Learning-based Classification Research Articles

Exploring emerald global geochemical provenance through fingerprinting and machine learning methods

Emeralds – the green colored variety of beryl – occur as gem-quality specimens in over fifty deposits globally. While digital traceability methods for emerald have limitations, sample-based approaches offer robust alternatives, particularly for determining the geographic origin of emerald. Three factors make emerald suitable for provenance studies and hence for developing models for origin determination. First, the diverse elemental chemistry of emerald at minor (<1 wt%) and trace levels (<1 to 100’s ppmw) exhibits unique inter-element fractionations between global deposits. Second, minimally destructive techniques, including laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), enable measurement of these diagnostic elemental signatures. Third, when applied to extensive datasets, machine learning (ML) techniques enable the creation of predictive models and statistical discrimination with adequate characterization of the deposits. This study employs a carefully selected dataset comprising more than 1000 LA-ICP-MS analyses of gem-quality emeralds, enriched with new analyses. This dataset represents the largest available for global emerald deposits. We conducted unsupervised exploratory analysis using Principal Component Analysis (PCA). For machine learning-based classification, we employed Support Vector Machine Classification (SVM-C), achieving an initial accuracy rate of 79%. This was enhanced to 96.8% through the use of hierarchical SVM-C with PCA filters as our modeling approach. The ML models were trained using the concentrations of eight statistically significant elements (Li, V, Cr, Fe, Sc, Ga, Rb, Cs). By leveraging high-quality LA-ICP-MS data and ML techniques, accurate identification of the geographical origin of emerald becomes possible. These models are important for accurate provenance of emerald, and from a geochemical perspective, for understanding the formation environments of beryl-bearing pegmatites and shales.

Identifying sex from pharyngeal images using deep learning algorithm

The pharynx is one of the few areas in the body where blood vessels and immune tissues can readily be observed from outside the body non-invasively. Although prior studies have found that sex could be identified from retinal images using artificial intelligence, it remains unknown as to whether individuals’ sex could also be identified using pharyngeal images. Demographic information and pharyngeal images were collected from patients who visited 64 primary care clinics in Japan for influenza-like symptoms. We trained a deep learning-based classification model to predict reported sex, which incorporated a multiple instance convolutional neural network, on 20,319 images from 51 clinics. Validation was performed using 4869 images from the remaining 13 clinics not used for the training. The performance of the classification model was assessed using the area under the receiver operating characteristic curve. To interpret the model, we proposed a framework that combines a saliency map and organ segmentation map to quantitatively evaluate salient regions. The model achieved the area under the receiver operating characteristic curve of 0.883 (95% CI 0.866–0.900). In subgroup analyses, a substantial improvement in classification performance was observed for individuals aged 20 and older, indicating that sex-specific patterns between women and men may manifest as humans age (e.g., may manifest after puberty). The saliency map suggested the model primarily focused on the posterior pharyngeal wall and the uvula. Our study revealed the potential utility of pharyngeal images by accurately identifying individuals’ reported sex using deep learning algorithm.

The Influence of Parallel Computing on Building Deep Learning Model for the Classification of Bean Diseases

In recent years, the utilization of deep learning techniques for image classification has made significant strides in the field of agriculture. One of the key areas of interest in agriculture is the early detection and classification of diseases in crops, as this can have an insightful impact on crop revenue and quality. This research has investigated the influence of parallel computing on the performance of a deep learning-based classification model for diagnosing bean diseases. Specifically, we have explored the use of parallel computing frameworks to accelerate model training and inference, thereby enhancing the efficiency and effectiveness of disease classification. Our findings demonstrated the potential for parallel computing to accelerate model training. When training a bean disease classification model, we achieved an accuracy of 0.93 using parallel computing, compared to 0.83 with serial computing. Moreover, parallel computing significantly reduced training time, taking only 3 minutes compared to 51 minutes with serial computing.

