Ensemble-based Machine Learning Research Articles

Development of a Predictive Model for Survival Over Time in Patients With Out-of-Hospital Cardiac Arrest Using Ensemble-Based Machine Learning

As of now, a model for predicting the survival of patients with out-of-hospital cardiac arrest has not been established. This study aimed to develop a model for identifying predictors of survival over time in patients with out-of-hospital cardiac arrest during their stay in the emergency department, using ensemble-based machine learning. A total of 26 013 patients from the Korean nationwide out-of-hospital cardiac arrest registry were enrolled between January 1 and December 31, 2019. Our model, comprising 38 variables, was developed using the Survival Quilts model to improve predictive performance. We found that changes in important variables of patients with out-of-hospital cardiac arrest were observed 10 minutes after arrival at the emergency department. The important score of the predictors showed that the influence of patient age decreased, moving from the highest rank to the fifth. In contrast, the significance of reperfusion attempts increased, moving from the fourth to the highest rank. Our research suggests that the ensemble-based machine learning model, particularly the Survival Quilts, offers a promising approach for predicting survival in patients with out-of-hospital cardiac arrest. The Survival Quilts model may potentially assist emergency department staff in making informed decisions quickly, reducing preventable deaths.

Countering DDoS threats: leveraging ensemble methods for detection and mitigation

Cloud computing is the modern concept of distributing numerous services through the Internet, such as web applications, databases, and programmers that operate on several servers. As Cloud computing technologies evolve, increasing susceptibility to attack may result from service outages during data storage and transmission. The most common sort of assault against Cloud settings is distributed denial-of-service (DDoS). Several approaches for detecting and mitigating these attacks have been offered, however they are ineffective. In this research, we propose a method for detecting and mitigating DDoS attacks in their early phases, considering top-layer advances at the application layer and the TCP handshake mechanism. This study employs a variety of ensemble-based machine learning approaches to classify incoming data as legitimate or malicious to respond to DDoS attacks at the application layer. Furthermore, the double TCP connection concept is used to prevent DDoS. Experiments show that the stacked voting system detects DDOS attacks with the best F-score of 99.9%.

An explainable machine learning model for prediction of high-risk nonalcoholic steatohepatitis

Early identification of high-risk metabolic dysfunction-associated steatohepatitis (MASH) can offer patients access to novel therapeutic options and potentially decrease the risk of progression to cirrhosis. This study aimed to develop an explainable machine learning model for high-risk MASH prediction and compare its performance with well-established biomarkers. Data were derived from the National Health and Nutrition Examination Surveys (NHANES) 2017-March 2020, which included a total of 5281 adults with valid elastography measurements. We used a FAST score ≥ 0.35, calculated using liver stiffness measurement and controlled attenuation parameter values and aspartate aminotransferase levels, to identify individuals with high-risk MASH. We developed an ensemble-based machine learning XGBoost model to detect high-risk MASH and explored the model’s interpretability using an explainable artificial intelligence SHAP method. The prevalence of high-risk MASH was 6.9%. Our XGBoost model achieved a high level of sensitivity (0.82), specificity (0.91), accuracy (0.90), and AUC (0.95) for identifying high-risk MASH. Our model demonstrated a superior ability to predict high-risk MASH vs. FIB-4, APRI, BARD, and MASLD fibrosis scores (AUC of 0.95 vs. 0.50, 0.50, 0.49 and 0.50, respectively). To explain the high performance of our model, we found that the top 5 predictors of high-risk MASH were ALT, GGT, platelet count, waist circumference, and age. We used an explainable ML approach to develop a clinically applicable model that outperforms commonly used clinical risk indices and could increase the identification of high-risk MASH patients in resource-limited settings.

Developing an ensembled machine learning model for predicting water quality index in Johor River Basin

