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1.
Int. j. morphol ; 42(4): 970-976, ago. 2024. ilus, tab
Artigo em Inglês | LILACS | ID: biblio-1569272

RESUMO

SUMMARY: Since machine learning algorithms give more reliable results, they have been used in the field of health in recent years. The orbital variables give very successful results in classifying sex correctly. This research has focused on sex determination using certain variables obtained from the orbital images of the computerized tomography (CT) by using machine learning algorithms (ML). In this study 12 variables determined on 600 orbital images of 300 individuals (150 men and 150 women) were tested with different ML. Decision tree (DT), K-Nearest Neighbour (KNN), Logistic Regression (LR), Random Forest (RF), Linear Discriminant Analysis (LDA), and Naive Bayes (NB) algorithms of ML were used for unsupervised learning. Statistical analyses of the variables were conducted with Minitab® 21.2 (64-bit) program. ACC rate of NB, DT, KNN, and LR algorithms was found as % 83 while the ACC rate of LDA and RFC algorithms was determined as % 85. According to Shap analysis, the variable with the highest degree of effect was found as BOW. The study has determined the sex with high accuracy at the ratios of 0.83 and 0.85 through using the variables of the orbital CT images, and the related morphometric data of the population under question was acquired, emphasizing the racial variation.


Dado que los algoritmos de aprendizaje automático dan resultados más fiables, en los últimos años han sido utilizados en el campo de la salud. Las variables orbitales dan resultados muy exitosos a la hora de clasificar correctamente el sexo. Esta investigación se ha centrado en la determinación del sexo utilizando determinadas variables obtenidas a partir de las imágenes orbitales de la tomografía computarizada (TC) mediante el uso de algoritmos de aprendizaje automático (AA). En este estudio se probaron 12 variables determinadas en 600 imágenes orbitales de 300 individuos (150 hombres y 150 mujeres) con diferentes AA. Se utilizaron algoritmos de AA de árbol de decisión (DT), K-Nearest Neighbour, regresión logística (RL), Random Forest (RF), análisis discriminante lineal (ADL) y Naive Bayes (NB) para el aprendizaje no supervisado. Los análisis estadísticos de las variables se realizaron con el programa Minitab® 21.2 (64 bits). La tasa de ACC de los algoritmos NB, DT, KNN y RL se encontró en % 83, mientras que la tasa de ACC de los algoritmos ADL y RFC se determinó en % 85. Según el análisis de Sharp, la variable con el mayor grado de efecto se encontró como BOW. El estudio determinó el sexo con alta precisión en las proporciones de 0,83 y 0,85 mediante el uso de las variables de las imágenes de TC orbitales, y se adquirieron los datos morfométricos relacionados de la población en cuestión, enfatizando la variación racial.


Assuntos
Humanos , Masculino , Feminino , Órbita/diagnóstico por imagem , Tomografia Computadorizada por Raios X , Determinação do Sexo pelo Esqueleto , Aprendizado de Máquina , Órbita/anatomia & histologia , Algoritmos , Modelos Logísticos , Antropologia Forense , Imageamento Tridimensional
2.
J. bras. econ. saúde (Impr.) ; 16(2): 108-120, Agosto/2024.
Artigo em Português | LILACS-Express | LILACS | ID: biblio-1571621

RESUMO

Objetivo: O presente trabalho explora a percepção de gestores das áreas de Tecnologia e Inovação de hospitais privados brasileiros acerca do uso da inteligência artificial (IA) na saúde, com foco específico na personalização da experiência do paciente nesses hospitais. Métodos: Este trabalho se caracteriza como uma pesquisa descritiva transversal quantitativa. Foi desenvolvido um questionário com 14 questões que foi distribuído a uma amostra de gestores de tecnologia e inovação em hospitais, com o apoio da Associação Nacional de Hospitais Privados (ANAHP). O questionário foi disponibilizado em versão online à base de 122 hospitais associados à ANAHP. Resultados: Foram obtidas 30 respostas completas (aproximadamente 25% da base total), conquistando percepções sobre as vantagens, desvantagens e desafios éticos e técnicos relacionados ao emprego da IA na área clínica, particularmente em ambientes hospitalares. As respostas coletadas ratificaram o otimismo e a reserva dos profissionais de tecnologia e inovação em hospitais privados quanto ao poder e aos impactos da IA na personalização da experiência do paciente, bem como indicaram a necessidade de treinamento adequado para os funcionários desses hospitais, a fim de maximizar os benefícios da IA como ferramenta de apoio à tomada de decisão. Conclusões: Este trabalho é uma fonte de consulta para instituições de saúde que considerem utilizar a IA na personalização da experiência do paciente e queiram estabelecer treinamentos de pessoal baseados nesses princípios. Desse modo, os resultados aqui obtidos oferecem orientações valiosas para a adoção plena de IA no setor de saúde.