Simultaneous Utilization of Mood Disorder Questionnaire and Bipolar Spectrum Diagnostic Scale for Machine Learning-Based Classification of Patients With Bipolar Disorders and Depressive Disorders.

Bipolar and depressive disorders are distinct disorders with clearly different clinical courses, however, distinguishing between them often presents clinical challenges. This study investigates the utility of self-report questionnaires, the Mood Disorder Questionnaire (MDQ) and Bipolar Spectrum Diagnostic Scale (BSDS), with machine learning-based multivariate analysis, to classify patients with bipolar and depressive disorders. A total of 189 patients with bipolar disorders and depressive disorders were included in the study, and all participants completed both the MDQ and BSDS questionnaires. Machine-learning classifiers, including support vector machine (SVM) and linear discriminant analysis (LDA), were exploited for multivariate analysis. Classification performance was assessed through cross-validation. Both MDQ and BSDS demonstrated significant differences in each item and total scores between the two groups. Machine learning-based multivariate analysis, including SVM, achieved excellent discrimination levels with area under the ROC curve (AUC) values exceeding 0.8 for each questionnaire individually. In particular, the combination of MDQ and BSDS further improved classification performance, yielding an AUC of 0.8762. This study suggests the application of machine learning to MDQ and BSDS can assist in distinguishing between bipolar and depressive disorders. The potential of combining high-dimensional psychiatric data with machine learning-based multivariate analysis as an effective approach to psychiatric disorders.

Wasserstein generative adversarial network with gradient penalty and convolutional neural network based motor imagery EEG classification

Objective.Due to the difficulty in acquiring motor imagery electroencephalography (MI-EEG) data and ensuring its quality, insufficient training data often leads to overfitting and inadequate generalization capabilities of deep learning-based classification networks. Therefore, we propose a novel data augmentation method and deep learning classification model to enhance the decoding performance of MI-EEG further.Approach.The raw EEG signals were transformed into the time-frequency maps as the input to the model by continuous wavelet transform. An improved Wasserstein generative adversarial network with gradient penalty data augmentation method was proposed, effectively expanding the dataset used for model training. Additionally, a concise and efficient deep learning model was designed to improve decoding performance further.Main results.It has been demonstrated through validation by multiple data evaluation methods that the proposed generative network can generate more realistic data. Experimental results on the BCI Competition IV 2a and 2b datasets and the actual collected dataset show that classification accuracies are 83.4%, 89.1% and 73.3%, and Kappa values are 0.779, 0.782 and 0.644, respectively. The results indicate that the proposed model outperforms state-of-the-art methods.Significance.Experimental results demonstrate that this method effectively enhances MI-EEG data, mitigates overfitting in classification networks, improves MI classification accuracy, and holds positive implications for MI tasks.

Embedded FPGA developments in 130 nm and 28 nm CMOS for machine learning in particle detector readout

Embedded field programmable gate array (eFPGA) technology allows the implementation of reconfigurable logic within the design of an application-specific integrated circuit (ASIC). This approach offers the low power and efficiency of an ASIC along with the ease of FPGA configuration, particularly beneficial for the use case of machine learning in the data pipeline of next-generation collider experiments. An open-source framework called “FABulous” was used to design eFPGAs using 130 nm and 28 nm CMOS technology nodes, which were subsequently fabricated and verified through testing. The capability of an eFPGA to act as a front-end readout chip was assessed using simulation of high energy particles passing through a silicon pixel sensor. A machine learning-based classifier, designed for reduction of sensor data at the source, was synthesized and configured onto the eFPGA. A successful proof-of-concept was demonstrated through reproduction of the expected algorithm result on the eFPGA with perfect accuracy. Further development of the eFPGA technology and its application to collider detector readout is discussed.

