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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…
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…
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…
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…
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.…
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…
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…
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…
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.…
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…
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…
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…
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…
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…
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…
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…