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Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

Machine Learning · Computer Science 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

Cosmic shear estimation is an essential scientific goal for large galaxy surveys. It refers to the coherent distortion of distant galaxy images due to weak gravitational lensing along the line of sight. It can be used as a tracer of the…

Machine Learning · Computer Science 2021-04-21 Claire Theobald , Bastien Arcelin , Frédéric Pennerath , Brieuc Conan-Guez , Miguel Couceiro , Amedeo Napoli

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…

Machine learning techniques offer a plethora of opportunities in tackling big data within the astronomical community. We present the set of Generalized Linear Models as a fast alternative for determining photometric redshifts of galaxies, a…

Instrumentation and Methods for Astrophysics · Physics 2016-06-29 J. Elliott , R. S. de Souza , A. Krone-Martins , E. Cameron , E. E. O. Ishida , J. Hilbe

We describe an Artificial Neural Network (ANN) approach to classification of galaxy images and spectra. ANNs can replicate the classification of galaxy images by a human expert to the same degree of agreement as that between two human…

Astrophysics · Physics 2007-05-23 Ofer Lahav

Community detection in graphs aims to cluster nodes into meaningful groups, a task particularly challenging in heterophilic graphs, where nodes sharing similarities and membership to the same community are typically distantly connected.…

Social and Information Networks · Computer Science 2025-08-21 William Leeney , Alessio Gravina , Davide Bacciu

Large galaxies are thought to form hierarchically, from the accretion and disruption of many smaller galaxies. Such a scenario should naturally lead to galactic phase-space distributions containing some degree of substructure. We examine…

Astrophysics · Physics 2009-11-11 Brian M. Yencho , Kathryn V. Johnston , James S. Bullock , Katherine L. Rhode

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into individual predictions, global explanation methods, those that…

Machine Learning · Computer Science 2025-10-30 Burouj Armgaan , Eshan Jain , Harsh Pandey , Mahesh Chandran , Sayan Ranu

Graph Neural Networks (GNNs) have emerged as a promising tool to handle data exhibiting an irregular structure. However, most GNN architectures perform well on homophilic datasets, where the labels of neighboring nodes are likely to be the…

Machine Learning · Computer Science 2024-12-03 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Machine Learning · Computer Science 2025-01-17 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

While there exists a wide variety of graph neural networks (GNN) for node classification, only a minority of them adopt mechanisms that effectively target noise propagation during the message-passing procedure. Additionally, a very…

Machine Learning · Computer Science 2022-04-26 Steph-Yves Louis , Alireza Nasiri , Fatima J. Rolland , Cameron Mitro , Jianjun Hu

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

The mutually complementary Euclid and Roman galaxy redshift surveys will use Halpha- and [OIII]-selected emission line galaxies as tracers of the large scale structure at $0.9 \lesssim z \lesssim 1.9$ (Halpha) and $1.5 \lesssim z \lesssim…

The identification of $\gamma$-rays from the predominant hadronic-background is a key aspect in their ground-based detection using Imaging Atmospheric Cherenkov Telescopes (IACTs). While current methods are limited in their ability to…

High Energy Astrophysical Phenomena · Physics 2025-10-08 Abhay Mehta , Dan Parsons , Tim Lukas Holch , David Berge , Matthias Weidlich

We introduce a novel machine learning framework for estimating the Bayesian posteriors of morphological parameters for arbitrarily large numbers of galaxies. The Galaxy Morphology Posterior Estimation Network (GaMPEN) estimates values and…

Graph neural network (GNN) is an efficient neural network model for graph data and is widely used in different fields, including wireless communications. Different from other neural network models, GNN can be implemented in a decentralized…

Information Theory · Computer Science 2021-11-16 Mengyuan Lee , Guanding Yu , Huaiyu Dai

Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of Group IV, III-V, and II-VI zinc blende (ZB) semiconductors, powered by crystal Graph-based Neural Networks…

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

Machine Learning · Computer Science 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin