Machine Learning Methodology Research Articles

Leveraging Artificial Intelligence to Address Climate Change

The paper explores how AI-enabled utilizing data analytics and machine learning methodologies enables deeper insights into the intricate patterns and behaviors of climate dynamics by analysing amounts of various data, integrating information from various origins, like satellite imagery, and the sensory data is processed to reveal meaningful insights for better understanding and informed actions. These can inform any policy decisions and facilitate more targeted interventions to mitigate the impacts of the climate conditions. The work discussed here in this research provided sources focuses on leveraging artificial intelligence (AI) and machine learning (ML) to address climate change challenges. Studies emphasize AI-driven strategies for climate change adaptation and including predicting various changes in the environment, and changes in the weather patterns. The research highlights the importance of weather conditions, and change in the weather patterns, and in developing effective AI-powered climate change in the adaptation strategies. And accordingly, these studies shows how effectively different AI and ML models like LSTM, ANN, CNN in improving the climate predictions and understanding the weather. AI and ML technologies in enhancing the changes in the weather, mitigation.

Financing decisions following negative shocks in the product market: A matrix-completion study of the U.S. pharmaceutical industry

We investigate whether firms adjust their financing policies in response to a negative shock affecting their product market. Focusing on the pharmaceutical industry, we leverage the U.S. Inflation Reduction Act (IRA) of 2022 as an exogenous shock, marking the government's inaugural authority to negotiate drug prices. Using a matrix completion approach, a supervised machine-learning methodology that allows to compare treatment outcomes against predicted counterfactual values in absence of the treatment, our analysis reveals that pharmaceutical firms react to this regulatory intervention by issuing more equity. This finding suggests that firms raise fresh capital to mitigate the adverse impact of IRA on the product market.

Geometric characterization and segmentation of historic buildings using classification algorithms and convolutional networks in HBIM

Building Information Models (BIM) are essential for managing information and creating 3D digital representations, especially in the study of historic buildings. However, generating BIM models from point clouds in these structures is challenging due to complex algorithms and architectural forms. Artificial Intelligence (AI) technologies are beginning to automate point cloud classification and segmentation, but fully effective methods for historic buildings are still lacking. This study compares Machine Learning (ML) methodologies and a Deep Learning (DL) classifier. It evaluates the effectiveness of a neighbourhood algorithm with commercial software used by geometers and surveyors, and the applicability of convolutional networks. The methods tested include the Random Forest algorithm in MATLAB, commercial geomatics software, and a variant of the PointNet architecture for DL. The results are evaluated by BIM experts, highlighting the high effectiveness of these approaches and their potential contributions to the field.

Predictive Modelling of Network Capacity Demands: A Machine Learning Approach for Global Enterprise Backbone Networks

In the dynamic landscape of global enterprise networks, accurate capacity forecasting is paramount for ensuring optimal resource allocation and preventing service disruptions. This paper presents a hybrid machine learning methodology that combines Autoregressive Integrated Moving Average (ARIMA) models with additional techniques to enhance the accuracy and reliability of network capacity forecasts. By leveraging historical traffic data and incorporating external factors, we develop a predictive model that outperforms traditional methods and adapts to the evolving demands of modern networks. The effectiveness of our approach is validated through rigorous testing against established benchmarks, demonstrating significant improvements in forecasting accuracy.

Developing effective optimized machine learning approaches for settlement prediction of shallow foundation