A survey on machine learning system for intraductal papillary mucinous neoplasms detection

IPMN cysts, a pre-malignant risk to the pancreas, have the potential to develop into pancreatic cancer. Accurately identifying and evaluating the risk level is crucial for planning an efficient treatment strategy. However, this task is immensely challenging due to the varied and irregular shapes, textures, and sizes of IPMN cysts, as well as those of the pancreas itself. In this study, we introduce a new computer-aided diagnostic approach for classifying IPMN risk levels based on multi-contrast MRI scans. The proposed analysis framework comprises an efficient volumetric self-adapting segmentation strategy for delineating the pancreas, followed by a newly developed deep learning-based classification scheme incorporating a radiomics-based predictive approach. To evaluate the proposed decision-fusion model, we use multi-centre datasets and multi-contrast MRI scans, aiming to achieve superior performance compared to the current state of the art in this field. The ablation studies illustrate the importance of both radiomics and deep learning modules in achieving a new state-of-the-art (SOTA) performance compared to international guidelines and published studies (81.9% vs 61.3% in accuracy). These key findings carry significant implications for clinical decision-making, potentially revolutionizing the way IPMN risk levels are classified. Through a series of rigorous experiments on multi-centre datasets (involving more MRI scans from five centers), we attained unprecedented performance levels with moderate accuracy. The code will be made available upon publication.

A medical image classification method based on self-regularized adversarial learning.

Deep learning (DL) techniques have been extensively applied in medical image classification. The unique characteristics of medical imaging data present challenges, including small labeled datasets, severely imbalanced class distribution, and significant variations in imaging quality. Recently, generative adversarial network (GAN)-based classification methods have gained attention for their ability to enhance classification accuracy by incorporating realistic GAN-generated images as data augmentation. However, the performance of these GAN-based methods often relies on high-quality generated images, while large amounts of training data are required to train GAN models to achieve optimalperformance. In this study, we propose an adversarial learning-based classification framework to achieve better classification performance. Innovatively, GAN models are employed as supplementary regularization terms to support classification, aiming to address the challenges describedabove. The proposed classification framework, GAN-DL, consists of a feature extraction network (F-Net), a classifier, and two adversarial networks, specifically a reconstruction network (R-Net) and a discriminator network (D-Net). The F-Net extracts features from input images, and the classifier uses these features for classification tasks. R-Net and D-Net have been designed following the GAN architecture. R-Net employs the extracted feature to reconstruct the original images, while D-Net is tasked with the discrimination between the reconstructed image and the original images. An iterative adversarial learning strategy is designed to guide model training by incorporating multiple network-specific loss functions. These loss functions, serving as supplementary regularization, are automatically derived during the reconstruction process and require no additional dataannotation. To verify the model's effectiveness, we performed experiments on two datasets, including a COVID-19 dataset with 13958 chest x-ray images and an oropharyngeal squamous cell carcinoma (OPSCC) dataset with 3255 positron emission tomography images. Thirteen classic DL-based classification methods were implemented on the same datasets for comparison. Performance metrics included precision, sensitivity, specificity, and -score. In addition, we conducted ablation studies to assess the effects of various factors on model performance, including the network depth of F-Net, training image size, training dataset size, and loss function design. Our method achieved superior performance than all comparative methods. On the COVID-19 dataset, our method achieved , , , and in terms of precision, sensitivity, specificity, and -score, respectively. It achieved across all these metrics on the OPSCC dataset. The study to investigate the effects of two adversarial networks highlights the crucial role of D-Net in improving model performance. Ablation studies further provide an in-depth understanding of ourmethodology. Our adversarial-based classification framework leverages GAN-based adversarial networks and an iterative adversarial learning strategy to harness supplementary regularization during training. This design significantly enhances classification accuracy and mitigates overfitting issues in medical image datasets. Moreover, its modular design not only demonstrates flexibility but also indicates its potential applicability to various clinical contexts and medical imaging applications.

