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In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that depend on some material properties (elastic constants,…

Materials Science · Physics 2022-10-17 Ivan Novikov , Olga Kovalyova , Alexander Shapeev , Max Hodapp

Learning augmented is a machine learning concept built to improve the performance of a method or model, such as enhancing its ability to predict and generalize data or features, or testing the reliability of the method by introducing noise…

Machine Learning · Computer Science 2024-01-09 Issam K. O Jabari , Shofiyah , Pradiptya Kahvi S , Novi Nur Putriwijaya , Novanto Yudistira

Corrosion poses a significant challenge to the performance of aluminum alloys, particularly in marine environments. This study investigates the application of machine learning (ML) algorithms to predict and optimize corrosion resistance,…

Signal Processing · Electrical Eng. & Systems 2025-08-19 Farnaz Kaboudvand , Maham Khalid , Nydia Assaf , Vardaan Sahgal , Jon P. Ruffley , Brian J. McDermott

Gaussian process regression machine learning with a physically-informed kernel is used to model the phase compositions of nickel-base superalloys. The model delivers good predictions for laboratory and commercial superalloys, with $R^2>0.8$…

Materials Science · Physics 2021-09-29 Patrick L. Taylor , Gareth Conduit

Precision measurements of molecules offer an unparalleled paradigm to probe physics beyond the Standard Model. The rich internal structure within these molecules makes them exquisite sensors for detecting fundamental symmetry violations,…

Quantum Physics · Physics 2026-04-09 Anastasia Pipi , Xuecheng Tao , Arianna Wu , Prineha Narang , David R. Leibrandt

High entropy alloys (HEAs) offer unprecedented compositional flexibility for designing advanced materials, yet predicting their crystallographic phases remains a key bottleneck due to limited data and complex phase formation behavior. Here,…

Materials Science · Physics 2025-07-15 Diego Ibarra Hoyos , Gia-Wei Chern , Israel Klich , Joseph Poon

Laser degradation analysis is a crucial process for the enhancement of laser reliability. Here, we propose a data-driven fault detection approach based on Long Short-Term Memory (LSTM) recurrent neural networks to detect the different laser…

Signal Processing · Electrical Eng. & Systems 2022-03-24 Khouloud Abdelli , Danish Rafique , Stephan Pachnicke

Relating a set of variables X to a response y is crucial in chemometrics. A quantitative prediction objective can be enriched by qualitative data interpretation, for instance by locating the most influential features. When high-dimensional…

Machine Learning · Statistics 2023-04-21 Louna Alsouki , Laurent Duval , Clément Marteau , Rami El Haddad , François Wahl

Hybrid quantum-classical machine learning offers a promising direction for advancing automated quality control in industrial settings. In this study, we investigate two hybrid quantum-classical approaches for classifying defects in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Akshaya Srinivasan , Xiaoyin Cheng , Jianming Yi , Alexander Geng , Desislava Ivanova , Andreas Weinmann , Ali Moghiseh

Quantitative Structure-Activity Relationship (QSAR) modeling is a cornerstone of computational drug discovery. This research demonstrates the successful application of a Quantum Multiple Kernel Learning (QMKL) framework to enhance QSAR…

Quantum Physics · Physics 2025-12-17 Alejandro Giraldo , Daniel Ruiz , Mariano Caruso , Javier Mancilla , Guido Bellomo

Classical machine learning (CML) has been extensively studied for malware classification. With the emergence of quantum computing, quantum machine learning (QML) presents a paradigm-shifting opportunity to improve malware detection, though…

Machine Learning · Computer Science 2025-08-28 Jesus Lopez , Saeefa Rubaiyet Nowmi , Viviana Cadena , Mohammad Saidur Rahman

First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Chemical Physics · Physics 2020-08-18 Bing Huang , O. Anatole von Lilienfeld

With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to…

Materials Science · Physics 2022-07-05 Houchen Zuo , Yongquan Jiang , Yan Yang , Baoying Liu , Jie Hu

Early detection of lung cancer is crucial for effective treatment and relies on accurate volumetric assessment of pulmonary nodules in CT scans. Traditional methods, such as consolidation-to-tumor ratio (CTR) and spherical approximation,…

Image and Video Processing · Electrical Eng. & Systems 2025-08-29 Yihan Zhou , Haocheng Huang , Yue Yu , Jianhui Shang

Quantum computers have the potential to speed up certain computational tasks. A possibility this opens up within the field of machine learning is the use of quantum techniques that may be inefficient to simulate classically but could…

Quantum Physics · Physics 2025-05-19 Jamie Heredge , Charles Hill , Lloyd Hollenberg , Martin Sevior

Multimodal Large Language Models (MLLMs) hold huge potential for usage in the medical domain, but their computational costs necessitate efficient compression techniques. This paper evaluates the impact of structural pruning and…

Artificial Intelligence · Computer Science 2025-09-25 Tanvir A. Khan , Aranya Saha , Ismam N. Swapnil , Mohammad A. Haque

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

The evaluation and treatment of acute cerebral ischemia requires a technique that can determine the total area of tissue at risk for infarction using diagnostic magnetic resonance imaging (MRI) sequences. Typical MRI data sets consist of…

Computer Vision and Pattern Recognition · Computer Science 2016-06-14 Vishwa S. Parekh , Jeremy R. Jacobs , Michael A. Jacobs

Purpose of Review Recently, machine learning has developed rapidly in the field of medicine, playing an important role in disease diagnosis. Our aim of this paper is to provide an overview of the advancements in machine learning techniques…

Medical Physics · Physics 2024-05-15 Pukar Baral , Chen Zhao , Michele Esposito , Weihua Zhou

The present paper gives a review of our recent progress and latest results for novel linear-algebraic algorithms and its application to large-scale quantum material simulations or electronic structure calculations. The algorithms are…