Performance analysis of machine learning algorithms: Single Model VS Ensemble Model

ObjectivesTo develop and identify machine learning (ML) models using pretreatment 2-deoxy-2-[18F]fluoro-D-glucose ([18F]-FDG)-positron emission tomography (PET)-based radiomic features to differentiate benign from malignant parotid gland diseases (PGDs).Materials and methodsThis retrospective study included 62 patients with 63 PGDs who underwent pretreatment [18F]-FDG-PET/computed tomography (CT). The lesions were assigned to the training (n = 44) and testing (n = 19) cohorts. In total, 49 [18F]-FDG-PET-based radiomic features were utilized to differentiate benign from malignant PGDs using five different conventional ML algorithmic models (random forest, neural network, k-nearest neighbors, logistic regression, and support vector machine) and the deep learning (DL)-based ensemble ML model. In the training cohort, each conventional ML model was constructed using the five most important features selected by the recursive feature elimination method with the tenfold cross-validation and synthetic minority oversampling technique. The DL-based ensemble ML model was constructed using the five most important features of the bagging and multilayer stacking methods. The area under the receiver operating characteristic curves (AUCs) and accuracies were used to compare predictive performances.ResultsIn total, 24 benign and 39 malignant PGDs were identified. Metabolic tumor volume and four GLSZM features (GLSZM_ZSE, GLSZM_SZE, GLSZM_GLNU, and GLSZM_ZSNU) were the five most important radiomic features. All five features except GLSZM_SZE were significantly higher in malignant PGDs than in benign ones (each p < 0.05). The DL-based ensemble ML model had the best performing classifier in the training and testing cohorts (AUC = 1.000, accuracy = 1.000 vs AUC = 0.976, accuracy = 0.947).ConclusionsThe DL-based ensemble ML model using [18F]-FDG-PET-based radiomic features can be useful for differentiating benign from malignant PGDs.Second abstractThe DL-based ensemble ML model using [18F]-FDG-PET-based radiomic features can overcome the previously reported limitation of [18F]-FDG-PET/CT scan for differentiating benign from malignant PGDs. The DL-based ensemble ML approach using [18F]-FDG-PET-based radiomic features can provide useful information for managing PGD.

P125. Development of a novel ensemble machine learning algorithm for prediction of complications and readmission after anterior cervical spinal fusion

Harmful Algal Blooms (HABs), driven by environmental pollution, pose significant threats to water quality, public health, and aquatic ecosystems. This study aims to enhance the prediction of HABs in Lake Erie, part of the Great Lakes system, by utilizing ensemble machine learning (ML) models coupled with explainable artificial intelligence (XAI) for interpretability. Using water quality data from 2013 to 2020, various physical, chemical, and biological parameters were analyzed to predict chlorophyll-a (Chl-a) concentrations, a proxy for algal blooms. The study employed multiple ensemble ML models, including Random Forest (RF), Deep Forest (DF), Gradient Boosting (GB), and XGBoost, and compared their performance against individual models such as Support Vector Machine (SVM), Decision Tree (DT), and Multi-Layer Perceptron (MLP). The findings reveal that ensemble models, particularly XGBoost and Deep Forest (DF), achieve superior predictive accuracy with R² values of 0.8517 and 0.8544, respectively. The application of SHapley Additive exPlanations (SHAP) provided insights into the relative importance of input features, identifying Particulate Organic Nitrogen (PON), Particulate Organic Carbon (POC), and Total Phosphorus (TP) as critical factors influencing Chl-a concentrations. This research demonstrates the effectiveness of integrating ensemble ML models with XAI to improve HAB prediction accuracy and interpretability. The results support the development of proactive water quality management strategies and highlight the potential of advanced ML techniques in environmental monitoring.

