Science 2023-03-10 Han Xuanyuan , Pietro Barbiero , Dobrik Georgiev , Lucie Charlotte Magister , Pietro Lió

The growing importance of textual and relational systems has driven interest in enhancing large language models (LLMs) for graph-structured data, particularly Text-Attributed Graphs (TAGs), where samples are represented by textual…

Machine Learning · Computer Science 2025-01-28 Yuanfu Sun , Zhengnan Ma , Yi Fang , Jing Ma , Qiaoyu Tan

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Neural Algorithmic Reasoning (NAR) is a paradigm that trains neural networks to execute classic algorithms by supervised learning. Despite its successes, important limitations remain: inability to construct valid solutions without…

Machine Learning · Computer Science 2026-01-30 Alex Schutz , Victor-Alexandru Darvariu , Efimia Panagiotaki , Bruno Lacerda , Nick Hawes

Graph neural networks have demonstrated excellent applicability to a wide range of domains, including social networks, biological systems, recommendation systems, and wireless communications. Yet a principled theoretical understanding of…

Machine Learning · Computer Science 2026-04-14 Xinping Yi

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Large language models (LLMs) have shown remarkable generalization capability with exceptional performance in various language modeling tasks. However, they still exhibit inherent limitations in precisely capturing and returning grounded…

Computation and Language · Computer Science 2024-01-01 Yijun Tian , Huan Song , Zichen Wang , Haozhu Wang , Ziqing Hu , Fang Wang , Nitesh V. Chawla , Panpan Xu

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Machine Learning · Computer Science 2022-04-19 Stefanie Jegelka

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Graphs with abundant attributes are essential in modeling interconnected entities and enhancing predictions across various real-world applications. Traditional Graph Neural Networks (GNNs) often require re-training for different graph tasks…

Computation and Language · Computer Science 2026-05-26 Yanchao Tan , Hang Lv , Pengxiang Zhan , Shiping Wang , Carl Yang

Graph Neural Networks (GNNs) have become the backbone for a myriad of tasks pertaining to graphs and similar topological data structures. While many works have been established in domains related to node and graph classification/regression…

Machine Learning · Computer Science 2022-09-07 Appan Rakaraddi , Siew Kei Lam , Mahardhika Pratama , Marcus De Carvalho

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

Machine Learning · Computer Science 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu