Prediction Techniques Research Articles

Predictive Analytics Technique based on hybrid Sampling to manage Unbalanced Data in Smart Cities

A smart city is deemed smart enough because it has the capability to make decisions on its own. Artificial intelligence needs a lot of data from the physical world to make correct decisions. IoT sensor devices collect data from the surroundings, which is further used for predictive analytics. Collected data may be balanced or imbalanced. Unbalanced data used for decision-making without any pre-processing may lead to ravaging results. This paper proposes a novel predictive analytical technique to manage unbalanced data. A pipeline is designed using Principal Component Analysis (PCA), a hybrid sampling method, and a Machine Learning (ML) prediction method. SMOTE + ENN, a hybrid data balancing method, is used to specify imbalanced data to a balanced state. ML method is applied to form clusters and make predictions over the dataset. A large Smart City IoT dataset having 4,05,184 records has been used in this study. The proposed technique is used to predict the presence of a person in the vicinity of IoT devices. Evaluation parameters such as accuracy, precision, recall, F1-score, and Area Under Curve (AUC)/Receiver Operating Characteristic (ROC) curve are used to evaluate the proposed approach. Accuracy, Precision, Recall, F1-score, and AUC obtained using the proposed technique for cluster 0 are 0.79, 1.0, 0.79, 0.87, and 0.88 and for cluster 1 are 0.86 0.99, 0.86, 0.92, and 0.92, respectively. In view of the encouraging results, the proposed technique may prove to be a good choice to help in decision-making in different application domains in real life.

Ocean wave prediction using Long Short-Term Memory (LSTM) and Extreme Gradient Boosting (XGBoost) in Tuban Regency for fisherman safety

The fishing industry has a large role in the Indonesian economy, with potential profits in 2020 of around US$ 1.338 billion. Tuban Regency is one of the regions in East Java that contributes to the fisheries sector. Fisheries relate to the work of fishermen. Accidents in shipping are still a major concern. One of the natural factors that influence shipping accidents is the height of the waves. Fisherman safety regulations have been established by the Ministry of Maritime Affairs and Fisheries and the Meteorology, Climatology and Geophysics Agency. Apart from regulations, the results of wave height predictions using the Long Short-Term Memory (LSTM) and Extreme Gradient Boosting (XGBoost) methods can help fishermen determine shipping departures, thereby reducing the risk of accidents. In this study, the Grid Search hyperparameter tuning process was used for both methods which were carried out on four location coordinates. Based on the analysis results, LSTM is superior in predicting wave height for the next 30 days because it can predict wave height at all three locations, with results at the first location (RMSE 0.045; MAE 0.029; MAPE 8.671%), second location (RMSE 0.051; MAE 0.035; MAPE 10.64%), and third location (RMSE 0.044; MAE 0.027; MAPE 7.773%), while XGBoost only has the best value at fourth location (RMSE 0.040; MAE 0.025; MAPE 7.286%).Hyperparameter tuning with gridsearch is used in LSTM and XGBoost to obtain optimal accuracyLSTM outperforms in three locations, while XGBoost outperforms in the fourth location.Advanced prediction techniques such as LSTM and XGBoost improve fishermen's safety by providing accurate wave height estimates, thereby reducing the possibility of shipping accidents.

A spatially explicit multi-hazard framework for assessing flood, landslide, wildfire, and drought susceptibilities

Sustainable development goals require evaluating vulnerabilities and examining natural and climatic hazards for effective planning that reduces their impact on economic, social, and developmental efforts. Key hazards like floods, landslides, wildfires, and droughts have significantly affected terrestrial ecosystems and human societies, emphasizing the importance of comprehending these hazards. This study aimed to predict and spatially map multi-hazard, identifying historical and potential risks to inform sustainable development and construction programs that mitigate risks and promote resilience. A 34-year drought magnitude map was generated using long-term data, and ensemble and individual machine learning techniques were used to produce maps of flood, landslide, and wildfire hazards in a northwest region of Iran. Results demonstrated that ensemble learning models outperformed individual models, with the top-performing models being the weighted average (WA) of the two best models, random forest, extreme gradient boosting, WA models with over 80% accuracy, and WA incorporating all models, respectively. The CART model performed best among individual models. Variable importance analysis revealed that slope and precipitation were crucial factors for identifying high-hazard landslide areas, distance from waterways, vegetation cover, and topographic humidity index emerged as the most crucial factor for identifying flood hazard areas, while vegetation, rainfall, and proximity to roads significantly impacted wildfire hazard. The multi-hazard map produced by our study indicated that about 30% of the study area was highly and very highly susceptible to floods, landslides, wildfires, and droughts and the hazards mitigation efforts should be primarily directed to these specific portions of the study area. Our study underscored the importance of integrating long-term data and machine learning techniques in multi-hazard prediction and mapping, ultimately guiding mitigation efforts and promoting resilience in the face of natural and climatic hazards.

