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Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Materials Science · Physics 2025-11-07 Yujie Liu , Zhenyu Wang , Hang Lei , Guoyu Zhang , Jiawei Xian , Zhibin Gao , Jun Sun , Haifeng Song , Xiangdong Ding

Deep learning (DL) algorithms can be used to automate paranasal anomaly detection from Magnetic Resonance Imaging (MRI). However, previous works relied on supervised learning techniques to distinguish between normal and abnormal samples.…

There are two major types of uncertainty one can model. Aleatoric uncertainty captures noise inherent in the observations. On the other hand, epistemic uncertainty accounts for uncertainty in the model -- uncertainty which can be explained…

Computer Vision and Pattern Recognition · Computer Science 2017-10-06 Alex Kendall , Yarin Gal

Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…

Materials Science · Physics 2025-10-01 Paolo De Angelis , Giovanni Trezza , Giulio Barletta , Pietro Asinari , Eliodoro Chiavazzo

Learning the structure of Bayesian networks (BNs) from data is challenging, especially for datasets involving a large number of variables. The recently proposed divide-and-conquer (D\&D) strategies present a promising approach for learning…

Machine Learning · Computer Science 2025-07-01 Shengcai Liu , Hui Ou-yang , Zhiyuan Wang , Cheng Chen , Qijun Cai , Yew-Soon Ong , Ke Tang

In cognitive radio (CR) technology, the trend of sensing is no longer to only detect the presence of active primary users. A large number of applications demand for more comprehensive knowledge on primary user behaviors in spatial,…

Machine Learning · Computer Science 2015-02-10 Weijia Han , Huiyan Sang , Min Sheng , Jiandong Li , Shuguang Cui

Learning a Bayesian network is an NP-hard problem and with an increase in the number of nodes, classical algorithms for learning the structure of Bayesian networks become inefficient. In recent years, some methods and algorithms for…

Machine Learning · Computer Science 2022-08-23 Yury Kaminsky , Irina Deeva

A fundamental challenge in materials design is linking building block attributes to crystal structure. Addressing this challenge is particularly difficult for systems that exhibit emergent order, such as entropy-stabilized colloidal…

Materials Science · Physics 2018-01-22 Yina Geng , Greg van Anders , Sharon C. Glotzer

Differential Networks (DNs), tools that encapsulate interactions within intricate systems, are brought under the Bayesian lens in this research. A novel na{\i}ve Bayesian adaptive graphical elastic net (BAE) prior is introduced to estimate…

Methodology · Statistics 2023-06-27 J. Smith , A. Bekker , M. Arashi

This work takes a critical look at the application of conventional machine learning methods to wireless communication problems through the lens of reliability and robustness. Deep learning techniques adopt a frequentist framework, and are…

Machine Learning · Computer Science 2022-07-04 Matteo Zecchin , Sangwoo Park , Osvaldo Simeone , Marios Kountouris , David Gesbert

In spectroscopic experiments, data acquisition in multi-dimensional phase space may require long acquisition time, owing to the large phase space volume to be covered. In such case, the limited time available for data acquisition can be a…

High dimensional categorical data are routinely collected in biomedical and social sciences. It is of great importance to build interpretable parsimonious models that perform dimension reduction and uncover meaningful latent structures from…

Methodology · Statistics 2023-01-31 Yuqi Gu , David B. Dunson

Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal structures exhibit infinite periodic arrangements of atoms, requiring methods capable of capturing…

Machine Learning · Computer Science 2025-09-29 Jianan Nie , Peiyao Xiao , Kaiyi Ji , Peng Gao

Structural crack detection is a critical task for public safety as it helps in preventing potential structural failures that could endanger lives. Manual detection by inexperienced personnel can be slow, inconsistent, and prone to human…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 Subhasis Dasgupta , Jaydip Sen , Tuhina Halder

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

Crystal property prediction is a crucial aspect of developing novel materials. However, there are two technical challenges to be addressed for speeding up the investigation of crystals. First, labeling crystal properties is intrinsically…

Machine Learning · Computer Science 2023-06-12 Haomin Yu , Yanru Song , Jilin Hu , Chenjuan Guo , Bin Yang

The inspection of infrastructure for corrosion remains a task that is typically performed manually by qualified engineers or inspectors. This task of inspection is laborious, slow, and often requires complex access. Recently, deep learning…

Computer Vision and Pattern Recognition · Computer Science 2022-05-12 B. Burton , W. T. Nash , N. Birbilis

This study introduces a novel approach for crystal structure analysis, utilizing Inverse EXAFS Analysis (IEA). To assess the reliability of IEA, we applied it to various experimentally studied materials, including LiCrO2 and CuFeO2. Our…

Materials Science · Physics 2024-09-17 Osman Murat Ozkendir

Ensemble learning is a standard approach to building machine learning systems that capture complex phenomena in real-world data. An important aspect of these systems is the complete and valid quantification of model uncertainty. We…

Machine Learning · Computer Science 2019-11-12 Jeremiah Zhe Liu , John Paisley , Marianthi-Anna Kioumourtzoglou , Brent Coull

Gaussian graphical models provide a powerful framework to reveal the conditional dependency structure between multivariate variables. The process of uncovering the conditional dependency network is known as structure learning. Bayesian…

Methodology · Statistics 2024-07-30 Lucas Vogels , Reza Mohammadi , Marit Schoonhoven , S. Ilker Birbil