The precise assessment of shallow foundation settlement on cohesionless soils is a challenging geotechnical issue, primarily due to the significant uncertainties related to the factors influencing the settlement. This study aims to create an advanced hybrid machine learning methodology for accurately estimating shallow foundations' settlement (Sm). The initial contribution of the current research is developing and validating a robust hybrid optimization methodology based on an artificial electric field and single candidate optimizer (AEFSCO). This approach is thoroughly tested using various benchmark functions. AEFSCO will also be used to optimize three useful machine learning methods: long short-term memory (LSTM), support vector regression (SVR), and multilayer perceptron neural network (MLPNN) by adjusting their hyperparameters for predicting the settlement of shallow foundations. A database consisting of 189 individual case histories, conducted through various investigations, was used for training and testing the models. The database includes five input parameters and one output. These factors encompassed both the geometric characteristics of the foundation and the properties of the sandy soil. The results demonstrate that employing effective optimization strategies to adjust the ML models’ hyperparameters can significantly improve the accuracy of predicted results. The AEFSCO has increased the coefficient of determination (R2) value of the MLPNN model by 9.3 %, the SVR model by 8 %, and the LSTM model by 22 %. Also, the LSTM-AEFSCO model is more accurate than the SVR-AEFSCO and MLPNN-AEFSCO models. This is shown by the fact that R2 went from 0.9494 to 0.9290 to 0.9903, which is an increase of 4.5 % and 6 %.

Analysis of effective area and mass transfer in a structure packing column using machine learning and response surface methodology

The study examined mass transfer coefficients in a structured CO2 absorption column using machine learning (ML) and response surface methodology (RSM). Three correlations for the fractional effective area (af), gas phase mass transfer coefficient (kG), and liquid phase mass transfer coefficient (kL) were derived with coefficient of determination (R2) values of 0.9717, 0.9907 and 0.9323, respectively. To develop these correlations, four characteristics of structured packings, including packing surface area (ap), packing corrugation angle (θ), packing channel base (B), and packing crimp height (h), were used. ML used five models, represented as random forest (RF), radial basis function neural network (RBF), multilayer perceptron (MLP), XGB Regressor, and Extra Trees Regressor (ETR), with the best models being radial basis function neural network (RBF) for af (R2 = 0.9813, MSE = 0.00088), RBF for kG (R2 = 0.9933, MSE = 0.00056), and multilayer perceptron (MLP) for kL (R2 = 0.9871, MSE = 0.00089). The channel base had the most impact on af and kL, while crimp height affected kG the most. Although the RSM method produced adequate equations for each output variable with good predictability, the ML method provides superior modeling capabilities.

Estimation of human age using machine learning on panoramic radiographs for Brazilian patients

This paper addresses a relevant problem in Forensic Sciences by integrating radiological techniques with advanced machine learning methodologies to create a non-invasive, efficient, and less examiner-dependent approach to age estimation. Our study includes a new dataset of 12,827 dental panoramic X-ray images representing the Brazilian population, covering an age range from 2.25 to 96.50 years. To analyze these exams, we employed a model adapted from InceptionV4, enhanced with data augmentation techniques. The proposed approach achieved robust and reliable results, with a Test Mean Absolute Error of 3.1 years and an R-squared value of 95.5%. Professional radiologists have validated that our model focuses on critical features for age assessment used in odontology, such as pulp chamber dimensions and stages of permanent teeth calcification. Importantly, the model also relies on anatomical information from the mandible, maxillary sinus, and vertebrae, which enables it to perform well even in edentulous cases. This study demonstrates the significant potential of machine learning to revolutionize age estimation in Forensic Science, offering a more accurate, efficient, and universally applicable solution.

Materials Properties Prediction (MAPP): Empowering the Prediction of Material Properties Solely Based on Chemical Formulas.

Predicting material properties has always been a challenging task in materials science. With the emergence of machine learning methodologies, new avenues have opened up. In this study, we build upon our recently developed graph neural network (GNN) approach to construct models that predict four distinct material properties. Our graph model represents materials as element graphs, with chemical formulas serving as the only input. This approach ensures permutation invariance, offering a robust solution to prior limitations. By employing bootstrap methods to train this individual GNN, we further enhance the reliability and accuracy of our predictions. With multi-task learning, we harness the power of extensive datasets to boost the performance of smaller ones. We introduce the inaugural version of the Materials Properties Prediction (MAPP) framework, empowering the prediction of material properties solely based on chemical formulas.

