AIMC Topic: Principal Component Analysis

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Unsupervised Machine Learning-Based Image Recognition of Raw Infrared Spectra: Toward Chemist-like Chemical Structural Classification and Beyond Numerical Data.

Journal of chemical information and modeling
Recent advances in artificial intelligence have significantly improved spectral data analysis. In this study, we used unsupervised machine learning to classify chemical compounds based on infrared (IR) spectral images, without relying on prior chemic...

Classification of skeletal discrepancies by machine learning based on three-dimensional facial scans.

International journal of oral and maxillofacial surgery
The aim of this study was to use machine learning (ML) to classify sagittal and vertical skeletal discrepancies in three-dimensional (3D) facial scans, as well as to evaluate shape variability. 3D facial scans from 435 pre-orthodontic patients were s...

Exploiting adaptive neuro-fuzzy inference systems for cognitive patterns in multimodal brain signal analysis.

Scientific reports
The analysis of cognitive patterns through brain signals offers critical insights into human cognition, including perception, attention, memory, and decision-making. However, accurately classifying these signals remains a challenge due to their inher...

Precision soil sampling strategy for the delineation of management zones in olive cultivation using unsupervised machine learning methods.

Scientific reports
Climate change and environmental degradation pose a significant threat to the global community. Soil management is one of the critical factors for achieving climate neutrality, as plants and soils together currently absorb approximately 30% of the CO...

Geographical origin differentiation of Philippine Robusta coffee (C. canephora) using X-ray fluorescence-based elemental profiling with chemometrics and machine learning.

Food chemistry
The increasing demand for authenticity and traceability in high-value crops underscores the need for reliable methods to verify the geographical origin of single-origin coffee and prevent fraud. This study explores a rapid and cost-effective approach...

Prediction of river dissolved oxygen (DO) based on multi-source data and various machine learning coupling models.

PloS one
Too low a concentration of dissolved oxygen (DO) in a river can disrupt the ecological balance, while too high a concentration may lead to eutrophication of the water body and threaten the health of the aquatic environment. Therefore, accurate predic...

Considerations regarding the selection, sampling, extraction, analysis, and modelling of biomarkers in exhaled breath for early lung cancer screening.

Journal of pharmaceutical and biomedical analysis
Lung cancer (LC) is the deadliest cancer due to the lack of efficient screening methods that detect the disease early. This review, covering the years 2011 - 2025, summarizes state-of-the-art LC screening through analysis of volatile organic compound...

Advanced machine learning-driven characterization of new natural cellulosic Lablab purpureus fibers through PCA and K-means clustering techniques.

International journal of biological macromolecules
The increasing demand for sustainable and eco-friendly materials has spurred significant interest in natural fibers as alternatives to synthetic reinforcements in composite applications. This study aims to explore the potential of Lablab purpureus fi...

Tracking the spatiotemporal evolution of groundwater chemistry in the Quaternary aquifer system of Debrecen area, Hungary: integration of classical and unsupervised learning methods.

Environmental science and pollution research international
Monitoring changes in groundwater quality over time helps identify time-dependent factors influencing water safety and supports the development of effective management strategies. This study investigates the spatiotemporal evolution of groundwater ch...

Predicting oleogels properties using non-invasive spectroscopic techniques and machine learning.

Food research international (Ottawa, Ont.)
Oleogelators are considered food additives that require approval from regulatory authorities. Therefore, classifying these ingredients that may have characteristics (e.g., waxiness), cost and origin (e.g., animal or vegetable) is crucial to ensure co...