Quantum algorithms for structured prediction

Coastal aquifers are vital for sustaining ecosystems and providing freshwater for agriculture and domestic use. However, rising groundwater salinity in these regions demands innovative approaches for accurate modeling and prediction. In recent decades, machine learning (ML) and deep learning (DL) techniques have been extensively used across various water resource management fields, often yielding promising outcomes. This review examines the growing usage of ML and DL techniques in modeling groundwater salinity in coastal aquifers. The analysis is based on 104 peer-reviewed journal articles including the review articles indexed in PubMed, ScienceDirect, Google Scholar, Scopus, and SpringerLink using keywords like "saltwater intrusion", "machine learning", “deep learning”, and "groundwater salinity". The review discusses recent advancements, challenges, and future directions for improving ML model accuracy and applicability. Studies reveal an increasing reliance on ML techniques to predict groundwater salinity and manage seawater intrusion across various coastal geological settings. Researchers have employed a range of ML models, from traditional methods like Artificial Neural Networks and Adaptive Neuro Fuzzy Inference Systems to advanced DL-based models like Convolutional Neural Networks and Long Short-Term Memory Networks, often using ensemble methods to enhance accuracy. Key findings include the top-tier output of ensemble and optimized models, including Random Forest and Grasshopper Optimization Algorithm-XGBoost. These studies highlight the importance of model selection, input variable ranking, and computational efficiency, demonstrating ML's global relevance in environmental management. The review highlights the prospects of ML, DL, and ensemble models to redefine groundwater management in coastal aquifers, offering more effective and sustainable solutions to the challenges posed by groundwater salinity and saltwater intrusion. Future advancements will focus on further integrating DL, explainable artificial intelligence, and ensemble approaches, along with other innovative techniques, to explore sparsely studied variables, model new or unique study areas, and apply ML methods for managing groundwater salinity.

Systematic literature review of machine learning based software development effort estimation models

Sensitivity evaluation of machine learning-based calibrated transportation mode choice models: A case study of Alexandria City, Egypt

A comprehensive review on detection of plant disease using machine learning and deep learning approaches

Summary A meticulous interpretation of steady-state or unsteady-state relative permeability (Kr) experimental data is required to determine a complete set of Kr curves. In this work, different machine learning (ML) models were developed to assist in a faster estimation of these curves from steady-state drainage coreflooding experimental runs. These ML algorithms include gradient boosting (GB), random forest (RF), extreme gradient boosting (XGB), and deep neural network (DNN) with a main focus on and comparison of the two latter algorithms (XGB and DNN). Based on existing mathematical models, a leading-edge framework was developed where a large database of Kr and capillary pressure (Pc) curves were generated. This database was used to perform thousands of coreflood simulation runs representing oil-water drainage steady-state experiments. The results obtained from these simulation runs, mainly pressure drop along with other conventional core analysis data, were used to estimate analytical Kr curves based on Darcy’s law. These analytically estimated Kr curves along with the previously generated Pc curves were fed as features into the ML model. The entire data set was split into 80% for training and 20% for testing. The k-fold cross-validation technique was applied to increase the model’s accuracy by splitting 80% of the training data into 10 folds. In this manner, for each of the 10 experiments, nine folds were used for training and the remaining fold was used for model validation. Once the model was trained and validated, it was subjected to blind testing on the remaining 20% of the data set. The ML model learns to capture fluid flow behavior inside the core from the training data set. In terms of applicability of these ML models, two sets of experimental data were needed as input; the first was the analytically estimated Kr curves from the steady-state drainage coreflooding experiments, while the other was the Pc curves estimated from centrifuge or mercury injection capillary pressure (MICP) measurements. The trained/tested model was then able to estimate Kr curves based on the experimental results fed as input. Furthermore, to test the performance of the ML model when only one set of experimental data is available to an end user, a recurrent neural network (RNN) algorithm was trained/tested to predict Kr curves in the absence of Pc curves as an input. The performance of the three developed models (XGB, DNN, and RNN) was assessed using the values of the coefficient of determination (R2) along with the loss calculated during training/validation of the model. The respective crossplots along with comparisons of ground truth vs. artificial intelligence (AI)-predicted curves indicated that the model is capable of making accurate predictions with an error percentage between 0.2% and 0.6% on history-matching experimental data for all three tested ML techniques. This implies that the AI-based model exhibits better efficiency and reliability in determining Kr curves when compared to conventional methods. The developed ML models by no means replace the need to conduct drainage coreflooding or centrifuge experiments but act as an alternative to existing commercial platforms that are used to interpret experimental data to predict Kr curves. The two main advantages of the developed ML models are their capability of predicting Kr curves within a matter of a few minutes as well as with limited intervention from the end user. The results also include a comparison between classical ML approaches, shallow neural networks, and DNNs in terms of accuracy in predicting the final Kr curves. The research presented here is an extension of the state-of-the-art framework proposed by Mathew et al. (2021). However, the two main aspects of the current study are the application of deep learning for the prediction of Kr curves and the application of feature engineering. The latter not only reduces the training/testing time for the ML models but also enables the end user to obtain the final predictions with the least set of experimental data. The various models discussed in this research work currently focus on the prediction of Kr curves for drainage steady-state experiments; however, the work can be extended to capture the imbibition cycle as well.

