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Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Machine Learning · Computer Science 2023-08-10 Robin Ruff , Patrick Reiser , Jan Stühmer , Pascal Friederich

Finding groups of connected individuals in large graphs with tens of thousands or more nodes has received considerable attention in academic research. In this paper, we analyze three main issues with respect to the recent influx of papers…

Data Structures and Algorithms · Computer Science 2017-05-24 Pieter Leyman , Patrick De Causmaecker

This paper investigates the impact of hybridizing a multi-modal Genetic Algorithm with a Graph Neural Network for timetabling optimization. The Graph Neural Network is designed to encapsulate general domain knowledge to improve schedule…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Laura-Maria Cornei , Mihaela-Elena Breabăn

The structural cohesion model is a powerful theoretical conception of cohesion in social groups, but its diffusion in empirical literature has been hampered by operationalization and computational problems. In this paper we start from the…

Social and Information Networks · Computer Science 2015-03-17 Jordi Torrents , Fabrizio Ferraro

A GraphMaps is a system that visualizes a graph using zoom levels, which is similar to a geographic map visualization. GraphMaps reveals the structural properties of the graph and enables users to explore the graph in a natural way by using…

Computational Geometry · Computer Science 2018-08-14 Debajyoti Mondal , Lev Nachmanson

Graph matching consists of aligning the vertices of two unlabeled graphs in order to maximize the shared structure across networks; when the graphs are unipartite, this is commonly formulated as minimizing their edge disagreements. In this…

Machine Learning · Statistics 2021-04-13 Jesús Arroyo , Carey E. Priebe , Vince Lyzinski

This work presents a two-stage neural architecture for learning and refining structural correspondences between graphs. First, we use localized node embeddings computed by a graph neural network to obtain an initial ranking of soft…

Machine Learning · Computer Science 2020-01-28 Matthias Fey , Jan E. Lenssen , Christopher Morris , Jonathan Masci , Nils M. Kriege

Graph pattern matching is often defined in terms of subgraph isomorphism, an NP-complete problem. To lower its complexity, various extensions of graph simulation have been considered instead. These extensions allow pattern matching to be…

Databases · Computer Science 2012-01-04 Shuai Ma , Yang Cao , Wenfei Fan , Jinpeng Huai , Tianyu Wo

Graph Neural Networks (GNNs) have emerged as powerful tools for analyzing and learning representations from graph-structured data. A crucial prerequisite for the outstanding performance of GNNs is the availability of complete graph…

Machine Learning · Computer Science 2024-08-12 Peng Yuan , Peng Tang

Graphs are used to model interactions in a variety of contexts, and there is a growing need to quickly assess the structure of a graph. Some of the most useful graph metrics, especially those measuring social cohesion, are based on…

Social and Information Networks · Computer Science 2014-04-22 C. Seshadhri , Ali Pinar , Tamara G. Kolda

Graphs that capture relations between textual units have great benefits for detecting salient information from multiple documents and generating overall coherent summaries. In this paper, we develop a neural abstractive multi-document…

Computation and Language · Computer Science 2020-05-21 Wei Li , Xinyan Xiao , Jiachen Liu , Hua Wu , Haifeng Wang , Junping Du

This paper addresses the problem of matching $N$ weighted graphs referring to an identical object or category. More specifically, matching the common node correspondences among graphs. This multi-graph matching problem involves two…

Computer Vision and Pattern Recognition · Computer Science 2016-06-14 Junchi Yan , Minsu Cho , Hongyuan Zha , Xiaokang Yang , Stephen Chu

We study multi-marginal optimal transport (MOT) problems where the underlying cost has a graphical structure. These graphical multi-marginal optimal transport problems have found applications in several domains including traffic flow…

Optimization and Control · Mathematics 2025-12-02 Jiaojiao Fan , Isabel Haasler , Qinsheng Zhang , Johan Karlsson , Yongxin Chen

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

While advances in computing resources have made processing enormous amounts of data possible, human ability to identify patterns in such data has not scaled accordingly. Efficient computational methods for condensing and simplifying data…

Information Retrieval · Computer Science 2020-04-03 Yike Liu , Tara Safavi , Abhilash Dighe , Danai Koutra

Graphs can be used to represent a wide variety of data belonging to different domains. Graphs can capture the relationship among data in an efficient way, and have been widely used. In recent times, with the advent of Big Data, there has…

Data Structures and Algorithms · Computer Science 2018-06-06 Rushabh Jitendrakumar Shah

Meta-graph is currently the most powerful tool for similarity search on heterogeneous information networks,where a meta-graph is a composition of meta-paths that captures the complex structural information. However, current relevance…

Social and Information Networks · Computer Science 2018-09-13 Lichao Sun , Lifang He , Zhipeng Huang , Bokai Cao , Congying Xia , Xiaokai Wei , Philip S. Yu

Dynamic Connectivity is a fundamental algorithmic graph problem, motivated by a wide range of applications to social and communication networks and used as a building block in various other algorithms, such as the bi-connectivity and the…

Data Structures and Algorithms · Computer Science 2021-05-19 Alexander Fedorov , Nikita Koval , Dan Alistarh

The graph identification problem consists of discovering the interactions among nodes in a network given their state/feature trajectories. This problem is challenging because the behavior of a node is coupled to all the other nodes by the…

Systems and Control · Electrical Eng. & Systems 2023-10-24 Eduardo Sebastian , Thai Duong , Nikolay Atanasov , Eduardo Montijano , Carlos Sagues

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb
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