Currently, the Water Quality Index (WQI) model becomes a widely used tool to evaluate surface water quality for agriculture, domestic and industrial. WQI is one of the simplest mathematical tools that can assist water operator in decision making in assessing the quality of water and it is widely used in the last years. The water quality analysis and prediction is conducted for Johor River Basin incorporating the upstream to downstream water quality monitoring station data of the river. In this research, the numerical method is first used to calculate the WQI and identify the classes for validating the prediction results. Then, two ensemble and optimized machine learning models including gradient boosting regression (GB) and random forest regression (RF) are employed to predict the WQI. The study area selected is the Johor River basin located in Johor, Peninsular Malaysia. The initial phase of this study involves analyzing all available data on parameters concerning the river, aiming to gain a comprehensive understanding of the overall water quality within the river basin. Through temporal analysis, it was determined that Mg, E. coli, SS, and DS emerge as critical factors affecting water quality in this river basin. Then, in terms of WQI calculation, feature importance method is used to identify the most important parameters that can be used to predict the WQI. Finally, an ensemble-based machine learning model is designed to predict the WQI using three parameters. Two ensemble ML approaches are chosen to predict the WQI in the study area and achieved a R2 of 0.86 for RF-based regression and 0.85 for GB-based ML technique. Finally, this research proves that using only the biochemical oxygen demand (BOD), the chemical oxygen demand (COD) and percentage of dissolved oxygen (DO%), the WQI can be predicted accurately and almost 96 times out of 100 sample, the water class can be predicted using GB ensembled ML algorithm. Moving forward, stakeholders may opt to integrate this research into their analyses, potentially yielding economic reliability and time savings.

Ensemble-Based Machine Learning Approach for Detecting Arabic Fake News on Twitter

Ensemble-Based Machine Learning Approach for Detecting Arabic Fake News on Twitter

Ensembling Supervised and Unsupervised Machine Learning Algorithms for Detecting Distributed Denial of Service Attacks

The distributed denial of service (DDoS) attack is one of the most pernicious threats in cyberspace. Catastrophic failures over the past two decades have resulted in catastrophic and costly disruption of services across all sectors and critical infrastructure. Machine-learning-based approaches have shown promise in developing intrusion detection systems (IDSs) for detecting cyber-attacks, such as DDoS. Herein, we present a solution to detect DDoS attacks through an ensemble-based machine learning approach that combines supervised and unsupervised machine learning ensemble frameworks. This combination produces higher performance in detecting known DDoS attacks using supervised ensemble and for zero-day DDoS attacks using an unsupervised ensemble. The unsupervised ensemble, which employs novelty and outlier detection, is effective in identifying prior unseen attacks. The ensemble framework is tested using three well-known benchmark datasets, NSL-KDD, UNSW-NB15, and CICIDS2017. The results show that ensemble classifiers significantly outperform single-classifier-based approaches. Our model with combined supervised and unsupervised ensemble models correctly detects up to 99.1% of the DDoS attacks, with a negligible rate of false alarms.

A supervised learning method for classifying methylation disorders

BackgroundDNA methylation is one of the most stable and well-characterized epigenetic alterations in humans. Accordingly, it has already found clinical utility as a molecular biomarker in a variety of disease contexts. Existing methods for clinical diagnosis of methylation-related disorders focus on outlier detection in a small number of CpG sites using standardized cutoffs which differentiate healthy from abnormal methylation levels. The standardized cutoff values used in these methods do not take into account methylation patterns which are known to differ between the sexes and with age.ResultsHere we profile genome-wide DNA methylation from blood samples drawn from within a cohort composed of healthy controls of different age and sex alongside patients with Prader–Willi syndrome (PWS), Beckwith–Wiedemann syndrome, Fragile-X syndrome, Angelman syndrome, and Silver–Russell syndrome. We propose a Generalized Additive Model to perform age and sex adjusted outlier analysis of around 700,000 CpG sites throughout the human genome. Utilizing z-scores among the cohort for each site, we deployed an ensemble based machine learning pipeline and achieved a combined prediction accuracy of 0.96 (Binomial 95% Confidence Interval 0.868-\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$-$$\\end{document}0.995).ConclusionWe demonstrate a method for age and sex adjusted outlier detection of differentially methylated loci based on a large cohort of healthy individuals. We present a custom machine learning pipeline utilizing this outlier analysis to classify samples for potential methylation associated congenital disorders. These methods are able to achieve high accuracy when used with machine learning methods to classify abnormal methylation patterns.