Harmonic enhancement to optimize EOG based ocular activity decoding: A hybrid approach with harmonic source separation and EEMD

Intelligent robotic systems for patients with motor impairments have gained significant interest over the past few years. Various sensor types and human-machine interface (HMI) methods have been developed; however, most research in this area has focused on eye-blink-based binary control with minimal electrode placements. This approach restricts the complexity of HMI systems and does not consider the potential of multiple-activity decoding via static ocular activities. These activities pose a decoding challenge due to non-oscillatory noise components, such as muscle tremors or fatigue. To address this issue, a hybrid preprocessing methodology is proposed that combines harmonic source separation and ensemble empirical mode decomposition in the time-frequency domain to remove percussive and non-oscillatory components of static ocular movements. High-frequency components are included in the harmonic enhancement process. Next, a machine learning model with dual input of time-frequency images and a vectorized feature set of consecutive time windows is employed, leading to a 3.8% increase in performance as compared to without harmonic enhancement in leave-one-session-out cross-validation (LOSO). Additionally, a high correlation is found between the harmonic ratios of the static activities in the Hilbert-Huang frequency spectrum and LOSO performances. This finding highlights the potential of leveraging the harmonic characteristics of the activities as a discriminating factor in machine learning-based classification of EOG-based ocular activities, thus providing a new aspect of activity enrichment with minimal performance loss for future HMI systems.

Machine learning allows robust classification of visceral fat in women with obesity using common laboratory metrics

The excessive accumulation and malfunctioning of visceral adipose tissue (VAT) is a major determinant of increased risk of obesity-related comorbidities. Thus, risk stratification of people living with obesity according to their amount of VAT is of clinical interest. Currently, the most common VAT measurement methods include mathematical formulae based on anthropometric dimensions, often biased by human measurement errors, bio-impedance, and image techniques such as X-ray absorptiometry (DXA) analysis, which requires specialized equipment. However, previous studies showed the possibility of classifying people living with obesity according to their VAT through blood chemical concentrations by applying machine learning techniques. In addition, most of the efforts were spent on men living with obesity while little was done for women. Therefore, this study aims to compare the performance of the multilinear regression model (MLR) in estimating VAT and six different supervised machine learning classifiers, including logistic regression (LR), support vector machine and decision tree-based models, to categorize 149 women living with obesity. For clustering, the study population was categorized into classes 0, 1, and 2 according to their VAT and the accuracy of each MLR and classification model was evaluated using DXA-data (DXAdata), blood chemical concentrations (BLDdata), and both DXAdata and BLDdata together (ALLdata). Estimation error and R2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {R}^{2}$$\\end{document} were computed for MLR, while receiver operating characteristic (ROC) and precision-recall curves (PR) area under the curve (AUC) were used to assess the performance of every classification model. MLR models showed a poor ability to estimate VAT with mean absolute error ≥401.40\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\ge 401.40$$\\end{document} and R2≤0.62\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\hbox {R}^{2} \\le 0.62$$\\end{document} in all the datasets. The highest accuracy was found for LR with values of 0.57, 0.63, and 0.53 for ALLdata, DXAdata, and BLDdata, respectively. The ROC AUC showed a poor ability of both ALLdata and DXAdata to distinguish class 1 from classes 0 and 2 (AUC = 0.31, 0.71, and 0.85, respectively) as also confirmed by PR (AUC = 0.24, 0.57, and 0.73, respectively). However, improved performances were obtained when applying LR model to BLDdata (ROC AUC ≥\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\ge $$\\end{document} 0.61 and PR AUC ≥\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\ge $$\\end{document} 0.42), especially for class 1. These results seem to suggest that, while a direct and reliable estimation of VAT was not possible in our cohort, blood sample-derived information can robustly classify women living with obesity by machine learning-based classifiers, a fact that could benefit the clinical practice, especially in those health centres where medical imaging devices are not available. Nonetheless, these promising findings should be further validated over a larger population.

Robust detection of infectious disease, autoimmunity, and cancer from the paratope networks of adaptive immune receptors.