Competitive cost-effective memory access predictor through short-term online SVM and dynamic vocabularies

In recent years, there has been a significant increase in the processing of massive amounts of data, driven by the growing demands of mobile systems, parallel and distributed architectures, and real-time systems. This applies to various types of platforms, both specific and general-purpose. Despite numerous advancements in Computer Systems, a critical challenge remains: the efficiency and speed of memory access. This bottleneck is being addressed through cache prefetching, that is, by predicting the next memory address to be accessed and then by having always prefetched in the cache system those data to be used shortly by the processor. This paper explores established intelligent techniques for address prediction, examining their limitations and analyzing the memory access patterns of popular software applications. Building on the successes of previous intelligent predictors based on Machine and Deep Learning models, we introduce a new predictor, SVM4AP (Support Vector Machine For Address Prediction), designed to overcome the identified drawbacks of its predecessors. The architecture of SVM4AP improves the trade-off between performance and cost, compared to those previous proposals in the literature, achieving high accuracy through short-term learning. Comparisons are made with two prominent predictors from the literature: the classical DFCM (Differential Finite Context Method) and the contemporary Deep Learning-based DCLSTM (Doubly Compressed Long-Short Term Memory). The results demonstrate that SVM4AP achieves superior cost-effectiveness across various configurations. Simulations reveal that SVM4AP configurations dominate both DFCM and DCLSTM counterparts, forming the majority of the first Paretto front. Particularly noteworthy is the significant advantage of our proposal for small-size predictors. Furthermore, we release an open-source tool enabling the scientific community to reproduce the results presented in this paper using a set of benchmark traces.

Satellite Imagery, Big Data, IoT and Deep Learning Techniques for Wheat Yield Prediction in Morocco

In the domain of efficient management of resources and ensuring nutritional consistency, accuracy in predicting crop yields becomes crucial. The advancement of artificial intelligence techniques, synchronized with satellite imagery, has emerged as a potent approach for forecasting crop yields in modern times. We used two types of data: spatial data and temporal data. Spatial data are gathered from satellite imagery and processed using ArcGIS to extract data about crops based on several indices like NDVI and NWDI. Temporal data are gathered from agricultural sensors such as temperature sensors, rainfall sensor, precipitation sensor and soil moisture sensor. In our case we used Sentinel 2 satellite to extract vegetation indices. We have used IoT systems, especially Raspberry Pi B+ to collect and process data coming from sensors. All data collected are then stored into a NoSQL server to be analysed and processed. Several machine learning and deep learning algorithms have been used for the processing of crop recommendation system, such as logistic regression, KNN, decision tree, support vector machine, LSTM, and Bi-LSTM through the collected dataset. We used GRU deep learning model for the best performance, the RMSE and R2 for this model was 0,00036 and 0,99 respectively.The main contribution of our paper is the development of a new system that can predict several crop yields, such as wheat, maize, etc, using IoT, satellite imagery for spatial data and the use of sensors for temporal data. We are the first paper that has combined spatial data and temporal data to predict crop yield based on deep learning algorithms, unlike other works that uses only remote sensing data or temporal data. We created an E-monitoring crop yield prediction system that helps farmers track all information about crops and show the result of prediction in a mobile application. This system helps farmers with more efficient decision making to enhance crop production. The main production regions of wheat in Morocco are in the rainfed areas of the plains and plateaus of Chaouia, Abda, Haouz, Tadla, Gharb and Saïs. We studied three main regions well known for wheat production which are Rabat-Salé, Fez-Meknes, Casablanca-Settat.

