On Approximating the pIC50 Value of COVID-19 Medicines In Silico with Artificial Neural Networks.

In the case of pandemics such as COVID-19, the rapid development of medicines addressing the symptoms is necessary to alleviate the pressure on the medical system. One of the key steps in medicine evaluation is the determination of pIC50 factor, which is a negative logarithmic expression of the half maximal inhibitory concentration (IC50). Determining this value can be a lengthy and complicated process. A tool allowing for a quick approximation of pIC50 based on the molecular makeup of medicine could be valuable. In this paper, the creation of the artificial intelligence (AI)-based model is performed using a publicly available dataset of molecules and their pIC50 values. The modeling algorithms used are artificial and convolutional neural networks (ANN and CNN). Three approaches are tested-modeling using just molecular properties (MP), encoded SMILES representation of the molecule, and the combination of both input types. Models are evaluated using the coefficient of determination (R2) and mean absolute percentage error (MAPE) in a five-fold cross-validation scheme to assure the validity of the results. The obtained models show that the highest quality regression (R2¯=0.99, σR2¯=0.001; MAPE¯=0.009%, σMAPE¯=0.009), by a large margin, is obtained when using a hybrid neural network trained with both MP and SMILES.

Localization and Classification of Venusian Volcanoes Using Image Detection Algorithms.

Imaging is one of the main tools of modern astronomy-many images are collected each day, and they must be processed. Processing such a large amount of images can be complex, time-consuming, and may require advanced tools. One of the techniques that may be employed is artificial intelligence (AI)-based image detection and classification. In this paper, the research is focused on developing such a system for the problem of the Magellan dataset, which contains 134 satellite images of Venus's surface with individual volcanoes marked with circular labels. Volcanoes are classified into four classes depending on their features. In this paper, the authors apply the You-Only-Look-Once (YOLO) algorithm, which is based on a convolutional neural network (CNN). To apply this technique, the original labels are first converted into a suitable YOLO format. Then, due to the relatively small number of images in the dataset, deterministic augmentation techniques are applied. Hyperparameters of the YOLO network are tuned to achieve the best results, which are evaluated as mean average precision (mAP@0.5) for localization accuracy and F1 score for classification accuracy. The experimental results using cross-vallidation indicate that the proposed method achieved 0.835 mAP@0.5 and 0.826 F1 scores, respectively.

The Development of Symbolic Expressions for Fire Detection with Symbolic Classifier Using Sensor Fusion Data.

Fire is usually detected with fire detection systems that are used to sense one or more products resulting from the fire such as smoke, heat, infrared, ultraviolet light radiation, or gas. Smoke detectors are mostly used in residential areas while fire alarm systems (heat, smoke, flame, and fire gas detectors) are used in commercial, industrial and municipal areas. However, in addition to smoke, heat, infrared, ultraviolet light radiation, or gas, other parameters could indicate a fire, such as air temperature, air pressure, and humidity, among others. Collecting these parameters requires the development of a sensor fusion system. However, with such a system, it is necessary to develop a simple system based on artificial intelligence (AI) that will be able to detect fire with high accuracy using the information collected from the sensor fusion system. The novelty of this paper is to show the procedure of how a simple AI system can be created in form of symbolic expression obtained with a genetic programming symbolic classifier (GPSC) algorithm and can be used as an additional tool to detect fire with high classification accuracy. Since the investigation is based on an initially imbalanced and publicly available dataset (high number of samples classified as 1-Fire Alarm and small number of samples 0-No Fire Alarm), the idea is to implement various balancing methods such as random undersampling/oversampling, Near Miss-1, ADASYN, SMOTE, and Borderline SMOTE. The obtained balanced datasets were used in GPSC with random hyperparameter search combined with 5-fold cross-validation to obtain symbolic expressions that could detect fire with high classification accuracy. For this investigation, the random hyperparameter search method and 5-fold cross-validation had to be developed. Each obtained symbolic expression was evaluated on train and test datasets to obtain mean and standard deviation values of accuracy (ACC), area under the receiver operating characteristic curve (AUC), precision, recall, and F1-score. Based on the conducted investigation, the highest classification metric values were achieved in the case of the dataset balanced with SMOTE method. The obtained values of ACC¯±SD(ACC), AUC¯±SD(ACU), Precision¯±SD(Precision), Recall¯±SD(Recall), and F1-score¯±SD(F1-score) are equal to 0.998±4.79×10-5, 0.998±4.79×10-5, 0.999±5.32×10-5, 0.998±4.26×10-5, and 0.998±4.796×10-5, respectively. The symbolic expression using which best values of classification metrics were achieved is shown, and the final evaluation was performed on the original dataset.