While the rapid development of vaccines during the COVID-19 pandemic helped save billions of lives, a significant percentage of the population reported adverse reactions after vaccination. Post-vaccination surveys were conducted to understand the possible side effects. Analyzing and understanding the side effects enables the relevant stakeholders to gain more understanding of the vaccine and allows the individual to make informed decisions about whether to receive the vaccine. This work aims to identify a robust approach that can be used to predict the possibility of potential adverse symptoms. A dataset comprising 840 participants with 15 Post-Vaccination Symptoms was considered for the study. Synthetic Minority Oversampling TEchnique (SMOTE) was used to handle the class imbalance of the dataset. A combination of SMOTE and ensemble machine learning models was used to predict the adverse reactions to COVID-19 vaccines. The ensemble Machine Learning (ML) models that are considered for this study are Random Forest, Extreme Gradient Boosting Machine (XGBoost), Light Gradient Boosting Machine, and AdaBoost. The metrics accuracy, precision, recall and Receiver Operating Characteristic-Area Under the Curve (ROC-AUC) were used to measure the performance of the models. The dataset was pre-processed to handle missing values and one-hot encoding was applied to convert categorical variables into the numerical format. Insights into the data distribution and relationships between variables were gained through exploratory data and correlation analysis, respectively. Class imbalance in the target variables was addressed using SMOTE, resulting in a significantly improved F1-score and ROC-AUC score. Among the ensemble ML models, XGBoost delivered the best performance metrics. A combined performance score was calculated by averaging the F1-score and accuracy to identify the best model. XGBoost obtained the highest performance score among the ensemble ML models, and its performance is further enhanced by performing the threshold adjustment using the maximum F1- score strategy. The findings suggest that the combination of SMOTE and ensemble learning models with threshold adjustment provides a more efficient prediction of adverse effects after COVID-19 vaccination, aiding in healthcare decision-making.

An ECG signal is a bioelectrical signal which records the electrical activity of the heart. ECG signals are used as the parameter for detecting various heart diseases. Cardiac arrhythmia can be detected using ECG signals. Arrhythmia is a condition in which the rhythm of the heart is irregular, too slow or too fast. The data for this work is obtained from the University of California, Irvine machine learning repository. The data obtained from the repository is preprocessed. Feature selection is made, and machine learning models are applied to the preprocessed data. Finally, data is classified into two classes, namely normal and arrhythmia. Feature selections were made to optimize the performance of machine learning algorithms. Features with more number of missing values and which showed no variation for all the instances have been deleted. Accuracy achieved using ensemble of machine learning algorithms is 85%. The objective of this research is to design a robust machine learning algorithm to predict cardiac arrhythmia. The prediction of cardiac arrhythmia is performed using ensemble of machine learning algorithms. This is to boost the accuracy achieved by individual machine learning algorithms. The technique of combining two or more machine learning models to improve the accuracy of the results is called ensemble prediction. More accurate results can be achieved using ensemble methods than the results achieved using single machine learning model.

The sea surface temperature (SST) is an environmental indicator closely related to climate, weather, and atmospheric events worldwide. Its forecasting is essential for supporting the decision of governments and environmental organizations. Literature has shown that single machine learning (ML) models are generally more accurate than traditional statistical models for SST time series modeling. However, the parameters tuning of these ML models is a challenging task, mainly when complex phenomena, such as SST forecasting, are addressed. Issues related to misspecification, overfitting, or underfitting of the ML models can lead to underperforming forecasts. This work proposes using hybrid systems (HS) that combine (ML) models using residual forecasting as an alternative to enhance the performance of SST forecasting. In this context, two types of combinations are evaluated using two ML models: support vector regression (SVR) and long short-term memory (LSTM). The experimental evaluation was performed on three datasets from different regions of the Atlantic Ocean using three well-known measures: mean square error (MSE), mean absolute percentage error (MAPE), and mean absolute error (MAE). The best HS based on SVR improved the MSE value for each analyzed series by 82.26%, 98.93%, and 65.03% compared to its respective single model. The HS employing the LSTM improved 92.15%, 98.69%, and 32.41% concerning the single LSTM model. Compared to literature approaches, at least one version of HS attained higher accuracy than statistical and ML models in all study cases. In particular, the nonlinear combination of the ML models obtained the best performance among the proposed HS versions.