A comprehensive study on tuberculosis prediction models: Integrating machine learning into epidemiological analysis.

Tuberculosis (TB), the second leading infectious killer globally, claimed the lives of 1.3 million individuals in 2022, after COVID-19, surpassing the toll of HIV and AIDS. With an estimated 10.6 million new TB cases worldwide in 2022, the gravity of the disease persists, necessitating urgent attention. Tuberculosis remains a critical public health crisis, and efforts to combat this infectious disease demand intensified global commitment and resources. This study utilizes predictive modeling techniques to forecast the incidence of Tuberculosis (TB), employing a range of machine learning models. Additionally, the research incorporates impactful visualizations for comprehensive data exploration,analysis and comparison. Various machine learning models are developed to anticipate TB incidence, with the optimal performing model to customize a user-defined function. This research provides valuable insights into the potential determinants influencing TB incidence, contributing to the identification of strategies for preventing the spread of Tuberculosis.

Artificial Intelligence-Based Direct Power Control for Power Quality Improvement in a WT-DFIG System via Neural Networks: Prediction and Classification Techniques

This paper discusses the improvement of power quality injected into the AC grid. This approach is achieved by enhancing the quality of injected power signals and mastering the active and reactive power exchanged between the DFIG based wind turbine (WT-DFIG) and the electrical grid, resulting in an improvement of the overall system performance and efficiency. This study includes all WT-DFIG operating modes, successively and continuously, as well as all local reactive power compensation modes. Therefore, novel control strategies are proposed in this paper for wind energy conversion systems based on artificial intelligence techniques. These techniques include Neural Network Prediction (PNN-DPC) and Classification (CNN-DPC). They aim to eliminate the drawbacks and difficulties associated with conventional Direct Power Control (C-DPC), while retaining its advantages. The paper also provides a thorough explanation of the mathematical models for neural network techniques and WT-DFIG system models. The MATLAB/Simulink environment is used to investigate the performance of the proposed techniques under different conditions and operating modes related to different scenarios. The results reveal a significant reduction in the ripple of the generated active power and the compensated local reactive power, better quality of the generated signal currents and a remarkable reduction in the current total harmonic distortion (THD). Furthermore, compared to C-DPC, PNN-DPC achieves a reduction of 72.07% in active power ripples, 77.07% in reactive power ripples, and 76.79% in current Total Harmonic Distortion (THD). CNN-DPC shows similar improvements with 72.04%, 77.13%, and 76.54% of reductions respectively. In addition, CNN-DPC slightly outperforms PNN-DPC. Nevertheless, both proposed control techniques show significant improvements in all characteristics compared to other methods. Consequently, the proposed control strategies indicate that artificial intelligence has the potential to improve the power quality and performance of wind power conversion system.

Hybrid deep learning model with VMD-BiLSTM-GRU networks for short-term traffic flow prediction

Accelerating urbanization and the rapid development of intelligent transportation systems have rendered short-term traffic flow prediction an important research field. Accurate prediction of traffic flow is beneficial for the optimization of traffic planning, improvement of road utilization, reduction of traffic congestion, and reduction in the incidence of traffic accidents. However, data pertaining to traffic flow are typically influenced by a multitude of factors, resulting in data that exhibit a considerable degree of nonlinearity and complexity. To address the issue of noise in raw traffic flow data, this study proposes a hybrid model that combines variational modal decomposition (VMD), a bidirectional long short-term memory network (BiLSTM), and a gated recurrent unit (GRU) for short-term traffic flow prediction. To validate the effectiveness of the model, an experimental validation was conducted based on traffic flow data from UK highways, and the performance of the model was compared with common benchmark models. The experimental results demonstrate that the proposed method yields superior prediction results in terms of mean absolute error, coefficient of determination, and root-mean-square error compared to existing prediction techniques, thereby substantiating its efficacy in short-term traffic flow prediction.