Liquid biopsies based on peripheral blood offer a minimally invasive alternative to solid tissue biopsies for the detection of diseases, primarily cancers. However, such tests currently consider only the serum component of blood, overlooking a potentially rich source of biomarkers: adaptive immune receptors (AIRs) expressed on circulating B and T cells. Machine learning-based classifiers trained on AIRs have been reported to accurately identify not only cancers but also autoimmune and infectious diseases as well. However, when using the conventional "clonotype cluster" representation of AIRs, individuals within a disease or healthy cohort exhibit vastly different features, limiting the generalizability of these classifiers. This study aimed to address the challenge of classifying specific diseases from circulating B or T cells by developing a novel representation of AIRs based on similarity networks constructed from their antigen-binding regions (paratopes). Features based on this novel representation, paratope cluster occupancies (PCOs), significantly improved disease classification performance for infectious disease, autoimmune disease, and cancer. Under identical methodological conditions, classifiers trained on PCOs achieved a mean AUC of 0.893 when applied to new individuals, outperforming clonotype cluster-based classifiers (AUC 0.714) and the best-performing published classifier (AUC 0.777). Surprisingly, for cancer patients, we observed that "healthy-biased" AIRs were predicted to target known cancer-associated antigens at dramatically higher rates than healthy AIRs as a whole (Z scores >75), suggesting an overlooked reservoir of cancer-targeting immune cells that could be identified by PCOs.

Fairness in Classifying and Grouping Health Equity Information.

This paper explores the balance between fairness and performance in machine learning classification, predicting the likelihood of a patient receiving anti-microbial treatment using structured data in community nursing wound care electronic health records. The data includes two important predictors (gender and language) of the social determinants of health, which we used to evaluate the fairness of the classifiers. At the same time, the impact of various groupings of language codes on classifiers' performance and fairness is analyzed. Most common statistical learning-based classifiers are evaluated. The findings indicate that while K-Nearest Neighbors offers the best fairness metrics among different grouping settings, the performance of all classifiers is generally consistent across different language code groupings. Also, grouping more variables tends to improve the fairness metrics over all classifiers while maintaining their performance.

Non-Invasive Quality Control of Organoid Cultures Using Mesofluidic CSTR Bioreactors and High-Content Imaging.

Human brain organoids produce anatomically relevant cellular structures and recapitulate key aspects of in vivo brain function, which holds great potential to model neurological diseases and screen therapeutics. However, the long growth time of 3D systems complicates the culturing of brain organoids and results in heterogeneity across samples hampering their applications. We developed an integrated platform to enable robust and long-term culturing of 3D brain organoids. We designed a mesofluidic bioreactor device based on a reaction-diffusion scaling theory, which achieves robust media exchange for sufficient nutrient delivery in long-term culture. We integrated this device with longitudinal tracking and machine learning-based classification tools to enable non-invasive quality control of live organoids. This integrated platform allows for sample pre-selection for downstream molecular analysis. Transcriptome analyses of organoids revealed that our mesofluidic bioreactor promoted organoid development while reducing cell death. Our platform thus offers a generalizable tool to establish reproducible culture standards for 3D cellular systems for a variety of applications beyond brain organoids.

Mediodorsal thalamus and ventral pallidum contribute to subcortical regulation of the default mode network

Humans and other animals readily transition from externally to internally focused attention, and these transitions are accompanied by activation of the default mode network (DMN). The DMN was considered a cortical network, yet recent evidence suggests subcortical structures are also involved. We investigated the role of ventral pallidum (VP) and mediodorsal thalamus (MD) in DMN regulation in tree shrew, a close relative of primates. Electrophysiology and deep learning-based classification of behavioral states revealed gamma oscillations in VP and MD coordinated with gamma in anterior cingulate (AC) cortex during DMN states. Cross-frequency coupling between gamma and delta oscillations was higher during DMN than other behaviors, underscoring the engagement of MD, VP and AC. Our findings highlight the importance of VP and MD in DMN regulation, extend homologies in DMN regulation among mammals, and underline the importance of thalamus and basal forebrain to the regulation of DMN.

