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Quantification learning is the task of predicting the label distribution of a set of instances. We study this problem in the context of graph-structured data, where the instances are vertices. Previously, this problem has only been…

Machine Learning · Computer Science 2026-01-01 Clemens Damke , Eyke Hüllermeier

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 Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely…

Machine Learning · Computer Science 2026-02-05 Farshad Noravesh , Reza Haffari , Layki Soon , Arghya Pal

Despite the increasing relevance of forecasting methods, causal implications of these algorithms remain largely unexplored. This is concerning considering that, even under simplifying assumptions such as causal sufficiency, the statistical…

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) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Graph data is becoming increasingly prevalent due to the growing demand for relational insights in AI across various domains. Organizations regularly use graph data to solve complex problems involving relationships and connections. Causal…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong , Xin Wang

Graph attention networks learn neighbor importance through data-dependent coefficients, but standard layers lack explicit control over unreliable feature dimensions and use fixed sharpness of attention coefficient distributions. This paper…

Machine Learning · Computer Science 2026-05-29 Zhongtian Ma , Hao Wu , Yexin Zhang , Qiaosheng Zhang , Zhen Wang

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

Machine Learning · Computer Science 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

Causality graphs are routinely estimated in social sciences, natural sciences, and engineering due to their capacity to efficiently represent the spatiotemporal structure of multivariate data sets in a format amenable for human…

Signal Processing · Electrical Eng. & Systems 2020-11-16 Bakht Zaman , Luis Miguel Lopez Ramos , Daniel Romero , Baltasar Beferull-Lozano

Graph-based learning is a rapidly growing sub-field of machine learning with applications in social networks, citation networks, and bioinformatics. One of the most popular models is graph attention networks. They were introduced to allow a…

Machine Learning · Computer Science 2023-05-23 Kimon Fountoulakis , Amit Levi , Shenghao Yang , Aseem Baranwal , Aukosh Jagannath

In this contribution, we provide a comprehensive evaluation of graph neural networks applied to Boolean satisfiability problems, accompanied by an intuitive explanation of the mechanisms enabling the model to generalize to different…

Machine Learning · Computer Science 2025-04-03 David Mojžíšek , Jan Hůla , Ziwei Li , Ziyu Zhou , Mikoláš Janota

In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is…

Machine Learning · Computer Science 2023-11-28 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Lin Li , Jianming Yong , Qing Li

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 boosted the performance of many graph related tasks such as node classification and graph classification. Recent researches show that graph neural networks are vulnerable to adversarial attacks, which…

Machine Learning · Computer Science 2019-10-01 Yao Ma , Suhang Wang , Tyler Derr , Lingfei Wu , Jiliang Tang

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Fan Nie , Chenxiao Yang , Tianyi Bao , Junchi Yan

We study the problem of graph structure identification, i.e., of recovering the graph of dependencies among time series. We model these time series data as components of the state of linear stochastic networked dynamical systems. We assume…

Machine Learning · Computer Science 2023-06-29 Sérgio Machado , Anirudh Sridhar , Paulo Gil , Jorge Henriques , José M. F. Moura , Augusto Santos

Accurate prediction of outcomes is crucial for clinical decision-making and personalized patient care. Supervised machine learning algorithms, which are commonly used for outcome prediction in the medical domain, optimize for predictive…

Machine Learning · Computer Science 2026-02-09 Nithya Bhasker , Fiona R. Kolbinger , Susu Hu , Gitta Kutyniok , Stefanie Speidel

Remaining useful life prediction plays a crucial role in the health management of industrial systems. Given the increasing complexity of systems, data-driven predictive models have attracted significant research interest. Upon reviewing the…

Machine Learning · Computer Science 2024-01-30 Zhixin Huang , Yujiang He , Bernhard Sick