Objective: This study explores the perception of managers in the Technology and Innovation areas of Brazilian private hospitals regarding the use of artificial intelligence (AI) in healthcare, specifically focusing on patient experience personalization in these hospitals. Methods: This study is characterized as a quantitative cross-sectional descriptive research. A questionnaire with 14 questions was developed and distributed to a sample of technology and innovation managers in hospitals, with the support of the National Association of Private Hospitals (NAPH). The questionnaire was made available online to a base of 122 hospitals associated with NAPH. Results: 30 complete responses were obtained (nearly 25% of the total base), capturing perceptions on the advantages, disadvantages, and ethical and technical challenges related to the use of AI in clinical settings, particularly in hospital environments. The collected responses affirmed the optimism and caution of technology and innovation professionals in private hospitals regarding the power and impacts of AI on patient experience personalization, and indicated the need for adequate training for employees in these hospitals to maximize the benefits of AI as a decision support tool. Conclusions: This study serves as a reference for healthcare institutions considering the use of AI in patient experience personalization and aiming to establish personnel training based on these principles. Thus, the results obtained here offer valuable guidance for the full adoption of AI in the healthcare sector.

3.
J Med Phys ; 49(2): 189-202, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39131437

RESUMO

Purpose: This paper explores different machine learning (ML) algorithms for analyzing diffusion nuclear magnetic resonance imaging (dMRI) models when analytical fitting shows restrictions. It reviews various ML techniques for dMRI analysis and evaluates their performance on different b-values range datasets, comparing them with analytical methods. Materials and Methods: After standard fitting for reference, four sets of diffusion-weighted nuclear magnetic resonance images were used to train/test various ML algorithms for prediction of diffusion coefficient (D), pseudo-diffusion coefficient (D*), perfusion fraction (f), and kurtosis (K). ML classification algorithms, including extra-tree classifier (ETC), logistic regression, C-support vector, extra-gradient boost, and multilayer perceptron (MLP), were used to determine the existence of diffusion parameters (D, D*, f, and K) within single voxels. Regression algorithms, including linear regression, polynomial regression, ridge, lasso, random forest (RF), elastic-net, and support-vector machines, were used to estimate the value of the diffusion parameters. Performance was evaluated using accuracy (ACC), area under the curve (AUC) tests, and cross-validation root mean square error (RMSECV). Computational timing was also assessed. Results: ETC and MLP were the best classifiers, with 94.1% and 91.7%, respectively, for the ACC test and 98.7% and 96.3% for the AUC test. For parameter estimation, RF algorithm yielded the most accurate results The RMSECV percentages were: 8.39% for D, 3.57% for D*, 4.52% for f, and 3.53% for K. After the training phase, the ML methods demonstrated a substantial decrease in computational time, being approximately 232 times faster than the conventional methods. Conclusions: The findings suggest that ML algorithms can enhance the efficiency of dMRI model analysis and offer new perspectives on the microstructural and functional organization of biological tissues. This paper also discusses the limitations and future directions of ML-based dMRI analysis.

4.
Data Brief ; 55: 110728, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-39113788

RESUMO

The U.S. Gulf of Mexico contains a complex network of existing, decommissioned, and abandoned oil and gas pipelines, which are susceptible to a number of stressors in the natural-engineered offshore system including corrosion, environmental hazards, and human error. The age of these structures, coupled with extreme weather events increasing in intensity and occurrence from climate change, have resulted in detrimental environmental and operational impacts such as hydrocarbon release events and pipeline damage. To support the evaluation of pipeline infrastructure integrity for reusability, remediation, and risk prevention, the U.S. Gulf of Mexico Pipeline and Reported Incident Datasets were developed and published. These datasets, in addition to supporting advanced analytics, were constructed to inform regulatory, industry, and research stakeholders. They encompass more than 490 attributes relating to structural information, incident reports, environmental loading statistics, seafloor factors, and potential geohazards, all of which have been spatially, and in some cases temporally matched to more than 89,000 oil and gas pipeline locations. Attributes were acquired or derived from publicly available, credible resources, and were processed using a combination of manual efforts and customized scripts, including big data processing using supercomputing resources. The resulting datasets comprise a spatial geodatabase, tabular files, and metadata. These datasets are publicly available through the Energy Data eXchange®, a curated online data and research library and laboratory developed by the U.S. Department of Energy's National Energy Technology Laboratory. This article describes the contents of the datasets, details the methods involved in processing and curation, and suggests application of the data to inform and mitigate risk associated with offshore pipeline infrastructure in the Gulf of Mexico.

5.
PeerJ Comput Sci ; 10: e2241, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39145214

RESUMO

In times of lockdown due to the COVID-19 pandemic, it has been detected that some students are unable to dedicate enough time to their education. They present signs of frustration and even apathy towards dropping out of school. In addition, feelings of fear, anxiety, desperation, and depression are now present because society has not yet been able to adapt to the new way of living. Therefore, this article analyzes the feelings that university students of the Instituto Tecnológico Superior de Misantla present when using long distance education tools during COVID-19 pandemic in Mexico. The results suggest that isolation, because of the pandemic situation, generated high levels of anxiety and depression. Moreover, there are connections between feelings generated by lockdown and school performance while using e-learning platforms. The findings of this research reflect the students' feelings, useful information that could lead to the development and implementation of pedagogical strategies that allow improving the students' academic performance results.

