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Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

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 convolution network based approaches have been recently used to model region-wise relationships in region-level prediction problems in urban computing. Each relationship represents a kind of spatial dependency, like region-wise…

Machine Learning · Computer Science 2019-05-29 Xu Geng , Xiyu Wu , Lingyu Zhang , Qiang Yang , Yan Liu , Jieping Ye

Graph neural networks (GNNs) learn representations from network data with naturally distributed architectures, rendering them well-suited candidates for decentralized learning. Oftentimes, this decentralized graph support changes with time…

Machine Learning · Computer Science 2020-10-27 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Modeling human trajectories in crowded environments is challenging due to the complex nature of pedestrian behavior and interactions. This paper proposes a geometric graph neural network (GNN) architecture that integrates domain knowledge…

Machine Learning · Computer Science 2024-10-24 Sara Honarvar , Yancy Diaz-Mercado

In clinical artificial intelligence (AI), graph representation learning, mainly through graph neural networks (GNNs), stands out for its capability to capture intricate relationships within structured clinical datasets. With diverse data --…

Machine Learning · Computer Science 2023-12-13 Ruth Johnson , Michelle M. Li , Ayush Noori , Owen Queen , Marinka Zitnik

Formulating and answering logical queries is a standard communication interface for knowledge graphs (KGs). Alleviating the notorious incompleteness of real-world KGs, neural methods achieved impressive results in link prediction and…

Artificial Intelligence · Computer Science 2022-11-10 Mikhail Galkin , Zhaocheng Zhu , Hongyu Ren , Jian Tang

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

Graphs are a ubiquitous data structure to model processes and relations in a wide range of domains. Examples include control-flow graphs in programs and semantic scene graphs in images. Identifying subgraph patterns in graphs is an…

Machine Learning · Computer Science 2022-02-22 Huan Song , Zeng Dai , Panpan Xu , Liu Ren

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

Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer…

Computational Engineering, Finance, and Science · Computer Science 2024-02-15 Roberto Perera , Vinamra Agrawal

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

Machine Learning · Computer Science 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Temporal graphs represent the dynamic relationships among entities and occur in many real life application like social networks, e commerce, communication, road networks, biological systems, and many more. They necessitate research beyond…

Machine Learning · Computer Science 2022-08-26 Shubham Gupta , Srikanta Bedathur

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

In many different fields interactions between objects play a critical role in determining their behavior. Graph neural networks (GNNs) have emerged as a powerful tool for modeling interactions, although often at the cost of adding…

Computer Vision and Pattern Recognition · Computer Science 2022-06-09 Zhaoen Su , Chao Wang , David Bradley , Carlos Vallespi-Gonzalez , Carl Wellington , Nemanja Djuric

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Community detection, aiming to group the graph nodes into clusters with dense inner-connection, is a fundamental graph mining task. Recently, it has been studied on the heterogeneous graph, which contains multiple types of nodes and edges,…

Social and Information Networks · Computer Science 2021-09-07 Linhao Luo , Yixiang Fang , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

Knowledge graphs enable a wide variety of applications, including question answering and information retrieval. Despite the great effort invested in their creation and maintenance, even the largest (e.g., Yago, DBPedia or Wikidata) remain…

Machine Learning · Statistics 2017-10-30 Michael Schlichtkrull , Thomas N. Kipf , Peter Bloem , Rianne van den Berg , Ivan Titov , Max Welling

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

In graph neural networks (GNNs), message passing iteratively aggregates nodes' information from their direct neighbors while neglecting the sequential nature of multi-hop node connections. Such sequential node connections e.g., metapaths,…