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Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

We investigate graph representation learning approaches that enable models to generalize across graphs: given a model trained using the representations from one graph, our goal is to apply inference using those same model parameters when…

Machine Learning · Computer Science 2023-02-20 Anton Amirov , Chris Quirk , Jennifer Neville

Graph Drawing Beyond Planarity is a rapidly growing research area that classifies and studies geometric representations of non-planar graphs in terms of forbidden crossing configurations. Aim of this survey is to describe the main research…

Computational Geometry · Computer Science 2019-09-04 Walter Didimo , Giuseppe Liotta , Fabrizio Montecchiani

Prediction of molecular properties, including physico-chemical properties, is a challenging task in chemistry. Herein we present a new state-of-the-art multitask prediction method based on existing graph neural network models. We have used…

Machine Learning · Computer Science 2019-10-31 Fabio Capela , Vincent Nouchi , Ruud Van Deursen , Igor V. Tetko , Guillaume Godin

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

A graph-based classification method is proposed for semi-supervised learning in the case of Euclidean data and for classification in the case of graph data. Our manifold learning technique is based on a convex optimization problem involving…

Machine Learning · Computer Science 2019-01-29 Carlos M. Alaíz , Michaël Fanuel , Johan A. K. Suykens

Graph inference plays an essential role in machine learning, pattern recognition, and classification. Signal processing based approaches in literature generally assume some variational property of the observed data on the graph. We make a…

Information Theory · Computer Science 2020-08-24 B. Subbareddy , Aditya Siripuram , Jingxin Zhang

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

Machine Learning · Computer Science 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

Graph representation learning has made major strides over the past decade. However, in many relational domains, the input data are not suited for simple graph representations as the relationships between entities go beyond pairwise…

Machine Learning · Computer Science 2021-01-20 Balasubramaniam Srinivasan , Da Zheng , George Karypis

Classical graph matching aims to find a node correspondence between two unlabeled graphs of known topologies. This problem has a wide range of applications, from matching identities in social networks to identifying similar biological…

Signal Processing · Electrical Eng. & Systems 2024-10-28 Hang Liu , Anna Scaglione , Hoi-To Wai

Estimation of model uncertainty can help improve the explainability of Graph Convolutional Networks and the accuracy of the models at the same time. Uncertainty can also be used in critical applications to verify the results of the model by…

Machine Learning · Computer Science 2025-07-03 Illia Oleksiienko , Juho Kanniainen , Alexandros Iosifidis

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Graph neural networks have been widely used for learning representations of nodes for many downstream tasks on graph data. Existing models were designed for the nodes on a single graph, which would not be able to utilize information across…

Machine Learning · Computer Science 2021-06-04 Meng Jiang

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

Machine Learning · Computer Science 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Graphs are naturally sparse objects that are used to study many problems involving networks, for example, distributed learning and graph signal processing. In some cases, the graph is not given, but must be learned from the problem and…

Machine Learning · Statistics 2017-08-31 Martin Sundin , Arun Venkitaraman , Magnus Jansson , Saikat Chatterjee

Large-scale graph data in real-world applications is often not static but dynamic, i. e., new nodes and edges appear over time. Current graph convolution approaches are promising, especially, when all the graph's nodes and edges are…

Machine Learning · Computer Science 2019-05-16 Lukas Galke , Iacopo Vagliano , Ansgar Scherp

Uncertainty in machine learning is not generally taught as general knowledge in Machine Learning course curricula. In this paper we propose a short curriculum for a course about uncertainty in machine learning, and complement the course…

Machine Learning · Computer Science 2021-08-20 Matias Valdenegro-Toro

We introduce an efficient method for learning linear models from uncertain data, where uncertainty is represented as a set of possible variations in the data, leading to predictive multiplicity. Our approach leverages abstract…

Machine Learning · Computer Science 2024-05-30 Jiongli Zhu , Su Feng , Boris Glavic , Babak Salimi

We propose to study the problem of few-shot learning with the prism of inference on a partially observed graphical model, constructed from a collection of input images whose label can be either observed or not. By assimilating generic…

Machine Learning · Statistics 2018-02-21 Victor Garcia , Joan Bruna

Graph signals offer a very generic and natural representation for data that lives on networks or irregular structures. The actual data structure is however often unknown a priori but can sometimes be estimated from the knowledge of the…

Machine Learning · Computer Science 2017-07-19 Hermina Petric Maretic , Dorina Thanou , Pascal Frossard