6.
Sensors (Basel) ; 24(15)2024 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-39124011

RESUMO

Load recognition remains not comprehensively explored in Home Energy Management Systems (HEMSs). There are gaps in current approaches to load recognition, such as enhancing appliance identification and increasing the overall performance of the load-recognition system through more robust models. To address this issue, we propose a novel approach based on the Analysis of Variance (ANOVA) F-test combined with SelectKBest and gradient-boosting machines (GBMs) for load recognition. The proposed approach improves the feature selection and consequently aids inter-class separability. Further, we optimized GBM models, such as the histogram-based gradient-boosting machine (HistGBM), light gradient-boosting machine (LightGBM), and XGBoost (extreme gradient boosting), to create a more reliable load-recognition system. Our findings reveal that the ANOVA-GBM approach achieves greater efficiency in training time, even when compared to Principal Component Analysis (PCA) and a higher number of features. ANOVA-XGBoost is approximately 4.31 times faster than PCA-XGBoost, ANOVA-LightGBM is about 5.15 times faster than PCA-LightGBM, and ANOVA-HistGBM is 2.27 times faster than PCA-HistGBM. The general performance results expose the impact on the overall performance of the load-recognition system. Some of the key results show that the ANOVA-LightGBM pair reached 96.42% accuracy, 96.27% F1, and a Kappa index of 0.9404; the ANOVA-HistGBM combination achieved 96.64% accuracy, 96.48% F1, and a Kappa index of 0.9434; and the ANOVA-XGBoost pair attained 96.75% accuracy, 96.64% F1, and a Kappa index of 0.9452; such findings overcome rival methods from the literature. In addition, the accuracy gain of the proposed approach is prominent when compared straight to its competitors. The higher accuracy gains were 13.09, 13.31, and 13.42 percentage points (pp) for the pairs ANOVA-LightGBM, ANOVA-HistGBM, and ANOVA-XGBoost, respectively. These significant improvements highlight the effectiveness and refinement of the proposed approach.

7.
Molecules ; 29(15)2024 Jul 28.
Artigo em Inglês | MEDLINE | ID: mdl-39124967

RESUMO

The development of new methods of identification of active pharmaceutical ingredients (API) is a subject of paramount importance for research centers, the pharmaceutical industry, and law enforcement agencies. Here, a system for identifying and classifying pharmaceutical tablets containing acetaminophen (AAP) by brand has been developed. In total, 15 tablets of 11 brands for a total of 165 samples were analyzed. Mid-infrared vibrational spectroscopy with multivariate analysis was employed. Quantum cascade lasers (QCLs) were used as mid-infrared sources. IR spectra in the spectral range 980-1600 cm-1 were recorded. Five different classification methods were used. First, a spectral search through correlation indices. Second, machine learning algorithms such as principal component analysis (PCA), support vector classification (SVC), decision tree classifier (DTC), and artificial neural network (ANN) were employed to classify tablets by brands. SNV and first derivative were used as preprocessing to improve the spectral information. Precision, recall, specificity, F1-score, and accuracy were used as criteria to evaluate the best SVC, DEE, and ANN classification models obtained. The IR spectra of the tablets show characteristic vibrational signals of AAP and other APIs present. Spectral classification by spectral search and PCA showed limitations in differentiating between brands, particularly for tablets containing AAP as the only API. Machine learning models, specifically SVC, achieved high accuracy in classifying AAP tablets according to their brand, even for brands containing only AAP.


Assuntos
Acetaminofen , Aprendizado de Máquina , Análise de Componente Principal , Espectrofotometria Infravermelho , Comprimidos , Acetaminofen/química , Acetaminofen/análise , Comprimidos/química , Espectrofotometria Infravermelho/métodos , Redes Neurais de Computação , Algoritmos , Máquina de Vetores de Suporte
8.
Diagnostics (Basel) ; 14(15)2024 Jul 27.
Artigo em Inglês | MEDLINE | ID: mdl-39125499

