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In recent years, the use of neural network models for solving aerodynamics problems has become widespread. These models, trained on a set of previously obtained solutions, predict solutions to new problems. They are, in essence, interpolation algorithms. An alternative approach is to construct a neural network operator. This is a neural network that reproduces a numerical method used to solve a problem. It allows to find the solution in iterations. The paper considers the construction of such an operator using the UNet neural network with a spatial attention mechanism. It solves flow problems on a rectangular uniform grid that is common to a streamlined body and flow field. A correction mechanism is proposed to clarify the obtained solution. The problem of the stability of such an algorithm for solving a stationary problem is analyzed, and a comparison is made with other variants of its construction, including pushforward trick and positional encoding. The issue of selecting a set of iterations for forming a train dataset is considered, and the behavior of the solution is assessed using repeated use of a neural network operator.

A demonstration of the method is provided for the case of flow around a rounded plate with a turbulent flow, with various options for rounding, for fixed parameters of the incoming flow, with Reynolds number $\text{Re} = 10^5$ and Mach number $M = 0.15$. Since flows with these parameters of the incoming flow can be considered incompressible, only velocity components are directly studied. At the same time, the neural network model used to construct the operator has a common decoder for both velocity components. Comparison of flow fields and velocity profiles along the normal and outline of the body, obtained using a neural network operator and numerical methods, is carried out. Analysis is performed both on the plate and rounding. Simulation results confirm that the neural network operator allows finding a solution with high accuracy and stability.

Recently, saddle point problems have received much attention due to their powerful modeling capability for a lot of problems from diverse domains. Applications of these problems occur in many applied areas, such as robust optimization, distributed optimization, game theory, and many applications in machine learning such as empirical risk minimization and generative adversarial networks training. Therefore, many researchers have actively worked on developing numerical methods for solving saddle point problems in many different settings. This paper is devoted to developing a numerical method for solving saddle point problems in the nonconvex uniformly-concave setting. We study a general class of saddle point problems with composite structure and H\"older-continuous higher-order derivatives. To solve the problem under consideration, we propose an approach in which we reduce the problem to a combination of two auxiliary optimization problems separately for each group of variables, the outer minimization problem w.r.t. primal variables, and the inner maximization problem w.r.t the dual variables. For solving the outer minimization problem, we use the Adaptive Gradient Method, which is applicable for nonconvex problems and also works with an inexact oracle that is generated by approximately solving the inner problem. For solving the inner maximization problem, we use the Restarted Unified Acceleration Framework, which is a framework that unifies the high-order acceleration methods for minimizing a convex function that has H\"older-continuous higher-order derivatives. Separate complexity bounds are provided for the number of calls to the first-order oracles for the outer minimization problem and higher-order oracles for the inner maximization problem. Moreover, the complexity of the whole proposed approach is then estimated.

The article presents updated technologies for solving two classes of linear resource allocation problems with dynamically changing characteristics of situational management systems and awareness of experts (and/or trained robots). The search for solutions is carried out in an interactive mode of computational experiment using updatable knowledge systems about problems considered as constructive objects (in accordance with the methodology of formalization of knowledge about programmable problems created in the theory of S-symbols). The technologies are focused on implementation in the form of Internet services. The first class includes resource allocation problems solved by the method of targeted solution movement. The second is the problems of allocating a single resource in hierarchical systems, taking into account the priorities of expense items, which can be solved (depending on the specified mandatory and orienting requirements for the solution) either by the interval method of allocation (with input data and result represented by numerical segments), or by the targeted solution movement method. The problem statements are determined by requirements for solutions and specifications of their applicability, which are set by an expert based on the results of the portraits of the target and achieved situations analysis. Unlike well-known methods for solving resource allocation problems as linear programming problems, the method of targeted solution movement is insensitive to small data changes and allows to find feasible solutions when the constraint system is incompatible. In single-resource allocation technologies, the segmented representation of data and results allows a more adequate (compared to a point representation) reflection of the state of system resource space and increases the practical applicability of solutions. The technologies discussed in the article are programmatically implemented and used to solve the problems of resource basement for decisions, budget design taking into account the priorities of expense items, etc. The technology of allocating a single resource is implemented in the form of an existing online cost planning service. The methodological consistency of the technologies is confirmed by the results of comparison with known technologies for solving the problems under consideration.

The article presents an approach to configuration of an artificial neural network architecture and a training set size. Configuration is based on parameter minimization with constraints specifying neural network model quality criteria. The algorithm of artificial neural network architecture and training set size configuration is applied to dynamic object artificial neural network approximation.
Series of computational experiments were performed. The method is applicable to construction of dynamic object models based on non-linear autocorrelation neural networks.

We investigate machine learning methods with a certain kind of decision rule. In particular, inverse-distance method of interpolation, method of interpolation by radial basis functions, the method of multidimensional interpolation and approximation, based on the theory of random functions, the last method of interpolation is kriging. This paper shows a method of rapid retraining “model” when adding new data to the existing ones. The term “model” means interpolating or approximating function constructed from the training data. This approach reduces the computational complexity of constructing an updated “model” from $O(n^3)$ to $O(n^2)$. We also investigate the possibility of a rapid assessment of generalizing opportunities “model” on the training set using the method of cross-validation leave-one-out cross-validation, eliminating the major drawback of this approach — the necessity to build a new “model” for each element which is removed from the training set.