Since cyberbullying impacts both individual victims and entire society, research on abusive language and its detection has attracted attention in recent years. Because social media sites like Facebook, Instagram, Twitter, and others are so widely accessible, hate speech, bullying, sexism, racism, aggressive material, harassment, poisonous comments, and other types of abuse have all substantially increased. Due to the critical requirement to detect, regulate, and limit the spread of harmful content on social networking sites, we conducted this study to automate the detection of offensive language or cyberbullying. We created a new Arabic balanced data set to be used in the offensive detection process because having a balanced data set for a model would result in improved accuracy models. Recently, the performance of single classifiers has been improved using ensemble machine learning. The purpose of this study is to examine the effectiveness of several single and ensemble machine learning algorithms in identifying Arabic text that contains foul language and cyberbullying. Applying them to three Arabic datasets, we have selected three machine learning classifiers and three ensemble models for this aim. Two of them are offensive datasets that are readily accessible in the public, while the third one was created. The results showed that the single learner machine learning strategy is inferior to the ensemble machine learning methodology. Voting performs is the best performing trained ensemble machine learning classifier, outperforming the best single learner classifier (65.1%, 76.2%, and 98%) for the same datasets with accuracy scores of (71.1%, 76.7%, and 98.5%) for each of the three datasets used. Finally, we improve the voting technique’s performance through hyperparameter tuning on the Arabic cyberbullying data set.

The identification of an effective inhibitor is an important starting step in drug development. Unfortunately, many issues such as the characterization of protein binding sites, the screening library, materials for assays, etc., make drug screening a difficult proposition. As the size of screening libraries increases, more resources will be inefficiently consumed. Thus, new strategies are needed to preprocess and focus a screening library towards a targeted protein. Herein, we report an ensemble machine learning (ML) model to generate a CDK8-focused screening library. The ensemble model consists of six different algorithms optimized for CDK8 inhibitor classification. The models were trained using a CDK8-specific fragment library along with molecules containing CDK8 activity. The optimized ensemble model processed a commercial library containing 1.6 million molecules. This resulted in a CDK8-focused screening library containing 1,672 molecules, a reduction of more than 99.90%. The CDK8-focused library was then subjected to molecular docking, and 25 candidate compounds were selected. Enzymatic assays confirmed six CDK8 inhibitors, with one compound producing an IC50 value of ≤100 nM. Analysis of the ensemble ML model reveals the role of the CDK8 fragment library during training. Structural analysis of molecules reveals the hit compounds to be structurally novel CDK8 inhibitors. Together, the results highlight a pipeline for curating a focused library for a specific protein target, such as CDK8.

Understanding the spatial distribution of soil organic carbon (SOC) content over different climatic regions will enhance our knowledge of carbon gains and losses due to climatic change. However, little is known about the SOC content in the contrasting arid and sub-humid regions of Iran, whose complex SOC–landscape relationships pose a challenge to spatial analysis. Machine learning (ML) models with a digital soil mapping framework can solve such complex relationships. Current research focusses on ensemble ML models to increase the accuracy of prediction. The usual ensemble method is boosting or weighted averaging. This study proposes a novel ensemble technique: the stacking of multiple ML models through a meta-learning model. In addition, we tested the ensemble through rescanning the covariate space to maximize the prediction accuracy. We first applied six state-of-the-art ML models (i.e., Cubist, random forests (RF), extreme gradient boosting (XGBoost), classical artificial neural network models (ANN), neural network ensemble based on model averaging (AvNNet), and deep learning neural networks (DNN)) to predict and map the spatial distribution of SOC content at six soil depth intervals for both regions. In addition, the stacking of multiple ML models through a meta-learning model with/without rescanning the covariate space were tested and applied to maximize the prediction accuracy. Out of six ML models, the DNN resulted in the best modeling accuracies, followed by RF, XGBoost, AvNNet, ANN, and Cubist. Importantly, the stacking of models indicated a significant improvement in the prediction of SOC content, especially when combined with rescanning the covariate space. For instance, the RMSE values for SOC content prediction of the upper 0–5 cm of the soil profiles of the arid site and the sub-humid site by the proposed stacking approaches were 17% and 9% respectively, less than that obtained by the DNN models—the best individual model. This indicates that rescanning the original covariate space by a meta-learning model can extract more information and improve the SOC content prediction accuracy. Overall, our results suggest that the stacking of diverse sets of models could be used to more accurately estimate the spatial distribution of SOC content in different climatic regions.