Exploitation of the ensemble-based machine learning strategies to elevate the precision of CORDEX regional simulations in precipitation projection

Exploitation of the ensemble-based machine learning strategies to elevate the precision of CORDEX regional simulations in precipitation projection

Advances in Image Processing Methods for Breast Cancer Diagnosis and Classification Using A Hybrid Machine Learning – A Systematic Review

Breast Cancer (BC) is the second leading cause of death among many women worldwide. Detecting and treating BC can be challenging for radiologists. Basic care plays a crucial role in preventing diseases and reducing mortality. This study aims to improve treatment options and increase survival rates through early identification. Deep Learning (DL) and Machine Learning (ML) methods are powerful tools in identifying BC, offering enhanced precision and effectiveness. However, current techniques face scalability and performance limitations, prompting further investigation. This work introduces an Integrated Image Processing method for BC Diagnosis and Classification (IIP-BCDC). The approach combines DL using the AlexNet model for extracting Deep Features (DF) and ensemble-based ML algorithms for classification. AlexNet is implemented with five Convolutional Levels (ConvL) and three Completely Connected Levels (CCL) to preserve multidimensional DF while ensuring optimal performance. The unique DF extracted from the AlexNet DL models are consolidated into a single feature set, used as input for a Support Vector Machine with a Radial Basis Function (SVM-RBF) for a two-level categorization task. Comprehensive tests were conducted using a publicly accessible database of Invasive Ductal Carcinoma (IDC) images from breast biopsy. The results from thorough studies provide compelling evidence of the resilience and outstanding performance of the proposed hybrid approach. The proposed AlexNet model surpassed contemporary models with a higher accuracy rate of 98.7%, precision rate of 98.6%, recall rate of 99%, and an F1-score of 98.65%.

Stacking Ensemble-Based Machine Learning Model for Predicting Deterioration Components of Steel W-Section Beams

The collapse evaluation of the structural systems under seismic loading necessitates identifying and quantifying deterioration components (DCs). In the case of steel w-section beams (SWSB), three distinct types of DCs have been derived. These deterioration components for steel beams comprise the following: pre-capping plastic rotation (θp), post-capping plastic rotation (θpc), and cumulative rotation capacity (Λ). The primary objective of this research is to employ a machine learning (ML) model for accurate determination of these deterioration components. The stacking model is a powerful combination of meta-learners, which is used for better learning and performance of base learners. The base learners consist of AdaBoost, Random Forest (RF), and XGBoost. Among various machine learning algorithms, the stacking model exhibited superior functioning. The evaluation metrics of the stacking model were as follows: R2 = 0.9 and RMSE = 0.003 for θp, R2 = 0.97 and RMSE = 0.012 for θpc, and R2 = 0.98 and RMSE = 0.09 for Λ. The significance of input variables, specifically the web-depth-over-web-thickness ratio (h/tw) and the flange width-to-thickness ratio (bf/2tf), in determining the deterioration components was assessed using the Shapley Additive Explanations model. These parameters emerged as the most crucial factors in the evaluation.

Enhancing breast cancer detection from histopathology images: A novel ensemble approach with deep learning-based feature extraction

Effective detection and diagnostic procedures are necessary to enhance patient results for the common and life-threatening illness of breast cancer. Current approaches have limits in scalability and efficiency, highlighting the need for more study. This work introduces a hybrid Breast Cancer (BC) detecting approach that merges Deep Learning (DL) with pre-trained modeling of Histopathology Images (HPI) and an ensemble-based Machine Learning (ML) approach. DL integration allows learning and identifying hidden trends in intricate BC pictures, while ML techniques provide interpretability and generalization skills. Contrast Limited Adaptive Histogram Equalization (CLAHE) was used on HPI as a pre-processing technique to improve picture quality. The ResNet50V2 model was used for deep feature extraction. The Ensemble Learning (EL) model combines predictions from four basic ML approaches using soft voting. The research attained a superior accuracy, precision, recall, and F1 score compared to the most advanced models. This study provides substantial advancements in breast cancer diagnosis, thorough performance evaluation, and reliable assessment. Furthermore, it helps medical personnel make well-informed choices, enhance patient care, and improve results for BC sufferers.

ABDpred: Prediction of active antimicrobial compounds using supervised machine learning techniques.

Discovery of new antibiotics is the need of the hour to treat infectious diseases. An ever-increasing repertoire of multidrug-resistant pathogens poses an imminent threat to human lives across the globe. However, the low success rate of the existing approaches and technologies for antibiotic discovery remains a major bottleneck. In silico methods like machine learning (ML) deem more promising to meet the above challenges compared with the conventional experimental approaches. The goal of this study was to create ML models that may be used to successfully predict new antimicrobial compounds. In this article, we employed eight different ML algorithms namely, extreme gradient boosting, random forest, gradient boosting classifier, deep neural network, support vector machine, multilayer perceptron, decision tree, and logistic regression. These models were trained using a dataset comprising 312 antibiotic drugs and a negative set of 936 non-antibiotic drugs in a five-fold cross validation approach. The top four ML classifiers (extreme gradient boosting, random forest, gradient boosting classifier and deep neural network) were able to achieve an accuracy of 80 per cent and above during the evaluation of testing and blind datasets. We aggregated the top performing four models through a soft-voting technique to develop an ensemble-based ML method and incorporated it into a freely accessible online prediction server named ABDpred ( http://clinicalmedicinessd.com.in/abdpred/ ).