Epidemiological Predictive Modeling of COVID-19 Infection: Development, Testing, and Implementation on the Population of the Benelux Union.

Since the outbreak of coronavirus disease-2019 (COVID-19), the whole world has taken interest in the mechanisms of its spread and development. Mathematical models have been valuable instruments for the study of the spread and control of infectious diseases. For that purpose, we propose a two-way approach in modeling COVID-19 spread: a susceptible, exposed, infected, recovered, deceased (SEIRD) model based on differential equations and a long short-term memory (LSTM) deep learning model. The SEIRD model is a compartmental epidemiological model with included components: susceptible, exposed, infected, recovered, deceased. In the case of the SEIRD model, official statistical data available online for countries of Belgium, Netherlands, and Luxembourg (Benelux) in the period of March 15 2020 to March 15 2021 were used. Based on them, we have calculated key parameters and forward them to the epidemiological model, which will predict the number of infected, deceased, and recovered people. Results show that the SEIRD model is able to accurately predict several peaks for all the three countries of interest, with very small root mean square error (RMSE), except for the mild cases (maximum RMSE was 240.79 ± 90.556), which can be explained by the fact that no official data were available for mild cases, but this number was derived from other statistics. On the other hand, LSTM represents a special kind of recurrent neural network structure that can comparatively learn long-term temporal dependencies. Results show that LSTM is capable of predicting several peaks based on the position of previous peaks with low values of RMSE. Higher values of RMSE are observed in the number of infected cases in Belgium (RMSE was 535.93) and Netherlands (RMSE was 434.28), and are expected because of thousands of people getting infected per day in those countries. In future studies, we will extend the models to include mobility information, variants of concern, as well as a medical intervention, etc. A prognostic model could help us predict epidemic peaks. In that way, we could react in a timely manner by introducing new or tightening existing measures before the health system is overloaded.

Semantic Segmentation of Urinary Bladder Cancer Masses from CT Images: A Transfer Learning Approach.

Urinary bladder cancer is one of the most common cancers of the urinary tract. This cancer is characterized by its high metastatic potential and recurrence rate. Due to the high metastatic potential and recurrence rate, correct and timely diagnosis is crucial for successful treatment and care. With the aim of increasing diagnosis accuracy, artificial intelligence algorithms are introduced to clinical decision making and diagnostics. One of the standard procedures for bladder cancer diagnosis is computer tomography (CT) scanning. In this research, a transfer learning approach to the semantic segmentation of urinary bladder cancer masses from CT images is presented. The initial data set is divided into three sub-sets according to image planes: frontal (4413 images), axial (4993 images), and sagittal (996 images). First, AlexNet is utilized for the design of a plane recognition system, and it achieved high classification and generalization performances with an AUCmicro¯ of 0.9999 and σ(AUCmicro) of 0.0006. Furthermore, by applying the transfer learning approach, significant improvements in both semantic segmentation and generalization performances were achieved. For the case of the frontal plane, the highest performances were achieved if pre-trained ResNet101 architecture was used as a backbone for U-net with DSC¯ up to 0.9587 and σ(DSC) of 0.0059. When U-net was used for the semantic segmentation of urinary bladder cancer masses from images in the axial plane, the best results were achieved if pre-trained ResNet50 was used as a backbone, with a DSC¯ up to 0.9372 and σ(DSC) of 0.0147. Finally, in the case of images in the sagittal plane, the highest results were achieved with VGG-16 as a backbone. In this case, DSC¯ values up to 0.9660 with a σ(DSC) of 0.0486 were achieved. From the listed results, the proposed semantic segmentation system worked with high performance both from the semantic segmentation and generalization standpoints. The presented results indicate that there is the possibility for the utilization of the semantic segmentation system in clinical practice.

Artificial intelligence approach towards assessment of condition of COVID-19 patients - Identification of predictive biomarkers associated with severity of clinical condition and disease progression.

BACKGROUND AND OBJECTIVES: Although ML has been studied for different epidemiological and clinical issues as well as for survival prediction of COVID-19, there is a noticeable shortage of literature dealing with ML usage in prediction of disease severity changes through the course of the disease. In that way, predicting disease progression from mild towards moderate, severe and critical condition, would help not only to respond in a timely manner to prevent lethal results, but also to minimize the number of patients in hospitals where this is not necessary. METHODS: We present a methodology for the classification of patients into 4 distinct categories of the clinical condition of COVID-19 disease. Classification of patients is based on the values of blood biomarkers that were assessed by Gradient boosting regressor and which were selected as biomarkers that have the greatest influence in the classification of patients with COVID-19. RESULTS: The results show that among several tested algorithms, XGBoost classifier achieved best results with an average accuracy of 94% and an average F1-score of 94.3%. We have also extracted 10 best features from blood analysis that are strongly associated with patient condition and based on those features we can predict the severity of the clinical condition. CONCLUSIONS: The main advantage of our system is that it is a decision tree-based algorithm which is easier to interpret, instead of the use of black box models, which are not appealing in medical practice.