A Deep Learning-based Classification Model for Arabic News Tweets Using Bidirectional Long Short-Term Memory Networks

This research develops a classification model for Arabic news tweets using Bidirectional Long Short-Term Memory networks (BiLSTM). Tweets about Arabic news were gathered between August 2016 and August 2020 and divided into five categories. Custom Python scripts, Twitter API and the GetOldTweets3 Python library were used to collect the data. BiLSTM was used to train and test the model. The results indicated an average accuracy, precision, recall, and f1-score of 0.88, 0.92, 0.88, and 0.89, respectively. The results could have practical implications for Arabic machine learning and NLP tasks in research and practice.

A proposed secure framework for protecting cloud-based educational systems from hacking

Educational institutions and users involved in the whole learning process frequently have concerns about the storage and processing of sensitive data and essential apps in the cloud. Security and privacy issues have emerged as a major challenge, limiting cloud computing’s implementation in educational environments. Several users have yet to meet this security challenge, which is linked to the system’s multi-tenancy nature and the outsourcing of resources and data. This study proposes a secure framework for protecting cloud-based educational systems from hacking using a unique encryption technique, as well as a deep learning-based classification for cloud attack detection. Initially, we preprocess the data and extract features using a gray-level covariance matrix (GLCM). Next, we propose a classification based on multiple convolutional neural networks (M−CNN) to detect attacks in the cloud environment. Finally, we propose a modified digital signature algorithm (MDSA) for data encryption and decryption. The proposed technique achieved high security rates, with an accuracy of 97.7%, sensitivity of 96%, specificity of 94.3%, precision of 99.6%, and recall of 97%. Comparative evaluations showed that the proposed mechanism outperformed other encryption techniques. This novel model enhances the security of cloud-based educational systems and promotes users’ confidence in such platforms.

Deep learning-based classification and application test of multiple crop leaf diseases using transfer learning and the attention mechanism

Deep learning-based classification and application test of multiple crop leaf diseases using transfer learning and the attention mechanism

Contributions of brain regions to machine learning-based classifications of attention deficit hyperactivity disorder (ADHD) utilizing EEG signals

Objective The study presented focuses on the creation of a machine learning (ML) model that uses electrophysiological (EEG) data to identify kids with attention deficit hyperactivity disorder (ADHD) from healthy controls. The EEG signals are acquired during cognitive tasks to distinguish children with ADHD from their counterparts. Methodology The EEG data recorded in cognitive exercises was filtered using low pass Bessel filter and notch filters to remove artifacts, by the data set owners. To identify unique EEG patterns, we used many well-known classifiers, including Naïve Bayes (NB), Random Forest, Decision Tree (DT), K-Nearest Neighbors (KNN), Support Vector Machine (SVM), AdaBoost and Linear Discriminant Analysis (LDA), to identify distinct EEG patterns. Input features comprised EEG data from nineteen channels, individually and in combination. Findings Study indicates that EEG-based categorization can differentiate between individuals with ADHD and healthy individuals with accuracy of 84%. The RF classifier achieved a maximum accuracy of 0.84 when particular region combinations were used. Evaluation of classification performance utilizing hemisphere-specific EEG data yielded promising outcomes, particularly in the right hemisphere channels. Novelty The study goes beyond traditional methodologies by investigating the effect of regional data on categorization results. The contributions of various brain regions to these classifications are being extensively researched. Understanding the role of different brain regions in ADHD can lead to better diagnosis and treatment options for individuals with ADHD. The study of categorization ability, utilizing EEG data specific to each hemisphere, particularly channels in the right hemisphere region, provides further granularity to the findings.