Exploring the influence of online word-of-mouth on hotel booking prices: insights from regression and ensemble-based machine learning methods

<abstract> <p>Previous studies have extensively investigated the effects of online word-of-mouth (eWOM) factors such as volume and valence on product sales. However, studies of the effect of eWOM factors on product prices are lacking. It is necessary to examine how various eWOM factors can either explain or affect product prices. The objective of this study is to suggest explanatory and predictive analytics using a regression analysis and ensemble-based machine learning methods for eWOM factors and hotels booking prices. This study utilizes publicly available data from a hotel booking site to build a sample of eWOM factors. The final study sample was comprised of 927 hotels. The important eWOM factors found to affect hotel prices are the review depth and the review rating, which are moderated by a number of reviews to affect prices. The effect of the number of positive words is moderated by the review helpfulness to affect the price. The review depth and rating, along with the number of reviews, should be considered in the design of hotel services, as these provide the rationale for adjusting the prices of various aspects of hotel services. Furthermore, the comparison results when applying various ensemble-based machine learning methods to predict prices using eWOM factors based on a 46-fold cross-validation partition method indicated that ensemble methods (bagging and boosting) based on decision trees outperformed ensemble methods based on k-nearest neighbor methods and neural networks. This shows that bagging and boosting methods are effective ways to improve the prediction performance outcomes when using decision trees. The explanatory and predictive analytics using eWOM factors for hotel booking prices offers a better understanding in terms of how the accommodation prices of hotel services can be explained and predicted by eWOM factors.</p> </abstract>

Nested genetic algorithm-based classifier selection and placement in multi-level ensemble framework for effective disease diagnosis

Effective disease diagnosis is a critical unmet need on a global scale. The intricacies of the numerous disease mechanisms and underlying symptoms make developing a model for early diagnosis and effective treatment extremely difficult. Machine learning (ML) can help to solve some of these issues. Recently, various ensemble-based ML models have benefited clinicians in early diagnosis. However, one of the most difficult challenges in multi-level ensemble approaches is the classifier selection and their placement in the ensemble framework as it improves the overall performance. Let m classifiers have to select from n classifiers there are ( n m ) ways. Again, these ( n m ) possibilities can be arranged in m ! ways. Finding the best m classifiers and their positions from total ( n m ) m ! ways is a challenging and hard problem. To address this challenge, a dynamic three-level ensemble framework is proposed. A nested Genetic Algorithm (GA) and ensemble-based fitness function are employed to optimize the classifier selection and their placement in a three-level ensemble framework. Our approach used eleven classifiers and chose seven classifiers by maximizing the fitness function. The proposed model experiments on 12 disease datasets. The proposed model outperformed in terms of accuracy, F1, and G-measure on the Chronic Kidney Disease (CKD) dataset is 0.987, 0.988, and 0.989, respectively. In terms of AUC on the Heart disease dataset (HDD) is 0.998 and in terms of recall on the Hypothyroid disease dataset (HyDD) is 0.988. In addition, the proposed model superiority is statically evaluated by Wilcoxon-Signed-Rank (WSR) test compared with other ensemble models, such as random forest (RF), bagging classifier (BC), XGBoost (XGB), and gradient boost classifier (GBC) with probability value p < 0.05 results shows all the traditional ensemble model differs with proposed model and also effective size evaluated with using the matched-pairs rank biserial correlation coefficient wc and statistical results shows effective size is large with RF and BC and effective size is medium with XGB and GBC. Proposed model has outperformed comparing with State-Of-The-Art (SOTA) ensemble and non-ensemble models. Further, the proposed model outperformed in terms of the ROC curve in the majority of the disease datasets. The results suggest the usage of the proposed model for disease diagnosis applications.