Techno-economic estimation of a non-cover box solar still with thermoelectric and antiseptic nanofluid using machine learning models

The multinomial logistic regression (MLR) model is widely used in statistics and machine learning. On the one hand, stochastic gradient descent (SGD) is the most common approach for determining the parameters of a such model in big data scenarios, due to its simplicity and low computational complexity property. Furthermore, SGD has proven convergence under reasonable conditions. However, SGD has slow sub-linear rates of convergence and it often reduces convergence speed due to the plateau phenomenon. On the other hand, stochastic natural gradient descent (SNGD), proposed by Amari, is a manifold optimization method shown to be Fisher efficient when it converges, but its convergence properties remain unproven and it is often computationally prohibitive for models with a large number of parameters. Here, we propose dual stochastic natural gradient descent (DSNGD), a stochastic optimization method for MLR based on manifold optimization concepts. In the discrete scenario, DSNGD (i) has linear per-iteration computational complexity in the number of parameters, and (ii) is proven to converge. To achieve (i) we leverage the dual flatness of the family of joint distributions for MLR to simplify computations. To ensure (ii) DSNGD builds on the foundational ideas of convergent stochastic natural gradient descent (CSNGD), a variant of SNGD with guaranteed convergence, using an independent sequence to construct a bounded approximation of the natural gradient. By generalizing a result from Sunehag et al., we prove that DSNGD converges in the discrete case and maintains linear computational complexity per iteration. Beyond its convergence property and linear computational complexity, DSNGD empirically demonstrates fast convergence comparable to SNGD, improves upon SGD performance, and exhibits stability where SNGD does not.

Biased outcomes in machine learning models can arise due to various factors, including limited training data, imbalanced class distribution, suboptimal training methodologies, and overfitting. In training neural networks with Stochastic Gradient Descent (SGD) and backpropagation, the choice of hyperparameters like learning rate and momentum is crucial to influencing the model’s performance. A comprehensive grid search study was conducted using static hyperparameters with standard SGD and dynamic hyperparameters with the Adam optimizer. The investigation focused on a multifaceted analysis across different tasks —- classification, segmentation, and detection — and was applied to four image-based applications: digit classification using the MNIST dataset, tuberculosis detection from chest X-ray images, lung segmentation in chest X-ray images, and the detection of malaria parasites in blood smear images. In the first comparative study on the MNIST dataset, the SGD algorithm consistently outperformed the Adam algorithm as noise levels increased. SGD held a slight advantage in accuracy over Adam in a noise-free environment. This advantage became more apparent as noise was introduced and increased to moderate levels. At high noise levels, both algorithms experienced a significant decline in performance, yet SGD maintained a relatively better accuracy compared to Adam. This trend underscored SGD’s superior ability to generalize across varying noise conditions. For TB detection in the second application, the DenseNet121 architecture was used, and it was found that Adam showed better performance on the larger TBX11K dataset. However, SGD outperformed Adam on a smaller subset of TBX11K. In the third comparative study for lung segmentation using COVID-19 and NLM datasets, SGD slightly outperformed Adam based on the mean and Hausdorff distances. In the case of malaria parasite detection using the YOLOv8 architecture, SGD and Adam optimizers showed varying performances across different conditions. Initially, both achieved high accuracies on the full dataset, with Adam slightly outperforming SGD. However, with decreasing dataset size, SGD maintained more consistent performance, while Adam’s accuracy fluctuated significantly. In noise tests, both showed equal accuracy on clean data, but under noise conditions, SGD maintained higher accuracies, suggesting better generalization capabilities. Further experiments assessed how well SGD and Adam could cope with domain shifts, mainly when using data from different countries. SGD’s generalization performance was superior to Adam’s performance in these experiments. In summary, although Adam is arguably the more popular of the two optimization techniques, SGD held its own in the experiments and showed superior performance when it came to generalization or classifying in noisy conditions.

