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Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…

Machine Learning · Computer Science 2026-01-21 Sidharth Agarwal , Tanishq Dubey , Shubham Gupta , Srikanta Bedathur

Graph models are widely used to study diffusion processes in contact networks. Recent data-driven research has highlighted the significance of indirect links, where interactions are possible when two nodes visit the same place at different…

Social and Information Networks · Computer Science 2019-11-12 Md Shahzamal , Raja Jurdak , Bernard Mans , Frank De Hoog , Dean Paini

Graphs have often been used to answer questions about the interaction between real-world entities by taking advantage of their capacity to represent complex topologies. Complex networks are known to be graphs that capture such non-trivial…

Machine Learning · Computer Science 2022-06-03 Gabriel Spadon , Jose F. Rodrigues-Jr

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

Machine Learning · Computer Science 2026-05-18 Haoran Li , Tobias Lehrer , Yingxue Zhao , Haosu Zhou , Philipp Stocker , Tobias Pfaff , Nan Li

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin

Detecting the dimensionality of graphs is a central topic in machine learning. While the problem has been tackled empirically as well as theoretically, existing methods have several drawbacks. On the one hand, empirical tools are…

Social and Information Networks · Computer Science 2024-08-16 Tobias Friedrich , Andreas Göbel , Maximilian Katzmann , Leon Schiller

We study human mobility networks through timeseries of contacts between individuals. Our proposed Random Walkers Induced temporal Graph (RWIG) model generates temporal graph sequences based on independent random walkers that traverse an…

Social and Information Networks · Computer Science 2024-09-16 Anton-David Almasan , Sergey Shvydun , Ingo Scholtes , Piet Van Mieghem

The advantages of temporal networks in capturing complex dynamics, such as diffusion and contagion, has led to breakthroughs in real world systems across numerous fields. In the case of human behavior, face-to-face interaction networks…

Social and Information Networks · Computer Science 2025-06-06 Nicolò Alessandro Girardini , Antonio Longa , Gaia Trebucchi , Giulia Cencetti , Andrea Passerini , Bruno Lepri

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis

With the recent technological advances, biological datasets, often represented by networks (i.e., graphs) of interacting entities, proliferate with unprecedented complexity and heterogeneity. Although modern network science opens new…

Social and Information Networks · Computer Science 2021-04-09 Islem Rekik , Mustafa Burak Gurbuz

Wireless networks are inherently graph-structured, which can be utilized in graph representation learning to solve complex wireless network optimization problems. In graph representation learning, feature vectors for each entity in the…

Information Theory · Computer Science 2024-10-28 Maryam Mohsenivatani , Samad Ali , Vismika Ranasinghe , Nandana Rajatheva , Matti Latva-Aho

Extracting real-time insights from multi-modal data streams from various domains such as healthcare, intelligent transportation, and satellite remote sensing remains a challenge. High computational demands and limited knowledge scope…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Murugan Sankaradas , Ravi K. Rajendran , Srimat T. Chakradhar

This study introduces a two-scale Graph Neural Operator (GNO), namely, LatticeGraphNet (LGN), designed as a surrogate model for costly nonlinear finite-element simulations of three-dimensional latticed parts and structures. LGN has two…

Machine Learning · Computer Science 2024-09-17 Ayush Jain , Ehsan Haghighat , Sai Nelaturi

Graph Neural Networks (GNNs) have recently received significant research attention due to their superior performance on a variety of graph-related learning tasks. Most of the current works focus on either static or dynamic graph settings,…

Machine Learning · Computer Science 2021-02-09 Fan Zhou , Chengtai Cao

Recent methods for generating novel molecules use graph representations of molecules and employ various forms of graph convolutional neural networks for inference. However, training requires solving an expensive graph isomorphism problem,…

Machine Learning · Computer Science 2021-03-02 Sebastian Pölsterl , Christian Wachinger

The use of retrieval-augmented generation (RAG) to retrieve relevant information from an external knowledge source enables large language models (LLMs) to answer questions over private and/or previously unseen document collections. However,…

Weighted graphs are ubiquitous throughout biology, chemistry, and the social sciences, motivating the development of generative models for abstract weighted graph data using deep neural networks. However, most current deep generative models…

Machine Learning · Computer Science 2025-08-01 Richard Williams , Eric Nalisnick , Andrew Holbrook

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs mainly excel in leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both…

Machine Learning · Computer Science 2024-04-02 Xuan Li , Zhanke Zhou , Jiangchao Yao , Yu Rong , Lu Zhang , Bo Han

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Sampling is an established technique to scale graph neural networks to large graphs. Current approaches however assume the graphs to be homogeneous in terms of relations and ignore relation types, critically important in biomedical graphs.…

Machine Learning · Computer Science 2021-05-31 Arthur Feeney , Rishabh Gupta , Veronika Thost , Rico Angell , Gayathri Chandu , Yash Adhikari , Tengfei Ma