A study on road accident prediction and contributing factors using explainable machine learning models: analysis and performance

Utilizing an intelligent machine learning strategy for predicting the tensile strength and ductility properties of nitrogen doped CoCrFeMnNi based high entropy alloys

Background: The rapidly expanding concept, the Internet of Things (IoT), connects a large number of devices to the internet for effective real-time data sharing and communication. But as IoT technology advances, new security risks also arise, and for this reason, machine learning (ML)-based intrusion detection systems (IDS), particularly anomaly-based ones, have emerged as a crucial defence against these new dangers to IoT networks. Objective: The primary goal of this study is to develop and assess anomaly-based IDS based on ML techniques for use in Internet of Things environments. The goal is to improve the models' performance in terms of accuracy and usefulness. Methods: The first phase of the study is a thorough review of the recent studies in the field to support the model design. The steps of the experimental stage include data preprocessing, encoding, and normalization. Data balancing was achieved using the SMOTEENN technique. The experiments and validation studies were performed on the UNSW-NB15 dataset. The employed ML algorithms for the study include DT, DNN, RF, XGBoost, and KNN, and the performance was in terms of precision, recall, accuracy, and F1-score. Results: XGBoost recorded the best detection accuracy (96.37%), followed by RF and DNN. The models were evaluated on both normal and attack traffic, and the suggested model outperformed many existing approaches in recent literature. Conclusion: The experimental findings confirm the suitability of hybrid and ensemble ML models in improving intrusion detection performance in IoT systems. Future research should consider integrating real-time datasets and combining deep learning with ensemble methods to develop more robust and adaptive models.

Performance investigation of osmotically assisted reverse osmosis using explainable machine learning models: A comparative study

This paper analyses the recent evolution of the electricity price of one of the EastEuropean countries’ Balancing Markets (BM) – Romania, aiming to understand the prices trend and predict them in the current economic and geopolitical context. This is especially important as the electricity producers have to allocate their output between wholesale electricity market, ancillary services markets and BM targeting to maximize value and achieve a sustainable economic development. Therefore, in this paper, we propose an AI-powered electricity price forecast using several types of standout Machine Learning (ML) algorithms such as classifiers and regressors to predict the electricity price on BM. This approach, consisting of two steps, identifies the imbalance sign and significantly enhances the performance of the price forecast. The proposed method offers valuable insights into the market participants’ trading opportunities using two prediction solutions. The first prediction solution consists of averaging the results of five ensemble ML algorithms. The second one consists in weighting the results of the five forecasting ML algorithms using either a linear regression or a decision tree algorithm. Thus, we propose to combine supervised and unsupervised ML algorithms and find the fundamentals for creating optimal bidding strategies for electricity market players.

BackgroundSepsis-associated acute kidney injury (S-AKI) is a major contributor to mortality in intensive care units (ICU). Early prediction of mortality risk is crucial to enhance prognosis and optimize clinical decisions. This study aims to develop a 28-day mortality risk prediction model for S-AKI utilizing an explainable ensemble machine learning (ML) algorithm.MethodsThis study utilized data from the Medical Information Mart for Intensive Care IV (MIMIC-IV 2.0) database to gather information on patients with S-AKI. Univariate regression, correlation analysis and Boruta were combined for feature selection. To construct the four ML models, hyperparameters were tuned via random search and five-fold cross-validation. To evaluate the performance of all models, ROC, K-S, and LIFT curves were used. The discrimination of ML models and traditional scoring systems was compared using area under the receiver operating characteristic curve (AUC). Additionally, the SHapley Additive exPlanation (SHAP) was utilized to interpret the ML model and identify essential variables. To investigate the relationship between the top nine continuous variables and the risk of 28-day mortality. COX regression-restricted cubic splines were utilized while controlling for age and comorbidities.ResultsThe study analyzed data from 9,158 patients with S-AKI, dividing them into a 28-day mortality group of 1,940 and a survival group of 7,578. The results showed that XGBoost was the best performing model of the four ML models with AUC of 0.873. All models outperformed APS-III 0.713 and SAPS-II 0.681. The K-S and LIFT curves indicated XGBoost as the most effective predictor for 28-day mortality risk. The model’s performance was evaluated using ROCpr curves, calibration curves, accuracy, precision, and F1 scores. SHAP force plots were utilized to interpret and visualize the personalized predictive power of the 28-day mortality risk model. Additionally, COX regression restricted cubic splines revealed an interesting non-linear relationship between the top nine variables and 28-day mortality.ConclusionThe use of ensemble ML models has shown to be more effective than the LR model and conventional scoring systems in predicting 28-day mortality risk in S-AKI patients. By visualizing the XGBoost model with the best predictive performance, clinicians are able to identify high-risk patients early on and improve prognosis.