RESUMO

Type 2 diabetes mellitus (T2DM) is one of the most common metabolic diseases in the world and poses a significant public health challenge. Early detection and management of this metabolic disorder is crucial to prevent complications and improve outcomes. This paper aims to find core differences in male and female markers to detect T2DM by their clinic and anthropometric features, seeking out ranges in potential biomarkers identified to provide useful information as a pre-diagnostic tool whie excluding glucose-related biomarkers using machine learning (ML) models. We used a dataset containing clinical and anthropometric variables from patients diagnosed with T2DM and patients without TD2M as control. We applied feature selection with three different techniques to identify relevant biomarker models: an improved recursive feature elimination (RFE) evaluating each set from all the features to one feature with the Akaike information criterion (AIC) to find optimal outputs; Least Absolute Shrinkage and Selection Operator (LASSO) with glmnet; and Genetic Algorithms (GA) with GALGO and forward selection (FS) applied to GALGO output. We then used these for comparison with the AIC to measure the performance of each technique and collect the optimal set of global features. Then, an implementation and comparison of five different ML models was carried out to identify the most accurate and interpretable one, considering the following models: logistic regression (LR), artificial neural network (ANN), support vector machine (SVM), k-nearest neighbors (KNN), and nearest centroid (Nearcent). The models were then combined in an ensemble to provide a more robust approximation. The results showed that potential biomarkers such as systolic blood pressure (SBP) and triglycerides are together significantly associated with T2DM. This approach also identified triglycerides, cholesterol, and diastolic blood pressure as biomarkers with differences between male and female actors that have not been previously reported in the literature. The most accurate ML model was selection with RFE and random forest (RF) as the estimator improved with the AIC, which achieved an accuracy of 0.8820. In conclusion, this study demonstrates the potential of ML models in identifying potential biomarkers for early detection of T2DM, excluding glucose-related biomarkers as well as differences between male and female anthropometric and clinic profiles. These findings may help to improve early detection and management of the T2DM by accounting for differences between male and female subjects in terms of anthropometric and clinic profiles, potentially reducing healthcare costs and improving personalized patient attention. Further research is needed to validate these potential biomarkers ranges in other populations and clinical settings.

9.
Ann Hepatol ; 29(6): 101540, 2024 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-39151891

RESUMO

INTRODUCTION AND OBJECTIVES: The increasing incidence of hepatocellular carcinoma (HCC) in China is an urgent issue, necessitating early diagnosis and treatment. This study aimed to develop personalized predictive models by combining machine learning (ML) technology with a demographic, medical history, and noninvasive biomarker data. These models can enhance the decision-making capabilities of physicians for HCC in hepatitis B virus (HBV)-related cirrhosis patients with low serum alpha-fetoprotein (AFP) levels. PATIENTS AND METHODS: A total of 6,980 patients treated between January 2012 and December 2018 were included. Pre-treatment laboratory tests and clinical data were obtained. The significant risk factors for HCC were identified, and the relative risk of each variable affecting its diagnosis was calculated using ML and univariate regression analysis. The data set was then randomly partitioned into validation (20 %) and training sets (80 %) to develop the ML models. RESULTS: Twelve independent risk factors for HCC were identified using Gaussian naïve Bayes, extreme gradient boosting (XGBoost), random forest, and least absolute shrinkage and selection operation regression models. Multivariate analysis revealed that male sex, age >60 years, alkaline phosphate >150 U/L, AFP >25 ng/mL, carcinoembryonic antigen >5 ng/mL, and fibrinogen >4 g/L were the risk factors, whereas hypertension, calcium <2.25 mmol/L, potassium ≤3.5 mmol/L, direct bilirubin >6.8 µmol/L, hemoglobin <110 g/L, and glutamic-pyruvic transaminase >40 U/L were the protective factors in HCC patients. Based on these factors, a nomogram was constructed, showing an area under the curve (AUC) of 0.746 (sensitivity = 0.710, specificity=0.646), which was significantly higher than AFP AUC of 0.658 (sensitivity = 0.462, specificity=0.766). Compared with several ML algorithms, the XGBoost model had an AUC of 0.832 (sensitivity = 0.745, specificity=0.766) and an independent validation AUC of 0.829 (sensitivity = 0.766, specificity = 0.737), making it the top-performing model in both sets. The external validation results have proven the accuracy of the XGBoost model. CONCLUSIONS: The proposed XGBoost demonstrated a promising ability for individualized prediction of HCC in HBV-related cirrhosis patients with low-level AFP.

10.
JMIR Res Protoc ; 13: e55466, 2024 Aug 12.
Artigo em Inglês | MEDLINE | ID: mdl-39133913

RESUMO

BACKGROUND: The use of technologies has had a significant impact on patient safety and the quality of care and has increased globally. In the literature, it has been reported that people die annually due to adverse events (AEs), and various methods exist for investigating and measuring AEs. However, some methods have a limited scope, data extraction, and the need for data standardization. In Brazil, there are few studies on the application of trigger tools, and this study is the first to create automated triggers in ambulatory care. OBJECTIVE: This study aims to develop a machine learning (ML)-based automated trigger for outpatient health care settings in Brazil. METHODS: A mixed methods research will be conducted within a design thinking framework and the principles will be applied in creating the automated triggers, following the stages of (1) empathize and define the problem, involving observations and inquiries to comprehend both the user and the challenge at hand; (2) ideation, where various solutions to the problem are generated; (3) prototyping, involving the construction of a minimal representation of the best solutions; (4) testing, where user feedback is obtained to refine the solution; and (5) implementation, where the refined solution is tested, changes are assessed, and scaling is considered. Furthermore, ML methods will be adopted to develop automated triggers, tailored to the local context in collaboration with an expert in the field. RESULTS: This protocol describes a research study in its preliminary stages, prior to any data gathering and analysis. The study was approved by the members of the organizations within the institution in January 2024 and by the ethics board of the University of São Paulo and the institution where the study will take place. in May 2024. As of June 2024, stage 1 commenced with data gathering for qualitative research. A separate paper focused on explaining the method of ML will be considered after the outcomes of stages 1 and 2 in this study. CONCLUSIONS: After the development of automated triggers in the outpatient setting, it will be possible to prevent and identify potential risks of AEs more promptly, providing valuable information. This technological innovation not only promotes advances in clinical practice but also contributes to the dissemination of techniques and knowledge related to patient safety. Additionally, health care professionals can adopt evidence-based preventive measures, reducing costs associated with AEs and hospital readmissions, enhancing productivity in outpatient care, and contributing to the safety, quality, and effectiveness of care provided. Additionally, in the future, if the outcome is successful, there is the potential to apply it in all units, as planned by the institutional organization. INTERNATIONAL REGISTERED REPORT IDENTIFIER (IRRID): PRR1-10.2196/55466.