Quantum mechanical electronic and geometric parameters for DNA k-mers as features for machine learning

We are witnessing a steep increase in model development initiatives in genomics that employ high-end machine learning methodologies. Of particular interest are models that predict certain genomic characteristics based solely on DNA sequence. These models, however, treat the DNA as a mere collection of four, A, T, G and C, letters, dismissing the past advancements in science that can enable the use of more intricate information from nucleic acid sequences. Here, we provide a comprehensive database of quantum mechanical (QM) and geometric features for all the permutations of 7-meric DNA in their representative B, A and Z conformations. The database is generated by employing the applicable high-cost and time-consuming QM methodologies. This can thus make it seamless to associate a wealth of novel molecular features to any DNA sequence, by scanning it with a matching k-meric window and pulling the pre-computed values from our database for further use in modelling. We demonstrate the usefulness of our deposited features through their exclusive use in developing a model for A->C mutation rates.

Machine Learning, Deep Learning, and Data Preprocessing Techniques for Detecting, Predicting, and Monitoring Stress and Stress-Related Mental Disorders: Scoping Review.

Mental stress and its consequent mental health disorders (MDs) constitute a significant public health issue. With the advent of machine learning (ML), there is potential to harness computational techniques for better understanding and addressing mental stress and MDs. This comprehensive review seeks to elucidate the current ML methodologies used in this domain to pave the way for enhanced detection, prediction, and analysis of mental stress and its subsequent MDs. This review aims to investigate the scope of ML methodologies used in the detection, prediction, and analysis of mental stress and its consequent MDs. Using a rigorous scoping review process with PRISMA-ScR (Preferred Reporting Items for Systematic Reviews and Meta-Analyses extension for Scoping Reviews) guidelines, this investigation delves into the latest ML algorithms, preprocessing techniques, and data types used in the context of stress and stress-related MDs. A total of 98 peer-reviewed publications were examined for this review. The findings highlight that support vector machine, neural network, and random forest models consistently exhibited superior accuracy and robustness among all ML algorithms examined. Physiological parameters such as heart rate measurements and skin response are prevalently used as stress predictors due to their rich explanatory information concerning stress and stress-related MDs, as well as the relative ease of data acquisition. The application of dimensionality reduction techniques, including mappings, feature selection, filtering, and noise reduction, is frequently observed as a crucial step preceding the training of ML algorithms. The synthesis of this review identified significant research gaps and outlines future directions for the field. These encompass areas such as model interpretability, model personalization, the incorporation of naturalistic settings, and real-time processing capabilities for the detection and prediction of stress and stress-related MDs.

Explore key genes of Crohn’s disease based on glycerophospholipid metabolism: A comprehensive analysis Utilizing Mendelian Randomization, Multi-Omics integration, Machine Learning, and SHAP methodology

Background and AimsCrohn’s disease (CD) is a chronic, complex inflammatory condition with increasing incidence and prevalence worldwide. However, the causes of CD remain incompletely understood. We identified CD-related metabolites, inflammatory factors, and key genes by Mendelian randomization (MR), multi-omics integration, machine learning (ML), and SHAP. MethodsWe first performed a mediation MR analysis on 1400 serum metabolites, 91 inflammatory factors, and CD. We found that certain phospholipids are causally related to CD. In the scRNA-seq data, monocytes were categorized into high and low metabolism groups based on their glycerophospholipid metabolism scores. The differentially expressed genes of these two groups of cells were extracted, and transcription factor prediction, cell communication analysis, and GSEA analysis were performed. After further screening of differentially expressed genes (FDR<0.05, log2FC>1), least absolute shrinkage and selection operator (LASSO) regression was performed to obtain hub genes. Models for hub genes were built using the Catboost, XGboost, and NGboost methods. Further, we used the SHAP method to interpret the models and obtain the gene with the highest contribution to each model. Finally, qRT-PCR was used to verify the expression of these genes in the peripheral blood mononuclear cells (PBMC) of CD patients and healthy subjects. ResultMR results showed 1-palmitoyl-2-stearoyl-gpc (16:0/18:0) levels, 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) levels, 1-arachidonoyl-gpc (20:4n6) levels, 1-palmitoyl-2-arachidonoyl-gpc (16:0/20:4n6) levels, and 1-arachidonoyl-GPE (20:4n6) levels were significantly associated with CD risk reduction (FDR<0.05), with CXCL9 acting as a mediation between these phospholipids and CD. The analysis identified 19 hub genes, with Catboost, XGboost, and NGboost achieving AUC of 0.91, 0.88, and 0.85, respectively. The SHAP methodology obtained the three genes with the highest model contribution: G0S2, S100A8, and PLAUR. The qRT-PCR results showed that the expression levels of S100A8 (p = 0.0003), G0S2 (p < 0.0001), and PLAUR (p = 0.0141) in the PBMC of CD patients were higher than healthy subjects. ConclusionMR findings suggest that certain phospholipids may lower CD risk. G0S2, S100A8, and PLAUR may be potential pathogenic genes in CD. These phospholipids and genes could serve as novel diagnostic and therapeutic targets for CD.