An ensemble-based machine learning solution for imbalanced multiclass dataset during lithology log generation

The lithology log, an integral component of the master log, graphically portrays the encountered lithological sequence during drilling operations. In addition to offering real-time cross-sectional insights, lithology logs greatly aid in correlating and evaluating multiple sections efficiently. This paper introduces a novel workflow reliant on an enhanced weighted average ensemble approach for producing high-resolution lithology logs. The research contends with a challenging multiclass imbalanced lithofacies distribution emerging from substantial heterogeneities within subsurface geological structures. Typically, methods to handle imbalanced data, e.g., cost-sensitive learning (CSL), are tailored for issues encountered in binary classification. Error correcting output code (ECOC) originates from decomposition strategies, effectively breaking down multiclass problems into numerous binary subproblems. The database comprises conventional well logs and lithology logs obtained from five proximate wells within a Middle Eastern oilfield. Utilizing well-known machine learning (ML) algorithms, such as support vector machine (SVM), random forest (RF), decision tree (DT), logistic regression (LR), and extreme gradient boosting (XGBoost), as baseline classifiers, this study aims to enhance the accurate prediction of underground lithofacies. Upon recognizing a blind well, the data from the remaining four wells are utilized to train the ML algorithms. After integrating ECOC and CSL techniques with the baseline classifiers, they undergo evaluation. In the initial assessment, both RF and SVM demonstrated superior performance, prompting the development of an enhanced weighted average ensemble based on them. The comprehensive numerical and visual analysis corroborates the outstanding performance of the developed ensemble. The average Kappa statistic of 84.50%, signifying almost-perfect agreement, and mean F-measures of 91.04% emphasize the robustness of the designed ensemble-based workflow during the evaluation of blind well data.

A novel hybrid feature selection and ensemble-based machine learning approach for botnet detection

In the age of sophisticated cyber threats, botnet detection remains a crucial yet complex security challenge. Existing detection systems are continually outmaneuvered by the relentless advancement of botnet strategies, necessitating a more dynamic and proactive approach. Our research introduces a ground-breaking solution to the persistent botnet problem through a strategic amalgamation of Hybrid Feature Selection methods—Categorical Analysis, Mutual Information, and Principal Component Analysis—and a robust ensemble of machine learning techniques. We uniquely combine these feature selection tools to refine the input space, enhancing the detection capabilities of the ensemble learners. Extra Trees, as the ensemble technique of choice, exhibits exemplary performance, culminating in a near-perfect 99.99% accuracy rate in botnet classification across varied datasets. Our model not only surpasses previous benchmarks but also demonstrates exceptional adaptability to new botnet phenomena, ensuring persistent accuracy in a landscape of evolving threats. Detailed comparative analyses manifest our model's superiority, consistently achieving over 99% True Positive Rates and an unprecedented False Positive Rate close to 0.00%, thereby setting a new precedent for reliability in botnet detection. This research signifies a transformative step in cybersecurity, offering unprecedented precision and resilience against botnet infiltrations, and providing an indispensable blueprint for the development of next-generation security frameworks.

ANN based-model for estimating the boron permeability coefficient as boric acid in SWRO desalination plants using ensemble-based machine learning

This study examines the relationship between input conditions and the prediction of boron rejection in full-scale seawater reverse osmosis (SWRO) desalination plants using ensemble-based machine learning. While reverse osmosis is the dominant desalination technology, limited research has focused on analyzing plant performance under actual operating conditions. To address this gap, we developed and implemented machine learning algorithms to forecast boron permeability coefficient values, which are indicative of boron rejection concentrations in the permeate. Our analysis utilizes data from a SWRO desalination plant in southeast Spain, examining various input variables and their influence on the prediction of these parameters. The results demonstrate that our ensemble-based machine learning approach can predict boron permeability coefficient values with a reasonable margin of error of 1 mgL−1, as evidenced by mean average error (MAE) and mean absolute percentage error (MAPE) values of 7.93·10–8 and 11.8 %, respectively. In conclusion, an innovative application of artificial intelligence algorithms in the field of water purification under real operational conditions has been introduced, thus introducing valuable insights into the use of machine learning algorithms for forecasting boron rejection concentrations in full-scale SWRO desalination plants. The findings lay the foundation for future researches exploring automated and deep-learning methods in water purification.