Assuntos
Assistência Ambulatorial , Aprendizado de Máquina , Humanos , Brasil , Segurança do Paciente
11.
BMC Public Health ; 24(1): 2131, 2024 Aug 06.
Artigo em Inglês | MEDLINE | ID: mdl-39107721

RESUMO

BACKGROUND: The temporal relationships across cardiometabolic diseases (CMDs) were recently conceptualized as the cardiometabolic continuum (CMC), sequence of cardiovascular events that stem from gene-environmental interactions, unhealthy lifestyle influences, and metabolic diseases such as diabetes, and hypertension. While the physiological pathways linking metabolic and cardiovascular diseases have been investigated, the study of the sex and population differences in the CMC have still not been described. METHODS: We present a machine learning approach to model the CMC and investigate sex and population differences in two distinct cohorts: the UK Biobank (17,700 participants) and the Brazilian Longitudinal Study of Adult Health (ELSA-Brasil) (7162 participants). We consider the following CMDs: hypertension (Hyp), diabetes (DM), heart diseases (HD: angina, myocardial infarction, or heart failure), and stroke (STK). For the identification of the CMC patterns, individual trajectories with the time of disease occurrence were clustered using k-means. Based on clinical, sociodemographic, and lifestyle characteristics, we built multiclass random forest classifiers and used the SHAP methodology to evaluate feature importance. RESULTS: Five CMC patterns were identified across both sexes and cohorts: EarlyHyp, FirstDM, FirstHD, Healthy, and LateHyp, named according to prevalence and disease occurrence time that depicted around 95%, 78%, 75%, 88% and 99% of individuals, respectively. Within the UK Biobank, more women were classified in the Healthy cluster and more men in all others. In the EarlyHyp and LateHyp clusters, isolated hypertension occurred earlier among women. Smoking habits and education had high importance and clear directionality for both sexes. For ELSA-Brasil, more men were classified in the Healthy cluster and more women in the FirstDM. The diabetes occurrence time when followed by hypertension was lower among women. Education and ethnicity had high importance and clear directionality for women, while for men these features were smoking, alcohol, and coffee consumption. CONCLUSIONS: There are clear sex differences in the CMC that varied across the UK and Brazilian cohorts. In particular, disadvantages regarding incidence and the time to onset of diseases were more pronounced in Brazil, against woman. The results show the need to strengthen public health policies to prevent and control the time course of CMD, with an emphasis on women.


Assuntos
Doenças Cardiovasculares , Aprendizado de Máquina , Adulto , Idoso , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Brasil/epidemiologia , Fatores de Risco Cardiometabólico , Doenças Cardiovasculares/epidemiologia , Estudos de Coortes , Estudos Longitudinais , Fatores Sexuais , Biobanco do Reino Unido , Reino Unido/epidemiologia
12.
Front Plant Sci ; 15: 1373318, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39086911

RESUMO

Coffee Breeding programs have traditionally relied on observing plant characteristics over years, a slow and costly process. Genomic selection (GS) offers a DNA-based alternative for faster selection of superior cultivars. Stacking Ensemble Learning (SEL) combines multiple models for potentially even more accurate selection. This study explores SEL potential in coffee breeding, aiming to improve prediction accuracy for important traits [yield (YL), total number of the fruits (NF), leaf miner infestation (LM), and cercosporiosis incidence (Cer)] in Coffea Arabica. We analyzed data from 195 individuals genotyped for 21,211 single-nucleotide polymorphism (SNP) markers. To comprehensively assess model performance, we employed a cross-validation (CV) scheme. Genomic Best Linear Unbiased Prediction (GBLUP), multivariate adaptive regression splines (MARS), Quantile Random Forest (QRF), and Random Forest (RF) served as base learners. For the meta-learner within the SEL framework, various options were explored, including Ridge Regression, RF, GBLUP, and Single Average. The SEL method was able to predict the predictive ability (PA) of important traits in Coffea Arabica. SEL presented higher PA compared with those obtained for all base learner methods. The gains in PA in relation to GBLUP were 87.44% (the ratio between the PA obtained from best Stacking model and the GBLUP), 37.83%, 199.82%, and 14.59% for YL, NF, LM and Cer, respectively. Overall, SEL presents a promising approach for GS. By combining predictions from multiple models, SEL can potentially enhance the PA of GS for complex traits.