A memory access number constraint-based string prediction technique for high throughput SCC implemented in AVS3

String prediction (SP) is a highly efficient screen content coding (SCC) tool that has been adopted in international and Chinese video coding standards. SP exhibits a highly flexible and efficient ability to predict repetitive matching patterns. However, SP also suffers from low throughput of decoded display output pixels per memory access, which is synchronized with the decoder clock, due to the high number of memory accesses required to decode an SP coding unit for display. Even in state-of-the-art (SOTA) SP, the worst-case scenario involves two memory accesses for decoding each 4-pixel basic string unit across two memory access units, resulting in a throughput as low as two pixels per memory access (PPMA). To solve this problem, we are the first to propose a technique called memory access number constraint-based string prediction (MANC-SP) to achieve high throughput in SCC. First, a novel MANC-SP framework is proposed, a well-designed memory access number constraint rule is established on the basis of statistical data, and a constrained RDO-based string searching method is presented. Compared with the existing SOTA SP, the experimental results demonstrate that MANC-SP can improve the throughput from 2 to 2.67 PPMA, achieving a throughput improvement of 33.33% while maintaining a negligible impact on coding efficiency and complexity.

Two Stage Sinus Lifting Using Nanohydroxyapatite Particles Versus Deproteinized Bovine Bone: Randomized Clinical Trial.

Sinus floor elevation is one of the predictable techniques for augmentation of vertically deficient posterior maxillary alveolar ridges. Several biomaterials were reported to be successful for sinus augmentation, including xenografts and hydroxyapatite. The aim of this study was to compare the quality and quantity of generated bone using xenografts versus nanohydroxyapatite in sinus augmentation. Twenty-four patients/sinuses were randomly assigned into two groups; in the control group, patients underwent sinus floor elevation and augmentation using deproteinized bovine bone (DBB), whereas in the study group, the sinus was augmented using nanohydroxy-apatite bone (NHA). For each patient, the amount of bone height was assessed preoperatively, immediately postoperatively, and 6 months postoperatively. Furthermore, the quality of the newly formed bone was assessed via histological and histomorphometric analyses after 6 months postoperatively. Both biomaterials showed a good level of consolidation. In the study group, the mean bone height after 6 months was 11.72 ± 1.24 compared to 12.01 ± 1.16 mm in the control group which was not statistically significant (p > 0.05). The mean bone area percent of newly formed bone was 29.84% ± 6.7% for NHA group and 34.73 ± 7.9 for DBB group. Moreover, the mean percent of residual grafting material was 32.43% ± 11.53% for NHA group compared to 30.43% ± 8.27% for DBB group. Histologically, there was no significant difference between both groups regarding different parameters (p > 0.05). The two-stage sinus floor augmentation using NHA and DBB revealed no statistically significant difference regarding both the quality and the quantity of the regenerated bone. Studies with larger samples and longer follow up are recommended. ClinicalTrials.gov identifier: NCT03184857.

A Privacy-Preserving Data Mining Through Comprehensive GNIPP Approach in Sensitive Data Sets

The quick growth of methods for analyzing data and the availability of easily available datasets have made it possible to build a thorough analytics model that can help with support decision-making. In the meantime, protecting personal privacy is crucial. A popular technique for medical evaluation and prediction, decision trees are easy to comprehend and interpret. However, the decision tree construction procedure may reveal personal information about an individual. By keeping the statistical properties intact and limiting the chance of privacy leaking within a reasonable bound, differential privacy offers a formal mathematical definition of privacy. To construct a boosting random forest that preserves privacy, we propose a Gaussian Noise Integrated Privacy Preservation (GNIPP) in this study. To address the issue of personal information breaches, we have designed a unique Gaussian distribution mechanism in GNIPP that enables the nodes with deeper depth to obtain more privacy during the decision tree construction process. We propose a comprehensive boosting technique based on the decision forest's prediction accuracy for assembling multiple decision trees into a forest. Furthermore, we propose an iterative technique to accelerate the assembly of decision trees. After all, we demonstrate through experimentation that the suggested GNIPP outperforms alternative algorithms on two real-world datasets.