In vitro metabolic studies and machine learning analysis of mass spectrometry data: A dual strategy for differentiating alpha-pyrrolidinohexiophenone (α-PHP) and alpha-pyrrolidinoisohexanophenone (α-PiHP) in urine analysis

Synthetic cathinones are some of the most prevalent new psychoactive substances (NPSs) globally, with alpha-pyrrolidinoisohexanophenone (α-PiHP) being particularly noted for its widespread use in the United States, Europe, and Taiwan. However, the analysis of isomeric NPSs such as α-PiHP and alpha-pyrrolidinohexiophenone (α-PHP) is challenging owing to similarities in their retention times and mass spectra. This study proposes a dual strategy based on in vitro metabolic experiments and machine learning-based classification modelling for differentiating α-PHP and α-PiHP in urine samples: (1) in vitro metabolic experiments using pooled human liver microsomes and liquid chromatography tandem quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) were conducted to identify the key metabolites of α-PHP and α-PiHP from the high-resolution MS/MS spectra. After 5 h incubation, 71.4 % of α-PHP and 64.7 % of α-PiHP remained unmetabolised. Nine phase I metabolites were identified for each compound, including primary β-ketone reduction (M1) metabolites. Comparing the metabolites and retention times confirmed the efficacy of in vitro metabolic experiments for differentiating NPS isomers. Subsequently, analysis of seven real urine samples revealed the presence for various metabolites, including M1, that could be used as suitable detection markers at low concentrations. The aliphatic hydroxylation (M2) metabolite peak counts and metabolite retention times were used to determine α-PiHP use. (2) Classification models for the parent compounds and M1 metabolites were developed using principal component analysis for feature extraction and logistic regression for classification. The training and test sets were devised from the spectra of standard samples or supernatants from in vitro metabolism experiments with different incubation times. Both models had classification accuracies of 100 % and accurately identified α-PiHP and its M1 metabolite in seven real urine samples. The proposed methodology effectively distinguished between such isomers and confirmed their presence at low concentrations. Overall, this study introduces a novel concept that addresses the complexities in analysing isomeric NPSs and suggests a path towards enhancing the accuracy and reliability of NPS detection.

Deep Residual Learning-Based Classification with Identification of Incorrect Predictions and Quantification of Cellularity and Nuclear Morphological Features in Digital Pathological Images of Common Astrocytic Tumors.

Interobserver variations in the pathology of common astrocytic tumors impact diagnosis and subsequent treatment decisions. This study leveraged a residual neural network-50 (ResNet-50) in digital pathological images of diffuse astrocytoma, anaplastic astrocytoma, and glioblastoma to recognize characteristic pathological features and perform classification at the patch and case levels with identification of incorrect predictions. In addition, cellularity and nuclear morphological features, including axis ratio, circularity, entropy, area, irregularity, and perimeter, were quantified via a hybrid task cascade (HTC) framework and compared between different characteristic pathological features with importance weighting. A total of 95 cases, including 15 cases of diffuse astrocytoma, 11 cases of anaplastic astrocytoma, and 69 cases of glioblastoma, were collected in Taiwan Hualien Tzu Chi Hospital from January 2000 to December 2021. The results revealed that an optimized ResNet-50 model could recognize characteristic pathological features at the patch level and assist in diagnosis at the case level with accuracies of 0.916 and 0.846, respectively. Incorrect predictions were mainly due to indistinguishable morphologic overlap between anaplastic astrocytoma and glioblastoma tumor cell area, zones of scant vascular lumen with compact endothelial cells in the glioblastoma microvascular proliferation area mimicking the glioblastoma tumor cell area, and certain regions in diffuse astrocytoma with too low cellularity being misrecognized as the glioblastoma necrosis area. Significant differences were observed in cellularity and each nuclear morphological feature among different characteristic pathological features. Furthermore, using the extreme gradient boosting (XGBoost) algorithm, we found that entropy was the most important feature for classification, followed by cellularity, area, circularity, axis ratio, perimeter, and irregularity. Identifying incorrect predictions provided valuable feedback to machine learning design to further enhance accuracy and reduce errors in classification. Moreover, quantifying cellularity and nuclear morphological features with importance weighting provided the basis for developing an innovative scoring system to achieve objective classification and precision diagnosis among common astrocytic tumors.