13.
Curr Med Chem ; 2024 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-39092736

RESUMO

BACKGROUND: Computational assessment of the energetics of protein-ligand complexes is a challenge in the early stages of drug discovery. Previous comparative studies on computational methods to calculate the binding affinity showed that targeted scoring functions outperform universal models. OBJECTIVE: The goal here is to review the application of a simple physics-based model to estimate the binding. The focus is on a mass-spring system developed to predict binding affinity against cyclin-dependent kinase. METHOD: Publications in PubMed were searched to find mass-spring models to predict binding affinity. Crystal structures of cyclin-dependent kinases found in the protein data bank and two web servers to calculate affinity based on the atomic coordinates were employed. RESULTS: One recent study showed how a simple physics-based scoring function (named Taba) could contribute to the analysis of protein-ligand interactions. Taba methodology outperforms robust physics-based models implemented in docking programs such as AutoDock4 and Molegro Virtual Docker. Predictive metrics of 27 scoring functions and energy terms highlight the superior performance of the Taba scoring function for cyclin- dependent kinase. CONCLUSION: The recent progress of machine learning methods and the availability of these techniques through free libraries boosted the development of more accurate models to address protein-ligand interactions. Combining a naïve mass-spring system with machine-learning techniques generated a targeted scoring function with superior predictive performance to estimate pKi.

14.
Parasit Vectors ; 17(1): 329, 2024 Aug 02.
Artigo em Inglês | MEDLINE | ID: mdl-39095920

RESUMO

BACKGROUND: Identifying mosquito vectors is crucial for controlling diseases. Automated identification studies using the convolutional neural network (CNN) have been conducted for some urban mosquito vectors but not yet for sylvatic mosquito vectors that transmit the yellow fever. We evaluated the ability of the AlexNet CNN to identify four mosquito species: Aedes serratus, Aedes scapularis, Haemagogus leucocelaenus and Sabethes albiprivus and whether there is variation in AlexNet's ability to classify mosquitoes based on pictures of four different body regions. METHODS: The specimens were photographed using a cell phone connected to a stereoscope. Photographs were taken of the full-body, pronotum and lateral view of the thorax, which were pre-processed to train the AlexNet algorithm. The evaluation was based on the confusion matrix, the accuracy (ten pseudo-replicates) and the confidence interval for each experiment. RESULTS: Our study found that the AlexNet can accurately identify mosquito pictures of the genus Aedes, Sabethes and Haemagogus with over 90% accuracy. Furthermore, the algorithm performance did not change according to the body regions submitted. It is worth noting that the state of preservation of the mosquitoes, which were often damaged, may have affected the network's ability to differentiate between these species and thus accuracy rates could have been even higher. CONCLUSIONS: Our results support the idea of applying CNNs for artificial intelligence (AI)-driven identification of mosquito vectors of tropical diseases. This approach can potentially be used in the surveillance of yellow fever vectors by health services and the population as well.


Assuntos
Aedes , Mosquitos Vetores , Redes Neurais de Computação , Febre Amarela , Animais , Mosquitos Vetores/classificação , Febre Amarela/transmissão , Aedes/classificação , Aedes/fisiologia , Algoritmos , Processamento de Imagem Assistida por Computador/métodos , Culicidae/classificação , Inteligência Artificial
15.
Data Brief ; 55: 110678, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-39100781

RESUMO

In recent years, there has been significant growth in the development of Machine Learning (ML) models across various fields, such as image and sound recognition and natural language processing. They need to be trained with a large enough data set, ensuring predictions or results are as accurate as possible. When it comes to models for audio recognition, specifically the detection of car horns, the datasets are generally not built considering the specificities of the different scenarios that may exist in real traffic, being limited to collections of random horns, whose sources are sometimes collected from audio streaming sites. There are benefits associated with a ML model trained on data tailored for horn detection. One notable advantage is the potential implementation of horn detection in smartphones and smartwatches equipped with embedded models to aid hearing-impaired individuals while driving and alert them in potentially hazardous situations, thus promoting social inclusion. Given these considerations, we developed a dataset specifically for car horns. This dataset has 1,080 one-second-long .wav audio files categorized into two classes: horn and not horn. The data collection followed a carefully established protocol designed to encompass different scenarios in a real traffic environment, considering diverse relative positions between the involved vehicles. The protocol defines ten distinct scenarios, incorporating variables within the car receiving the horn, including the presence of internal conversations, music, open or closed windows, engine status (on or off), and whether the car is stationary or in motion. Additionally, there are variations in scenarios associated with the vehicle emitting the horn, such as its relative position-behind, alongside, or in front of the receiving vehicle-and the types of horns used, which may include a short honk, a prolonged one, or a rhythmic pattern of three quick honks. The data collection process started with simultaneous audio recordings on two smartphones positioned inside the receiving vehicle, capturing all scenarios in a single audio file on each device. A 400-meter route was defined in a controlled area, so the audio recordings could be carried out safely. For each established scenario, the route was covered with emissions of different types of horns in distinct positions between the vehicles, and then the route was restarted in the next scenario. After the collection phase, the data preprocessing involved manually cutting each horn sound in multiple one-second windowing profiles, saving them in PCM stereo .wav files with a 16-bit depth and a 44.1 kHz sampling rate. For each horn clipping, a corresponding non-horn clipping in close proximity was performed, ensuring a balanced model. This dataset was designed for utilization in various machine learning algorithms, whether for detecting horns with the binary labels, or classifying different patterns of horns by rearranging labels considering the file nomenclature. In technical validation, classifications were performed using a convolutional neural network trained with spectrograms from the dataset's audio, achieving an average accuracy of 89% across 100 trained models.