Data-driven approach to optimizing property management strategies: spatial modeling analytics of short-term rentals

Purpose This study aims to explore the impact of locational and seasonal factors on the financial performance of short-term rental properties in Margaret River, Western Australia. It seeks to address the gap in understanding how these factors influence key financial metrics such as average daily rate (ADR) and occupancy rates, providing insights for property managers, investors and policymakers. Design/methodology/approach The research uses a mixed-method approach, integrating advanced predictive modeling techniques, such as Random Forests and Gradient Boosting, with spatial clustering algorithms like density-based spatial clustering of applications with noise (DBSCAN) and ordering points to identify the clustering structure (OPTICS). The study analyzes a comprehensive data set of short-term rental properties between 2012 and 2019. It focuses on locational attributes, seasonal variations and financial outcomes. Findings The findings reveal that properties located near tourist attractions and amenities consistently achieve higher ADRs and occupancy rates, confirming the critical role of location in driving rental demand. Seasonal analysis indicates significant fluctuations in both ADR and occupancy rates, with peaks during high tourist seasons and troughs in off-peak periods. The study underscores the importance of dynamic pricing strategies to optimize revenue and sustain occupancy across different seasons. In addition, it highlights the influence of property features, such as the number of bedrooms and bathrooms, on ADR, while noting that larger properties do not necessarily achieve higher occupancy rates. Research limitations/implications Future research could expand the scope to include different locations and explore the long-term impacts of locational and seasonal factors on property performance. Originality/value This research contributes to the literature by integrating spatial analysis with advanced predictive modeling techniques to provide a nuanced understanding of how locational and seasonal factors impact financial performance in the short-term rental market. It offers a novel application of data analytics within the context of tourism and hospitality management, bridging theoretical frameworks with practical insights.

Artificial Intelligence-based Enhanced Brain Tumor Prediction: A Comprehensive Investigation of Machine Learning and Deep Learning

Brain tumors pose a significant threat to patients’ quality of life and survival rates, with traditional diagnostic methods often falling short due to their time-consuming nature and susceptibility to high misdiagnosis rates. Recent progress in Artificial Intelligence (AI), especially in Machine Learning (ML) and Deep Learning (DL), offer promising alternatives for the prediction and diagnosis of brain tumors. AI models, including Support Vector Machine (SVM), Random Forests, Logistic Regression, Artificial Neural Network (ANN), Convolutional Neural Network (CNN), and Long Short-Term Memory (LSTM) models networks, have demonstrated superior performance in processing complex medical data, thereby enhancing predictive accuracy and aiding clinical decision-making. This review systematically evaluates the application of these AI techniques in brain tumor prediction, highlighting their strengths and limitations, as well as the challenges faced in terms of model interpretability, data applicability, and patient privacy. Furthermore, this paper explored future prospects for improving model interpretability, transfer learning and domain adaptation for enhancing model applicability, and federated learning for preserving patient privacy. By addressing these issues, Artificial Intelligence can significantly advance brain tumor diagnosis and treatment, ultimately improving patient outcomes.

Data and Molecular Fingerprint-Driven Machine Learning Approaches to Halogen Bonding.

The ability to predict the strength of halogen bonds and properties of halogen bond (XB) donors has significant utility for medicinal chemistry and materials science. XBs are typically calculated through expensive ab initio methods. Thus, the development of tools and techniques for fast, accurate, and efficient property predictions has become increasingly more important. Herein, we employ three machine learning models to classify the XB donors and complexes by their principal halogen atom as well as predict the values of the maximum point on the electrostatic potential surface (VS,max) and interaction strength of the XB complexes through a molecular fingerprint and data-based analysis. The fingerprint analysis produces a root-mean-square error of ca. 7.5 and ca. 5.5 kcal mol-1 while predicting the VS,max for the halobenzene and haloethynylbenzene systems, respectively. However, the prediction of the binding energy between the XB donors and ammonia acceptor is shown to be within 1 kcal mol-1 of the density functional theory (DFT)-calculated energy. More accurate predictions can be made from the precalculated DFT data when compared to the fingerprint analysis.

Evaluation of Clustering Techniques for Solar Irradiance Prediction for Optimal Design of Microgrids in Rural Communities