Broadband high gain performance MIMO antenna array for 5 G mm-wave applications-based gain prediction using machine learning approach

This paper presents the findings about implementing a machine learning (ML) technique to optimize the performance of 5 G mm wave applications utilizing multiple-input multiple-output (MIMO) antennas operating at the 28 GHz frequency band. This article examines various methodologies, including simulation, measurement, and the utilization of an RLC-equivalent circuit model, to evaluate the appropriateness of an antenna for its intended applications. In addition to its compact dimensions, the proposed design exhibits a maximum gain of 10.34 dBi, superior isolation exceeding 26 dB, and a broad bandwidth of 16.56 % Centered at 28 GHz and spanning from 25.905 to 30.544 GHz. Another supervised regression machine learning technique is utilized to predict the antenna's gain accurately. Machine learning (ML) models can be assessed by several measures, such as the variance score, R square, mean square error (MSE), mean absolute error (MAE), root mean square error (RMSE), and Mean Absolute Percentage Error (MAPE). Among the six machine learning models considered, it is seen that the Gaussian Process Regression (GPR) model exhibits the lowest error and achieves the highest level of accuracy in forecasting gain. The antenna under consideration has promising qualities for its intended use in high-band 5 G applications. This is evidenced by the modelling findings obtained from Computer Simulation Technology (CST) and Advanced Design System (ADS)and the measured and projected results derived using machine learning methodologies.

BCLH2Pro: A novel computational tools approach for hydrogen production prediction via machine learning in biomass chemical looping processes

This study optimizes biomass chemical looping processes (BCLpro), a technique for converting biomass to energy, through machine learning (ML) for sustainable energy production. The study proposes an integrated Fe2O3-based ฺBCLpro combining steam gasification for H2 production. Aspen Plus is used as the primary tool to generate extensive datasets covering 24 biomass types with 18 feature inputs in a supervised model. A methodology involving K-Nearest Neighbors (KNN), Extreme Gradient Boosting (XGB), Light Gradient Boosting Machine (LGBM), Support Vector Machine (SVM), Random Forest (RF), and CatBoost (CB) algorithms was employed to predict H2 yields in the BCLpro, utilizing 10-fold cross-validation for robust model evaluation. Findings highlight the CB algorithm's superior performance, achieving up to 98% predictive accuracy, with carbon content, reducer temperature, and Fe2O3/Al2O3 mass ratio identified as crucial features. The algorithm has been developed into a user-friendly tool, BCLH2Pro, accessible via a web server. This tool is designed to assist in reducing costs, optimizing biomass selection, and planning operational conditions to maximize H2 yield in BCLpro systems. Access to the tool can be obtained through the following link: http://bclh2pro.pythonanywhere.com/.