16.
BMC Psychiatry ; 24(1): 531, 2024 Jul 24.
Artigo em Inglês | MEDLINE | ID: mdl-39048987

RESUMO

BACKGROUND: Depression can be associated with increased mortality and morbidity, but no studies have investigated the specific causes of death based on autopsy reports. Autopsy studies can yield valuable and detailed information on pathological ailments or underreported conditions. This study aimed to compare autopsy-confirmed causes of death (CoD) between individuals diagnosed with major depressive disorder (MDD) and matched controls. We also analyzed subgroups within our MDD sample, including late-life depression and recurrent depression. We further investigated whether machine learning (ML) algorithms could distinguish MDD and each subgroup from controls based on their CoD. METHODS: We conducted a comprehensive analysis of CoD in individuals who died from nontraumatic causes. The diagnosis of lifetime MDD was ascertained based on the DSM-5 criteria using information from a structured interview with a knowledgeable informant. Eleven established ML algorithms were used to differentiate MDD individuals from controls by simultaneously analyzing different disease category groups to account for multiple tests. The McNemar test was further used to compare paired nominal data. RESULTS: The initial dataset included records of 1,102 individuals, among whom 232 (21.1%) had a lifetime diagnosis of MDD. Each MDD individual was strictly paired with a control non-psychiatric counterpart. In the MDD group, the most common CoD were circulatory (67.2%), respiratory (13.4%), digestive (6.0%), and cancer (5.6%). Despite employing a range of ML models, we could not find distinctive CoD patterns that could reliably distinguish individuals with MDD from individuals in the control group (average accuracy: 50.6%; accuracy range: 39-59%). These findings were consistent even when considering factors within the MDD group, such as late-life or recurrent MDD. When comparing groups with paired nominal tests, no differences were found for circulatory (p=0.450), respiratory (p=0.790), digestive (p=1.000), or cancer (p=0.855) CoD. CONCLUSIONS: Our analysis revealed that autopsy-confirmed CoD exhibited remarkable similarity between individuals with depression and their matched controls, underscoring the existing heterogeneity in the literature. Future research should prioritize more severe manifestations of depression and larger sample sizes, particularly in the context of CoD related to cancer.


Assuntos
Autopsia , Causas de Morte , Transtorno Depressivo Maior , Aprendizado de Máquina , Humanos , Transtorno Depressivo Maior/diagnóstico , Masculino , Feminino , Pessoa de Meia-Idade , Adulto , Idoso , Estudos de Casos e Controles , Idoso de 80 Anos ou mais
17.
Sci Rep ; 14(1): 16697, 2024 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-39030254

RESUMO

This work introduces a quantum subroutine for computing the distance between two patterns and integrates it into two quantum versions of the kNN classifier algorithm: one proposed by Schuld et al. and the other proposed by Quezada et al. Notably, our proposed subroutine is tailored to be memory-efficient, requiring fewer qubits for data encoding, while maintaining the overall complexity for both QkNN versions. This research focuses on comparing the performance of the two quantum kNN algorithms using the original Hamming distance with qubit-encoded features and our proposed subroutine, which computes the distance using amplitude-encoded features. Results obtained from analyzing thirteen different datasets (Iris, Seeds, Raisin, Mine, Cryotherapy, Data Bank Authentication, Caesarian, Wine, Haberman, Transfusion, Immunotherapy, Balance Scale, and Glass) show that both algorithms benefit from the proposed subroutine, achieving at least a 50% reduction in the number of required qubits, while maintaining a similar overall performance. For Shuld's algorithm, the performance improved in Cryotherapy (68.89% accuracy compared to 64.44%) and Balance Scale (85.33% F1 score compared to 78.89%), was worse in Iris (86.0% accuracy compared to 95.33%) and Raisin (77.67% accuracy compared to 81.56%), and remained similar in the remaining nine datasets. While for Quezada's algorithm, the performance improved in Caesarian (68.89% F1 score compared to 58.22%), Haberman (69.94% F1 score compared to 62.31%) and Immunotherapy (76.88% F1 score compared to 69.67%), was worse in Iris (82.67% accuracy compared to 95.33%), Balance Scale (77.97% F1 score compared to 69.21%) and Glass (40.04% F1 score compared to 28.79%), and remained similar in the remaining seven datasets.