Urban building energy performance prediction and retrofit analysis using data-driven machine learning approach

Stakeholders such as urban planners and energy policymakers use building energy performance modeling and analysis to develop strategic sustainable energy plans with the aim of reducing energy consumption and emissions from the built environment. However, inconsistent energy data and the lack of scalable building models create a gap between building energy modeling and traditional planning practices. An alternative approach is to conduct a large-scale energy usage survey, which is time-consuming. Similarly, existing studies rely on traditional machine learning or statistical approaches for calculating large-scale energy performance. This paper proposes a solution that employs a data-driven machine learning approach to predict the energy performance of urban residential buildings, using both ensemble-based machine learning and end-use demand segregation methods. The proposed methodology consists of five steps: data collection, archetype development, physics-based parametric modeling, machine learning modeling, and urban building energy performance analysis. The devised methodology is tested on the Irish residential building stock and generates a synthetic building dataset of one million buildings through the parametric modeling of 19 identified vital variables for four residential building archetypes. As a part of the machine learning modeling process, the study implemented an end-use demand segregation method, including heating, lighting, equipment, photovoltaic, and hot water, to predict the energy performance of buildings at an urban scale. Furthermore, the model's performance is enhanced by employing an ensemble-based machine learning approach, achieving 91% accuracy compared to the traditional approach's 76%. Accurate prediction of building energy performance enables stakeholders, including energy policymakers and urban planners, to make informed decisions when planning large-scale retrofit measures.

Ensemble-Based Machine Learning Approach for Real-Time Person Counting in an Instant Attendance System

Real-time attendance systems have become indispensable in various domains, including educational institutions and workplaces, as they automate attendance tracking and improve efficiency. This paper introduces a robust real-time attendance system that combines OpenCV and the You Only Look Once (YOLO) model. By integrating computer vision and deep learning techniques, the system achieves accurate and rapid face detection and recognition. Our proposed system utilizes OpenCV, a powerful computer vision library, to capture video streams from cameras. The YOLO model, a cutting-edge real-time object detection algorithm, is employed to identify and localize faces within the video frames. Thanks to YOLO's efficiency, the system ensures real-time processing, enabling seamless attendance recording. To enhance accuracy, the system employs a two-step approach consisting of face detection and face recognition. During the face detection phase, the YOLO model detects bounding boxes around faces. Subsequently, the system matches these detected faces against a pre-existing database of enrolled individuals using face recognition techniques. To improve performance, transfer learning techniques are applied to fine-tune the YOLO model on a diverse dataset containingvarious face images. This adaptation process ensures high precision and recall rates, even in challenging conditions such as varying lighting and occlusion. Experimental results demonstrate the effectiveness of the proposed real-time attendance system, achieving a high accuracy rate suitable for practical applications. Its real-time performance allows for seamless integration into existing attendance management workflows, resulting in time savings and improved administrative processes. The core intention of this paperwork is to develop a GUI page using Python programming, which will display the number of students who are present and number of students who are absent along with the number of students when section details are entered manually. In addition to this, pictures of the students who are present are displayed on the framework. It is called the real-time face detection which is very beneficial for managingacademic activity.

Exploring the potential of machine learning to design antidiabetic molecules: a comprehensive study with experimental validation

Recent advances in hardware and software algorithms have led to the rise of data-driven approaches for designing therapeutic modalities. One of the major causes of human mortality is diabetes. Thus, there is a tremendous opportunity for research into effective antidiabetic designs. Therefore, in this study, we used machine learning-based small molecule design. We used various chemoinformatic and binary fingerprint techniques on small molecules to construct multiple models for alpha-amylase inhibitors. Among these models, the top models were used for ensemble-based machine learning predictions on libraries of organic molecules supplemented with synthetic scaffolds that could be used as antidiabetic agents. Further, involved identifying 10 promising molecules from computational studies and determining their inhibitory effects on alpha-amylase. These molecules were synthesised and thoroughly analysed to assess their biological inhibitory properties. Then, thermodynamic simulations were conducted to determine the stability and affinity of experimentally active molecules. The research results showcased the top 10 ML models recorded impressive statistics with an average model score of 0.8216, Pearson-r value of 0.827 and external validation yielding a Q 2 value of 0.835, proving their reliability and accuracy. Ten derivatives of benzothiophene dioxolane was prime research focus due to computational predictions. The biological inhibitory assay of synthesised molecules showed that small molecules with ID ALC5 and ALC6 exhibited inhibitory efficiencies (IC50) of 2.1 ± 0.14 µM and 5.71 ± 0.02 µM against alpha-amylase enzyme, whereas other molecules showed moderate inhibition. In conclusion, the positive results of the experiment indicate that researchers should explore machine learning-driven design. Communicated by Ramaswamy H. Sarma