Application of Artificial Intelligence-Based Regression Methods in the Problem of COVID-19 Spread Prediction: A Systematic Review.

COVID-19 is one of the greatest challenges humanity has faced recently, forcing a change in the daily lives of billions of people worldwide. Therefore, many efforts have been made by researchers across the globe in the attempt of determining the models of COVID-19 spread. The objectives of this review are to analyze some of the open-access datasets mostly used in research in the field of COVID-19 regression modeling as well as present current literature based on Artificial Intelligence (AI) methods for regression tasks, like disease spread. Moreover, we discuss the applicability of Machine Learning (ML) and Evolutionary Computing (EC) methods that have focused on regressing epidemiology curves of COVID-19, and provide an overview of the usefulness of existing models in specific areas. An electronic literature search of the various databases was conducted to develop a comprehensive review of the latest AI-based approaches for modeling the spread of COVID-19. Finally, a conclusion is drawn from the observation of reviewed papers that AI-based algorithms have a clear application in COVID-19 epidemiological spread modeling and may be a crucial tool in the combat against coming pandemics.

On Urinary Bladder Cancer Diagnosis: Utilization of Deep Convolutional Generative Adversarial Networks for Data Augmentation.

Urinary bladder cancer is one of the most common urinary tract cancers. Standard diagnosis procedure can be invasive and time-consuming. For these reasons, procedure called optical biopsy is introduced. This procedure allows in-vivo evaluation of bladder mucosa without the need for biopsy. Although less invasive and faster, accuracy is often lower. For this reason, machine learning (ML) algorithms are used to increase its accuracy. The issue with ML algorithms is their sensitivity to the amount of input data. In medicine, collection can be time-consuming due to a potentially low number of patients. For these reasons, data augmentation is performed, usually through a series of geometric variations of original images. While such images improve classification performance, the number of new data points and the insight they provide is limited. These issues are a motivation for the application of novel augmentation methods. Authors demonstrate the use of Deep Convolutional Generative Adversarial Networks (DCGAN) for the generation of images. Augmented datasets used for training of commonly used Convolutional Neural Network-based (CNN) architectures (AlexNet and VGG-16) show a significcan performance increase for AlexNet, where AUCmicro reaches values up to 0.99. Average and median results of networks used in grid-search increases. These results point towards the conclusion that GAN-based augmentation has decreased the networks sensitivity to hyperparemeter change.

Estimation of COVID-19 Epidemiology Curve of the United States Using Genetic Programming Algorithm.

Estimation of the epidemiology curve for the COVID-19 pandemic can be a very computationally challenging task. Thus far, there have been some implementations of artificial intelligence (AI) methods applied to develop epidemiology curve for a specific country. However, most applied AI methods generated models that are almost impossible to translate into a mathematical equation. In this paper, the AI method called genetic programming (GP) algorithm is utilized to develop a symbolic expression (mathematical equation) which can be used for the estimation of the epidemiology curve for the entire U.S. with high accuracy. The GP algorithm is utilized on the publicly available dataset that contains the number of confirmed, deceased and recovered patients for each U.S. state to obtain the symbolic expression for the estimation of the number of the aforementioned patient groups. The dataset consists of the latitude and longitude of the central location for each state and the number of patients in each of the goal groups for each day in the period of 22nd January 2020-3rd December 2020. The obtained symbolic expressions for each state are summed up to obtain symbolic expressions for estimation of each of the patient groups (confirmed, deceased and recovered). These symbolic expressions are combined to obtain the symbolic expression for the estimation of the epidemiology curve for the entire U.S. The obtained symbolic expressions for the estimation of the number of confirmed, deceased and recovered patients for each state achieved R2 score in the ranges 0.9406-0.9992, 0.9404-0.9998 and 0.9797-0.99955, respectively. These equations are summed up to formulate symbolic expressions for the estimation of the number of confirmed, deceased and recovered patients for the entire U.S. with achieved R2 score of 0.9992, 0.9997 and 0.9996, respectively. Using these symbolic expressions, the equation for the estimation of the epidemiology curve for the entire U.S. is formulated which achieved R2 score of 0.9933. Investigation showed that GP algorithm can produce symbolic expressions for the estimation of the number of confirmed, recovered and deceased patients as well as the epidemiology curve not only for the states but for the entire U.S. with very high accuracy.