An interpretable machine learning methodology to generate interaction effect hypotheses from complex datasets

AbstractMachine learning (ML) models are increasingly being used in decision‐making, but they can be difficult to understand because most ML models are black boxes, meaning that their inner workings are not transparent. This can make interpreting the results of ML models and understanding the underlying data‐generation process (DGP) challenging. In this article, we propose a novel methodology called Simple Interaction Finding Technique (SIFT) that can help make ML models more interpretable. SIFT is a data‐ and model‐agnostic approach that can be used to identify interaction effects between variables in a dataset. This can help improve our understanding of the DGP and make ML models more transparent and explainable to a wider audience. We test the proposed methodology against various factors (such as ML model complexity, dataset noise, spurious variables, and variable distributions) to assess its effectiveness and weaknesses. We show that the methodology is robust against many potential problems in the underlying dataset as well as ML algorithms.

Comprehensive study of medications solubility in supercritical CO2 with and without co-solvent; Laboratory, theoretical, and intelligent approaches

Determining the dissolution characteristics of medicines in supercritical CO2 is vital for formulating innovative drug delivery systems through an efficient supercritical process. This study investigates the solubility of three poorly bioavailable drugs −Topiramate, Meclizine, and Dimenhydrinate- in supercritical CO2, both with and without ethanol co-solvent, over a temperature range of 308 K to 348 K and pressures from 17 MPa to 41 MPa. The solubility of these medicines in supercritical CO2 (binary system) is notably low, ranging from 2.5 × 10-6 − 4.54 × 10-6, 0.26 × 10-5 − 2.3 × 10-5, and 0.20 × 10-5 − 1.91 × 10-5 in mole fraction, respectively. However, in the presence of ethanol (ternary system), their supercritical solubility significantly increases by factors of 2.75–5.84, 1.40–3.20, and 2.04–4.85, respectively.The supercritical solubility of the mentioned compounds are theoretically evaluated using several approaches, including empirical models, a machine learning methodology employing a multilayer perceptron neural network, thermodynamic models based on two cubic equations of state (Peng-Robinson (PR) and Soave–Redlich–Kwong (SRK)), and a non-cubic equation of state (perturbed chain-statistical associating fluid theory (PC-SAFT)), as well as two expanded liquid models (UNIQUAC and Wilson).The findings revealed that all the specified models demonstrate acceptable accuracy in correlating the experimental data of the specified drugs in both binary and ternary systems. Among these, the PR and SRK thermodynamic models, along with some empirical models, show the best results. Furthermore, the machine learning model exhibited outstanding accuracy in forecasting the supercritical solubility of the desired drugs, with over 99.9% alignment between their predicted and experimental data.

Multidisciplinary cancer disease classification using adaptive FL in healthcare industry 5.0

Emerging Industry 5.0 designs promote artificial intelligence services and data-driven applications across multiple places with varying ownership that need special data protection and privacy considerations to prevent the disclosure of private information to outsiders. Due to this, federated learning offers a method for improving machine-learning models without accessing the train data at a single manufacturing facility. We provide a self-adaptive framework for federated machine learning of healthcare intelligent systems in this research. Our method takes into account the participating parties at various levels of healthcare ecosystem abstraction. Each hospital trains its local model internally in a self-adaptive style and transmits it to the centralized server for universal model optimization and communication cycle reduction. To represent a multi-task optimization issue, we split the dataset into as many subsets as devices. Each device selects the most advantageous subset for every local iteration of the model. On a training dataset, our initial study demonstrates the algorithm's ability to converge various hospital and device counts. By merging a federated machine-learning approach with advanced deep machine-learning models, we can simply and accurately predict multidisciplinary cancer diseases in the human body. Furthermore, in the smart healthcare industry 5.0, the results of federated machine learning approaches are used to validate multidisciplinary cancer disease prediction. The proposed adaptive federated machine learning methodology achieved 90.0%, while the conventional federated learning approach achieved 87.30%, both of which were higher than the previous state-of-the-art methodologies for cancer disease prediction in the smart healthcare industry 5.0.