Abstract The electrification of rural communities is crucial from both social and economic perspectives, aligned with Sustainable Development Goal 7: “Affordable and Clean Energy”. This study presents a comprehensive comparison of clustering techniques, including k-means, Gaussian Mixture Models (GMM), Hierarchical Clustering, Density-based Spatial Clustering of Applications with Noise (DBSCAN), and Agglomerative Clustering, aimed at enhancing solar irradiance prediction. Leveraging historical climate data from a rural community in the coastal region of Ecuador, each technique is evaluated using error metrics such as Mean Absolute Error (MAE) and Coefficient of Determination R2. This assessment identifies the most effective clustering technique in this specific context. In order to delve deeper into these comparisons, simulations are conducted in AMPL to validate and refine the selection of techniques. In this process, it is considered the sizing and design of a microgrid within the Barcelona community, Ecuador, which integrates various energy sources, including solar. Additionally, a penalty system is introduced for unmet energy demands during less critical periods, thereby optimizing efficiency and enhancing energy availability within the community. In conclusion, this paper introduces a scalable methodology to improve solar irradiance prediction, emphasizing the significance of comparing clustering techniques as its main contribution. This advancement in prediction accuracy has the potential to enhance the feasibility and efficiency of renewable energy systems for rural communities, thereby fostering sustainable economic growth and bolstering efforts in climate change mitigation and adaptation.

A survey on feature extraction and learning techniques for link prediction in homogeneous and heterogeneous complex networks

Complex networks are commonly observed in several real-world areas, such as social, biological, and technical systems, where they exhibit complicated patterns of connectedness and organised clusters. These networks have intricate topological characteristics that frequently elude conventional characterization. Link prediction in complex networks, like data flow in telecommunications networks, protein interactions in biological systems, and social media interactions on platforms like Facebook, etc., is an essential element of network analytics and presents fresh research challenges. Consequently, there is a growing emphasis in research on creating new link prediction methods for different network applications. This survey investigates several strategies related to link prediction, ranging from feature extraction based to feature learning based techniques, with a specific focus on their utilisation in dynamic and developing network topologies. Furthermore, this paper emphasises on a wide variety of feature learning techniques that go beyond basic feature extraction and matrix factorization. It includes advanced learning-based algorithms and neural network techniques specifically designed for link prediction. The study also presents evaluation results of different link prediction techniques on homogeneous and heterogeneous network datasets, and provides a thorough examination of existing methods and potential areas for further investigation.

Utilizing Attention-Enhanced Deep Neural Networks for Large-Scale Preliminary Diabetes Screening in Population Health Data

Early screening for diabetes can promptly identify potential early stage patients, possibly delaying complications and reducing mortality rates. This paper presents a novel technique for early diabetes screening and prediction, called the Attention-Enhanced Deep Neural Network (AEDNN). The proposed AEDNN model incorporates an Attention-based Feature Weighting Layer combined with deep neural network layers to achieve precise diabetes prediction. In this study, we utilized the Diabetes-NHANES dataset and the Pima Indians Diabetes dataset. To handle significant missing values and outliers, group median imputation was applied. Oversampling techniques were used to balance the diabetes and non-diabetes groups. The data were processed through an Attention-based Feature Weighting Layer for feature extraction, producing a feature matrix. This matrix was subjected to Hadamard product operations with the raw data to obtain weighted data, which were subsequently input into deep neural network layers for training. The parameters were fine-tuned and the L2 regularization and dropout layers were added to enhance the generalization performance of the model. The model’s reliability was thoroughly assessed through various metrics, including the accuracy, precision, recall, F1 score, mean squared error (MSE), and R2 score, as well as the ROC and AUC curves. The proposed model achieved a prediction accuracy of 98.4% in the Pima Indians Diabetes dataset. When the test dataset was expanded to the large-scale Diabetes-NHANES dataset, which contains 52,390 samples, the test precision of the model improved further to 99.82%, with an AUC of 0.9995. A comparative analysis was conducted using multiple models, including logistic regression with L1 regularization, support vector machine (SVM), random forest, K-nearest neighbors (KNNs), AdaBoost, XGBoost, and the latest semi-supervised XGBoost. The feature extraction method using attention mechanisms was compared with the classical feature selection methods, Lasso and Ridge. The experiments were performed on the same dataset, and the conclusion was that the Attention-based Ensemble Deep Neural Network (AEDNN) outperformed all the aforementioned methods. These results indicate that the model not only performs well on smaller datasets but also fully leverages its advantages on larger datasets, demonstrating strong generalization ability and robustness. The proposed model can effectively assist clinicians in the early screening of diabetes patients. This is particularly beneficial for the preliminary screening of high-risk individuals in large-scale, extensive healthcare datasets, followed by detailed examination and diagnosis. Compared to the existing methods, our AEDNN model showed an overall performance improvement of 1.75%.

