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Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

Machine Learning · Computer Science 2022-02-23 Juncheng Liu , Kenji Kawaguchi , Bryan Hooi , Yiwei Wang , Xiaokui Xiao

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

Machine Learning · Statistics 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi

Graphons are general and powerful models for generating graphs of varying size. In this paper, we propose to directly model graphons using neural networks, obtaining Implicit Graphon Neural Representation (IGNR). Existing work in modeling…

Machine Learning · Computer Science 2023-04-03 Xinyue Xia , Gal Mishne , Yusu Wang

Graph Neural Networks (GNNs) have achieved outstanding performance across a wide range of graph-related tasks. However, their "black-box" nature poses significant challenges to their explainability, and existing methods often fail to…

Machine Learning · Computer Science 2025-07-25 Lijun Wu , Dong Hao , Zhiyi Fan

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Tabular and relational data remain the most ubiquitous formats in real-world machine learning applications, spanning domains from finance to healthcare. Although both formats offer structured representations, they pose distinct challenges…

Machine Learning · Computer Science 2025-06-04 Tamara Cucumides , Floris Geerts

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

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

Semi-supervised learning on graphs is an important problem in the machine learning area. In recent years, state-of-the-art classification methods based on graph neural networks (GNNs) have shown their superiority over traditional ones such…

Machine Learning · Computer Science 2021-03-05 Cheng Yang , Jiawei Liu , Chuan Shi

Deep neural networks are notoriously miscalibrated, i.e., their outputs do not reflect the true probability of the event we aim to predict. While networks for tabular or image data are usually overconfident, recent works have shown that…

Machine Learning · Computer Science 2024-03-11 Erik Nascimento , Diego Mesquita , Samuel Kaski , Amauri H Souza

Leveraging network information for predictive modeling has become widespread in many domains. Within the realm of referral and targeted marketing, influencer detection stands out as an area that could greatly benefit from the incorporation…

Social and Information Networks · Computer Science 2024-09-11 Elena Tiukhova , Emiliano Penaloza , María Óskarsdóttir , Bart Baesens , Monique Snoeck , Cristián Bravo

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs,…

Databases · Computer Science 2025-02-20 Ziming Li , Youhuan Li , Yuyu Luo , Guoliang Li , Chuxu Zhang

The task of inductive knowledge graph completion requires models to learn inference patterns from a training graph, which can then be used to make predictions on a disjoint test graph. Rule-based methods seem like a natural fit for this…

Artificial Intelligence · Computer Science 2024-03-26 Akash Anil , Víctor Gutiérrez-Basulto , Yazmín Ibañéz-García , Steven Schockaert

Learning correspondences aims to find correct correspondences (inliers) from the initial correspondence set with an uneven correspondence distribution and a low inlier rate, which can be regarded as graph data. Recent advances usually use…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Luanyuan Dai , Xiaoyu Du , Hanwang Zhang , Jinhui Tang

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

The lack of interpretability and transparency are preventing economists from using advanced tools like neural networks in their empirical research. In this paper, we propose a class of interpretable neural network models that can achieve…

Econometrics · Economics 2020-12-01 Yucheng Yang , Zhong Zheng , Weinan E