Machine learning in computational docking.

Mechanical design is one of the essential disciplines in engineering applications, while inspirations of design ideas highly depend on the ability and prior knowledge of engineers or designers. With the rapid development of machine learning (ML) techniques, artificial intelligence (AI)‐based design methods are promising tools for the design of advanced engineering systems. So far, there have been some studies of 2D patterns and structural designs based on ML techniques. However, a particular challenge remains in allowing complex 3D mechanical designs using ML techniques. Herein, a novel and experience‐free method to equip ML models with 3D design capabilities by combining a convolutional neuron network (CNN) with a deep convolutional generative adversarial network (DCGAN) is developed. The model directly receives 2D image‐based training data that define the complex 3D structures of a specific machine part. After the training process, an infinite number of new 3D designs can be generated by the proposed model, with their geometric and mechanical properties being accurately predicted at the same time. Moreover, the generated new designs can be fed back to expand the original input datasets for further ML model training and updating.

Analysis of microwave sky signals, such as the cosmic microwave background, often requires component separation using multifrequency methods, whereby different signals are isolated according to their different frequency behaviors. Many so-called blind methods, such as the internal linear combination (ILC), make minimal assumptions about the spatial distribution of the signal or contaminants, and only assume knowledge of the frequency dependence of the signal. The ILC produces a minimum-variance linear combination of the measured frequency maps. In the case of Gaussian, statistically isotropic fields, this is the optimal linear combination, as the variance is the only statistic of interest. However, in many cases the signal we wish to isolate, or the foregrounds we wish to remove, are non-Gaussian and/or statistically anisotropic (in particular for the case of Galactic foregrounds). In such cases, it is possible that machine learning (ML) techniques can be used to exploit the non-Gaussian features of the foregrounds and thereby improve component separation. However, many ML techniques require the use of complex, difficult-to-interpret operations on the data. We propose a hybrid method whereby we train an ML model using only combinations of the data that , and combine the resulting ML-predicted foreground estimate with the ILC solution to reduce the error from the ILC. We demonstrate our methods on simulations of extragalactic temperature and Galactic polarization foregrounds and show that our ML model can exploit non-Gaussian features, such as point sources and spatially varying spectral indices, to produce lower-variance maps than ILC—e.g., reducing the variance of the B-mode residual by factors of up to 5—while preserving the signal of interest in an unbiased manner. Moreover, we often find improved performance even when applying our ML technique to foreground models on which it was not trained.