(Invited) Evolution of Single Atom Catalysts during CO2 Electrocatalytic Reduction

The re-utilization of CO2 via its electrocatalytic reduction (CO2RR) into value-added chemicals and fuels is a promising avenue to minimize the impact of existing technologies on the climate change. This requires the development of low cost, efficient, selective and durable electrocatalysts based of their rational understanding. Moreover, it should be considered that even morphologically and chemically well-defined pre-catalysts can be susceptible to drastic modifications under operation, especially when the reaction conditions themselves change dynamically.This talk will address the transformations that Metal-N-C catalysts (M=Cu, Ni, Co, Fe, Sn, Zn) experience during static and pulsed CO2RR using operando quick X-ray absorption spectroscopy (XAS) and Raman spectroscopy. In particular, I will illustrate the astonishing behaviordisplayed by Cu-N-C catalystsduring CO2RR, featuring reversible transformations from single atom sites towards Cu nanoparticles. The switchable nature of these species that can be achieved by applying different potential pulses holds the key for the on-demand control of the distribution of the CO2RR products and thus, a wide-spread adoption of this process.Moreover, I will elucidate the nature of the ligands forming under CO2RR at singly dispersed Ni sites in Ni-N-C catalysts, which are currently drawing great attention for their high performances in the CO formation. This will be achieved by a synergistic combination of conventional XAS, high energy resolution fluorescence detected X-ray absorption near edge structure (HERFD-XANES) spectroscopy, and X-ray emission spectroscopy (XES) coupled with unsupervised and supervised machine learning methodologies and density functional theory.Overall, my lecture will feature the importance of operando characterization of electrocatalysts in order to unveil structure/composition-reactivity correlations during CO2RR.

Optimizing Curriculum Vitae Concordance: A Comparative Examination of Classical Machine Learning Algorithms and Large Language Model Architectures

Digital recruitment systems have revolutionized the hiring paradigm, imparting exceptional efficiencies and extending the reach for both employers and job seekers. This investigation scrutinized the efficacy of classical machine learning methodologies alongside advanced large language models (LLMs) in aligning resumes with job categories. Traditional matching techniques, such as Logistic Regression, Decision Trees, Naïve Bayes, and Support Vector Machines, are constrained by the necessity of manual feature extraction, limited feature representation, and performance degradation, particularly as dataset size escalates, rendering them less suitable for large-scale applications. Conversely, LLMs such as GPT-4, GPT-3, and LLAMA adeptly process unstructured textual content, capturing nuanced language and context with greater precision. We evaluated these methodologies utilizing two datasets comprising resumes and job descriptions to ascertain their accuracy, efficiency, and scalability. Our results revealed that while conventional models excel at processing structured data, LLMs significantly enhance the interpretation and matching of intricate textual information. This study highlights the transformative potential of LLMs in recruitment, offering insights into their application and future research avenues.

An Early Detection of Tuberculosis Using Chest X-Ray with Computer-Aided Diagnosis through Machine Learning and Deep Learning Methodology

An Early Detection of Tuberculosis Using Chest X-Ray with Computer-Aided Diagnosis through Machine Learning and Deep Learning Methodology

Hyper-local black carbon prediction by integrating land use variables with explainable machine learning model

This research introduces an innovative framework that effectively integrates the Land Use Regression (LUR) model with an explainable machine learning methodology, thereby enhancing the causal understanding of how land use variables impact Black Carbon (BC) concentrations in complex urban landscapes. Through the development and application of a LUR-based Bayesian Network (BN) model to detailed, mobile-based BC measurements, we have successfully decoded the causal relationships and conditional probabilities linking diverse urban land use variables to BC levels. The BN model demonstrates notable prediction accuracy on the test set, with an R2 of 0.59 and an NRMSE of 0.65. Among the varied land use variables analyzed, proximity to the port is identified as the dominant factor contributing to BC hotspots. Moreover, the synergistic effect of port proximity and truck routes emerges as a key driver of spatially clustered BC hotspots, a complex phenomenon not adequately captured by conventional machine learning and deep learning models. The insights revealed through this study are vital not just for enhancing air pollution prediction and exposure analysis but also for informing urban planning and policymaking, offering valuable, actionable insights.