Estimation of COVID-19 epidemic curves using genetic programming algorithm.

This paper investigates the possibility of the implementation of Genetic Programming (GP) algorithm on a publicly available COVID-19 data set, in order to obtain mathematical models which could be used for estimation of confirmed, deceased, and recovered cases and the estimation of epidemiology curve for specific countries, with a high number of cases, such as China, Italy, Spain, and USA and as well as on the global scale. The conducted investigation shows that the best mathematical models produced for estimating confirmed and deceased cases achieved R2 scores of 0.999, while the models developed for estimation of recovered cases achieved the R2 score of 0.998. The equations generated for confirmed, deceased, and recovered cases were combined in order to estimate the epidemiology curve of specific countries and on the global scale. The estimated epidemiology curve for each country obtained from these equations is almost identical to the real data contained within the data set.

Automatic Evaluation of the Lung Condition of COVID-19 Patients Using X-ray Images and Convolutional Neural Networks.

COVID-19 represents one of the greatest challenges in modern history. Its impact is most noticeable in the health care system, mostly due to the accelerated and increased influx of patients with a more severe clinical picture. These facts are increasing the pressure on health systems. For this reason, the aim is to automate the process of diagnosis and treatment. The research presented in this article conducted an examination of the possibility of classifying the clinical picture of a patient using X-ray images and convolutional neural networks. The research was conducted on the dataset of 185 images that consists of four classes. Due to a lower amount of images, a data augmentation procedure was performed. In order to define the CNN architecture with highest classification performances, multiple CNNs were designed. Results show that the best classification performances can be achieved if ResNet152 is used. This CNN has achieved AUCmacro¯ and AUCmicro¯ up to 0.94, suggesting the possibility of applying CNN to the classification of the clinical picture of COVID-19 patients using an X-ray image of the lungs. When higher layers are frozen during the training procedure, higher AUCmacro¯ and AUCmicro¯ values are achieved. If ResNet152 is utilized, AUCmacro¯ and AUCmicro¯ values up to 0.96 are achieved if all layers except the last 12 are frozen during the training procedure.

Modeling the Spread of COVID-19 Infection Using a Multilayer Perceptron.

Coronavirus (COVID-19) is a highly infectious disease that has captured the attention of the worldwide public. Modeling of such diseases can be extremely important in the prediction of their impact. While classic, statistical, modeling can provide satisfactory models, it can also fail to comprehend the intricacies contained within the data. In this paper, authors use a publicly available dataset, containing information on infected, recovered, and deceased patients in 406 locations over 51 days (22nd January 2020 to 12th March 2020). This dataset, intended to be a time-series dataset, is transformed into a regression dataset and used in training a multilayer perceptron (MLP) artificial neural network (ANN). The aim of training is to achieve a worldwide model of the maximal number of patients across all locations in each time unit. Hyperparameters of the MLP are varied using a grid search algorithm, with a total of 5376 hyperparameter combinations. Using those combinations, a total of 48384 ANNs are trained (16128 for each patient group-deceased, recovered, and infected), and each model is evaluated using the coefficient of determination (R2). Cross-validation is performed using K-fold algorithm with 5-folds. Best models achieved consists of 4 hidden layers with 4 neurons in each of those layers, and use a ReLU activation function, with R2 scores of 0.98599 for confirmed, 0.99429 for deceased, and 0.97941 for recovered patient models. When cross-validation is performed, these scores drop to 0.94 for confirmed, 0.781 for recovered, and 0.986 for deceased patient models, showing high robustness of the deceased patient model, good robustness for confirmed, and low robustness for recovered patient model.

Using multi-layer perceptron with Laplacian edge detector for bladder cancer diagnosis.

In this paper, the urinary bladder cancer diagnostic method which is based on Multi-Layer Perceptron and Laplacian edge detector is presented. The aim of this paper is to investigate the implementation possibility of a simpler method (Multi-Layer Perceptron) alongside commonly used methods, such as Deep Learning Convolutional Neural Networks, for the urinary bladder cancer detection. The dataset used for this research consisted of 1997 images of bladder cancer and 986 images of non-cancer tissue. The results of the conducted research showed that using Multi-Layer Perceptron trained and tested with images pre-processed with Laplacian edge detector are achieving AUC value up to 0.99. When different image sizes are compared it can be seen that the best results are achieved if 50×50 and 100×100 images were used.