Precision Agriculture using ML for Soil and Weather Prediction

Agriculture is the backbone of many economies and plays a critical role in global food security. However, with growing challenges posed by climate change, erratic weather patterns, and soil degradation, the need for precise and predictive techniques in agriculture has never been more urgent. This paper focuses on the application of machine learning (ML) techniques in soil fertility prediction and weather forecasting, two critical components that can significantly impact agricultural productivity. By analysing soil properties, such as moisture, pH, and nutrient levels, and combining them with accurate weather predictions, our system aims to help farmers make informed decisions regarding crop selection, irrigation scheduling, and pest control. Leveraging algorithms like Naive Bayes for soil classification and Long Short-Term Memory (LSTM) networks for weather prediction, we provide a comprehensive solution for precision agriculture. This system not only enhances productivity but also promotes sustainable agricultural practices by optimizing resource use and reducing wastage

Uncertainty Qualification for Deep Learning-Based Elementary Reaction Property Prediction.

The prediction of the thermodynamic and kinetic properties of elementary reactions has shown rapid improvement due to the implementation of deep learning (DL) methods. While various studies have reported the success in predicting reaction properties, the quantification of prediction uncertainty has seldom been investigated, thus compromising the confidence in using these predicted properties in practical applications. Here, we integrated graph convolutional neural networks (GCNN) with three uncertainty prediction techniques, including deep ensemble, Monte Carlo (MC)-dropout, and evidential learning, to provide insights into the uncertainty quantification and utility. The deep ensemble model outperforms others in accuracy and shows the highest reliability in estimating prediction uncertainty across all elementary reaction property data sets. We also verified that the deep ensemble model showed a satisfactory capability in recognizing epistemic and aleatoric uncertainties. Additionally, we adopted a Monte Carlo Tree Search method for extracting the explainable reaction substructures, providing a chemical explanation for DL predicted properties and corresponding uncertainties. Finally, to demonstrate the utility of uncertainty qualification in practical applications, we performed an uncertainty-guided calibration of the DL-constructed kinetic model, which achieved a 25% higher hit ratio in identifying dominant reaction pathways compared to that of the calibration without uncertainty guidance.

Synergism of Computational Simulation Technique and Machine Learning Algorithm for Prediction of Anticorrosion Properties of Some Antipyrine Derivatives.

This study aimed to predict the selected antipyrine compounds' inhibitory efficiencies and anticorrosion properties in a hydrochloric acid (HCl) environment. Molecular descriptors and input variables were obtained using density functional theory (DFT), and the variance inflation factor (VIF) was employed to reduce redundant variables, leading to the selection of seven quantum chemical descriptors as input variables. Using machine learning techniques such as K-nearest neighbor (KNN) and artificial neural network (ANN), a predictive model was built for 39 antipyrine compounds with known corrosion inhibition efficiencies for carbon and low alloy steel in hydrochloric acid solutions. The models' predictive capability was assessed using cross-validation, with the ANN model showing superior performance, achieving a coefficient of determination (R2) value of 0.715 compared to 0.548 for the KNN model. Performance metrics such as the mean square error (MSE), mean absolute error (MAE), and root-mean-square error (RMSE) further confirmed the superiority of the ANN model over the KNN model. The corrosion inhibition efficiencies (CIEs) of the selected antipyrine compounds ranged from 68.78 to 99.79%, with compound A1 demonstrating the highest CIE of 99.79% and compound A3 the lowest, as evaluated by the ANN model. Analysis of Fukui index parameters obtained from the Mulliken population analysis suggested that the nucleophilic and electrophilic sites play a crucial role in the interactions between the inhibitor and the metal atom through electron donor-acceptor interactions. Moreover, the energy of adsorption (Eads) in kcal·mol-1 decreased in the order of A1 (-187.8) > A2 (-132.0) > A2 (-84.4), with the high negative value of Eads indicating strong and spontaneous adsorption. Further analysis using radial distribution functions and molecular dynamics simulations revealed that inhibitor A1 exhibited predominantly chemisorption, inhibitor A2 showed a mixed type, and inhibitor A3 demonstrated predominantly physisorption, aligning well with the results of the predictive studies.