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Attention-based functional-group coarse-graining: a deep learning framework for molecular prediction and design

Ming Han, Ge Sun, Paul F. Nealey, Juan J. de Pablo • npj Computational Materials (2025)

Abstract Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data...

DOAJ Open Access (DOAJ) DOI: 10.1038/s41524-025-01836-7

Precise diagnosis of Alzheimer’s disease based on sex-specific gray matter characteristics

Jiachen Chen, Jiachen Chen, Jiachen Chen, Kaiping Wang et al. • Frontiers in Neuroscience (2026)

IntroductionThere are notable sex differences in the gray matter of Alzheimer’s disease(AD) patients’ brains, but current evidence is insufficient to prove these differences aid diagnosis effectively.MethodsMultivariate analysis of variance...

DOAJ Open Access (DOAJ) DOI: 10.3389/fnins.2026.1755938

A Sensor-to-API Data Infrastructure for Building Digital Twins: Harmonizing Multi-Rate IoT Energy and Indoor Data Streams for Proactive Analytics

J. W. Njoroge, M. Koeva, M. Farnaghi, D. Petrova-Antonova et al. • ISPRS Annals of the Photogrammetry, Remote Sensing and Spatial Information Sciences (2026)

Digital twins are increasingly used in smart buildings to monitor energy use. This requires reliable sensor data, geospatial information, and semantically rich 3D building geometry. However, building sensor data often has inconsistent sampl...

DOAJ Open Access (DOAJ) DOI: 10.5194/isprs-annals-XII-4-W1-2026-251-2026

High temperature Nb-Si alloys using data science: optimization of fracture toughness and high-temperature strength

Chao Xu, Dezhi Chen, Xiaofu Zhang, Qi Wang et al. • Nature Communications (2026)

Abstract High temperature Nb-Si based alloys face a critical challenge: achieving adequate room-temperature fracture toughness ( > 18 MPa·m1/2) for processing while maintaining high-temperature strength, properties that typically compete wi...

DOAJ Open Access (DOAJ) DOI: 10.1038/s41467-026-75353-6

An introduction to quantum machine learning

Maria Schuld, Ilya Sinayskiy, Francesco Petruccione • Contemporary Physics (2014)

Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT...

OPENALEX Open Access DOI: https://doi.org/10.1080/00107514.2014.964942

Machine Learning in Virtual Screening

James L. Melville, Edmund K. Burke, Jonathan D. Hirst • Combinatorial Chemistry & High Throughput Screening (2009)

In this review, we highlight recent applications of machine learning to virtual screening, focusing on the use of supervised techniques to train statistical learning algorithms to prioritize databases of molecules as active against a partic...

OPENALEX DOI: https://doi.org/10.2174/138620709788167980

A Survey on Distributed Machine Learning

Joost Verbraeken, Matthijs Wolting, Jonathan Katzy, Jeroen Kloppenburg et al. • ACM Computing Surveys (2020)

The demand for artificial intelligence has grown significantly over the past decade, and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, to increase the qual...

OPENALEX Open Access DOI: https://doi.org/10.1145/3377454

Machine Learning With Python

Nikita Silaparasetty • Apress eBooks (2020)

In previous chapters, we saw what artificial intelligence is and how machine learning and deep learning techniques are used to train machines to become smart. In these next few chapters, we will learn how machines are trained to take data, ...

OPENALEX DOI: https://doi.org/10.1007/978-1-4842-5967-2_5

Machine learning in acoustics: Theory and applications

Michael J. Bianco, Peter Gerstoft, James A. Traer, Emma Reeves Ozanich et al. • The Journal of the Acoustical Society of America (2019)

Acoustic data provide scientific and engineering insights in fields ranging from biology and communications to ocean and Earth science. We survey the recent advances and transformative potential of machine learning (ML), including deep lear...

OPENALEX Open Access DOI: https://doi.org/10.1121/1.5133944

Machine Learning in Healthcare

Hafsa Habehh, Suril Gohel • Current Genomics (2021)

Recent advancements in Artificial Intelligence (AI) and Machine Learning (ML) technology have brought on substantial strides in predicting and identifying health emergencies, disease populations, and disease state and immune response, among...

OPENALEX Open Access DOI: https://doi.org/10.2174/1389202922666210705124359 PMC: 8822225

Machine learning in the Chinese stock market

Markus Leippold, Qian Wang, Wenyu Zhou • Journal of Financial Economics (2021)

We add to the emerging literature on empirical asset pricing in the Chinese stock market by building and analyzing a comprehensive set of return prediction factors using various machine learning algorithms. Contrasting previous studies for ...

OPENALEX cc-by DOI: https://doi.org/10.1016/j.jfineco.2021.08.017

Virtual CT Myelography: A Patch-Based Machine Learning Model to Improve Intraspinal Soft Tissue Visualization on Unenhanced Dual-Energy Lumbar Spine CT

Xuan V. Nguyen, Devi D. Nelakurti, Engin Dikici, Sema Candemir et al. • Information (2022)

Background: Distinguishing between the spinal cord and cerebrospinal fluid (CSF) non-invasively on CT is challenging due to their similar mass densities. We hypothesize that patch-based machine learning applied to dual-energy CT can accurat...

DOAJ Open Access (DOAJ) DOI: 10.3390/info13090412