18.
Comput Biol Med ; 179: 108856, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39053332

RESUMO

Various studies have emphasized the importance of identifying the optimal Trigger Timing (TT) for the trigger shot in In Vitro Fertilization (IVF), which is crucial for the successful maturation and release of oocytes, especially in minimal ovarian stimulation treatments. Despite its significance for the ultimate success of IVF, determining the precise TT remains a complex challenge for physicians due to the involvement of multiple variables. This study aims to enhance TT by developing a machine learning multi-output model that predicts the expected number of retrieved oocytes, mature oocytes (MII), fertilized oocytes (2 PN), and useable blastocysts within a 48-h window after the trigger shot in minimal stimulation cycles. By utilizing this model, physicians can identify patients with possible early, late, or on-time trigger shots. The study found that approximately 27 % of treatments administered the trigger shot on a suboptimal day, but optimizing the TT using the developed Artificial Intelligence (AI) model can potentially increase useable blastocyst production by 46 %. These findings highlight the potential of predictive models as a supplementary tool for optimizing trigger shot timing and improving IVF outcomes, particularly in minimal ovarian stimulation. The experimental results underwent statistical validation, demonstrating the accuracy and performance of the model. Overall, this study emphasizes the value of AI prediction models in enhancing TT and making the IVF process safer and more efficient.


Assuntos
Fertilização in vitro , Aprendizado de Máquina , Indução da Ovulação , Humanos , Feminino , Indução da Ovulação/métodos , Fertilização in vitro/métodos , Adulto
19.
Sci Rep ; 14(1): 17311, 2024 Jul 27.
Artigo em Inglês | MEDLINE | ID: mdl-39068237

RESUMO

Soil mineralogy and texture are directly related to soil carbon due to the physical properties of the clay surface. Traditional techniques for quantifying carbon in soil are time-consuming and expensive, making large-scale quantification for mapping unfeasible. The alternative is the use of soil sensors, such as diffuse reflectance spectroscopy (DRS), an economical, fast, and accurate technique for predicting carbon stocks. In this sense, this study aimed to (a) investigate the relationship of C with different soil mineralogical, chemical, and physical attributes for different geological and geomorphological compartments; (b) understand which spectral bands are most important for estimating C content; (c) estimate C content from diffuse reflectance spectroscopy using different mathematical techniques and indicate which one is the best for tropical soil conditions; and (d) map C contents in detail. The study area was the Western Plateau of São Paulo (WPSP), which covers approximately 13 million hectares (~ 48% of the State of São Paulo, Brazil). A total of 265 samples were collected in this area. The attributes clay, silt, sand, crystalline and non-crystalline iron, base saturation, soil density, total pore volume, total C, C stock, kaolinite/(kaolinite + gibbsite) and hematite/(hematite + goethite), hematite and goethite contents, and spectral curves were evaluated. The spectra were recorded at 0.5-nm intervals, with an integration time of 2.43 nm s-1 over the 350 to 2500-nm range (350-800 nm-visible-VIS and 801-2500 nm-near-infrared-NIR). The data were subjected to descriptive statistics, Spearman correlation, stepwise analysis, and cluster grouping for characterization purposes; partial least squares regression (PLSR) and random forest (RF) for estimation purposes; and geostatistics analysis for creation of spatial maps. Our results indicate that the highest C contents are associated with more clayey soils, oxidic mineralogy, higher total pore volume, and lower soil density in highly dissected basalt compartments. The random forest algorithm associated with the Vis-NIR spectral range is more efficient for estimating and mapping C contents. This suggests that integrating diffuse reflectance spectroscopy with machine learning techniques holds promise for shaping public policies related to land use, mitigating CO2 emissions, and facilitating the implementation of carbon credit policies in a rapid and economically efficient manner.

20.
Data Brief ; 55: 110688, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-39071967

RESUMO

High-voltage power line insulators are crucial for safe and efficient electricity transmission. However, real-world image limitations, particularly regarding dirty insulator strings, delay the development of robust algorithms for insulator inspection. This dataset addresses this challenge by creating a novel synthetic high-voltage power line insulator image database. The database was created using computer-aided design softwares and a game development engine. Publicly available CAD models of high-voltage towers with the most common insulator types (polymer, glass, and porcelain) were imported into the game engine. This virtual environment allowed for the generation of a diverse dataset by manipulating virtual cameras, simulating various lighting conditions, and incorporating different backgrounds such as mountains, forests, plantation, rivers, city and deserts. The database comprises two main sets: The Image Segmentation Set, which includes 47,286 images categorized by insulator material (ceramic, polymeric, and glass) and landscape type (mountains, forests, plantation, rivers, city and deserts). Moreover, the Image Classification Set that contains 14,424 images simulating common insulator string contaminants: salt, soot, bird excrement, and clean insulators. Each contaminant category has 3,606 images divided into 1,202 images per insulator type. This synthetic database offers a valuable resource for training and evaluating machine learning algorithms for high-voltage power line insulator inspection, ultimately contributing to enhanced power grid maintenance and reliability.

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