Machine learning (ML) techniques play a significant role in detecting abnormal link operations in wireless networks. However, during the design and development process of a ML-based model, numerous factors including input data transformation, scaling methods, choice of ML techniques and their associated parametrization, influence the final model performance. In this paper, we discuss the design and development process of wireless link anomaly detection models followed by the model ranking process for selecting the most suitable models given the required application criteria. Under this premise, we consider four different data representations, four anomaly types, six scaling methods and six distinct ML techniques along with their associated parametrization trials leading to over twenty thousand anomaly detection models for wireless links. We show that the most suitable supervised ML models are able to detect anomalies with an F1 score of at least 88% and up to perfect score, whereas unsupervised ML models can attain an F1 score of up to 96% depending on the anomaly type, and on average, amongst 20,352 available models, the supervised SVM model can be readily adopted to efficiently detect any type of anomaly with an F1 score of at least 94%, particularly when trained on encoded data representations using the combination of "mean and deviation scaling" and "non-linear RBF kernel".

BackgroundAugmented reality, computer vision and other (e.g. network functions, Internet-of-Things (IoT)) use cases can be realised in edge computing environments with machine learning (ML) techniques. For realisation of the use cases, it has to be understood how data is collected, stored, processed, analysed, and visualised in big data systems. In order to provide services with low latency for end users, often utilisation of ML techniques has to be optimized. Also, software/service developers have to understand, how to develop and deploy ML models in edge computing environments. Therefore, architecture design of big data systems to edge computing environments may be challenging.FindingsThe contribution of this paper is reference architecture (RA) design of a big data system utilising ML techniques in edge computing environments. An earlier version of the RA has been extended based on 16 realised implementation architectures, which have been developed to edge/distributed computing environments. Also, deployment of architectural elements in different environments is described. Finally, a system view is provided of the software engineering aspects of ML model development and deployment.ConclusionsThe presented RA may facilitate concrete architecture design of use cases in edge computing environments. The value of RAs is reduction of development and maintenance costs of systems, reduction of risks, and facilitation of communication between different stakeholders.

For the various climatic zones of India, machine learning (ML) models are created in the current work to forecast monthly-average diffuse solar radiation (DSR). The long-term solar radiation data are taken from Indian Meteorological Department (IMD), Pune, provided for 21 cities that span all of India’s climatic zones. The diffusion coefficient and diffuse fraction are the two groups of ML models with dual input parameters (sunshine ratio and clearness index) that are built and compared (each category has seven models). To create ML models, two well-known ML techniques, random forest (RF) and k-nearest neighbours (KNN), are used. The proposed ML models are compared with well-known models that are found in the literature. The ML models are ranked according to their overall and within predictive power using the Global Performance Indicator (GPI). It is discovered that KNN models generally outperform RF models. The results reveal that in diffusion coefficient models perform well than diffuse fraction models. Moreover, functional form 2 is the best followed by form 6. The ML models created here can be effectively used to accurately forecast DSR in various climates.

Machine learning (ML) models are cost-effective tools that can establish a prognosis by considering clinical, genomic, and histological data from breast cancer patients. In this study, we evaluate the performance of 12 ML models in predicting the overall survival of breast cancer patients from “The Cancer Genome Atlas-Breast Cancer” database at 60 months of follow-up. The models evaluated were Logistic Regression (LR), Ridge Classifier (RC), Least Absolute Shrinkage and Selection Operator (LASSO), K-Nearest Neighbors (KNN), Naive Bayes (NB), Linear Discriminant Analysis (LDA), Decision Tree (DT), Multilayer Perceptron (MP), Stochastic Gradient Descent (SGD), Support Vector Machine (SVM), Random Forest (RF), and XGBoost (XGB). The most accurate models were NB (86.76%) and SGD (85.29%). The models with the highest sensitivity were SGD (93.75%), MP (91.67%), and NB (89.89%), while the models with the highest specificity were KNN (95.0%), DT (90.0%), and LASSO (85.0%). The models with the highest area under the ROC curve were LDA (90.83%), LASSO (90.1%), and LR (89.79%). The most relevant variables were “Previous Diagnosis of Cancer,” “Presence of Tumor,” “Ancillary Therapy,” and “Histology.” Our findings demonstrate that AI tools for predicting patient outcomes are a viable option when expensive prognostic genomic tools are not available. According to our results, NB and LASSO show promising performance in predicting the prognosis of breast cancer patients. Further studies with data from developing countries are needed to improve the performance of these tools.