Correct modeling of complex dynamics of urban transportation flows requires the collection of large volumes of empirical data to specify types of the modes and their identification. At the same time, setting a large number of observation posts is expensive and technically not always feasible. All this results in insufficient factographic support for the traffic control systems as well as for urban planners with the obvious consequences for the quality of their decisions. As one of the means to provide large-scale data collection at least for the qualitative situation analysis, the wide-area video cameras are used in different situation centers. There they are analyzed by human operators who are responsible for observation and control. Some video cameras provided their videos for common access, which makes them a valuable resource for transportation studies. However, there are significant problems with getting qualitative data from such cameras, which relate to the theory and practice of image processing. This study is devoted to the practical application of certain mainstream neuro-networking technologies for the estimation of essential characteristics of actual transportation flows. The problems arising in processing these data are analyzed, and their solutions are suggested. The convolution neural networks are used for tracking, and the methods for obtaining basic parameters of transportation flows from these observations are studied. The simplified neural networks are used for the preparation of training sets for the deep learning neural network YOLOv4 which is later used for the estimation of speed and density of automobile flows.

The key problems of remote forest pathology monitoring for coniferous forests affected by insect pests have been analyzed. It has been demonstrated that addressing these tasks requires the use of multiclass classification results for coniferous trees in high- and ultra-high-resolution images, which are promptly obtained through monitoring via satellites or unmanned aerial vehicles (UAVs). An analytical review of modern models and methods for multiclass classification of coniferous forest images was conducted, leading to the development of three fully convolutional neural network models: Mo-U-Net, At-Mo-U-Net, and Res-Mo-U-Net, all based on the classical U-Net architecture. Additionally, the Segformer transformer model was modified to suit the task. For RGB images of fir trees Abies sibirica affected by the four-eyed bark beetle Polygraphus proximus, captured using a UAV-mounted camera, two datasets were created: the first dataset contains image fragments and their corresponding reference segmentation masks sized 256 × 256 × 3 pixels, while the second dataset contains fragments sized 480 × 480 × 3 pixels. Comprehensive studies were conducted on each trained neural network model to evaluate both classification accuracy for assessing the degree of damage (health status) of Abies sibirica trees and computation speed using test datasets from each set. The results revealed that for fragments sized 256 × 256 × 3 pixels, the At-Mo-U-Net model with an attention mechanism is preferred alongside the Modified Segformer model. For fragments sized 480 × 480 × 3 pixels, the Res-Mo-U-Net hybrid model with residual blocks demonstrated superior performance. Based on classification accuracy and computation speed results for each developed model, it was concluded that, for production-scale multiclass classification of affected fir trees, the Res-Mo-U-Net model is the most suitable choice. This model strikes a balance between high classification accuracy and fast computation speed, meeting conflicting requirements effectively.

The practical application of nuclear medicine demonstrates the continued information deficiency of the algorithms and programs that provide visualization and analysis of medical images. The aim of the study was to determine the principles of optimizing the processing of planar osteostsintigraphy on the basis of сomputer aided diagnosis (CAD) for analysis of texture descriptions of images of metastatic zones on planar scintigrams of skeleton. A computer-aided diagnosis system for analysis of skeletal metastases based on planar scintigraphy data has been developed. This system includes skeleton image segmentation, calculation of textural, histogram and morphometrical parameters and the creation of a training set. For study of metastatic images’ textural characteristics on planar scintigrams of skeleton was developed the computer program of automatic analysis of skeletal metastases is used from data of planar scintigraphy. Also expert evaluation was used to distinguishing ‘pathological’ (metastatic) from ‘physiological’ (non-metastatic) radiopharmaceutical hyperfixation zones in which Haralick’s textural features were determined: autocorrelation, contrast, ‘forth moment’ and heterogeneity. This program was established on the principles of сomputer aided diagnosis researches planar scintigrams of skeletal patients with metastatic breast cancer hearths hyperfixation of radiopharmaceuticals were identified. Calculated parameters were made such as brightness, smoothness, the third moment of brightness, brightness uniformity, entropy brightness. It has been established that in most areas of the skeleton of histogram values of parameters in pathologic hyperfixation of radiopharmaceuticals predominate over the same values in the physiological. Most often pathological hyperfixation of radiopharmaceuticals as the front and rear fixed scintigramms prevalence of brightness and smoothness of the image brightness in comparison with those of the physiological hyperfixation of radiopharmaceuticals. Separate figures histogram analysis can be used in specifying the diagnosis of metastases in the mathematical modeling and interpretation bone scintigraphy. Separate figures histogram analysis can be used in specifying the diagnosis of metastases in the mathematical modeling and interpretation bone scintigraphy.

Inhibitors of histone deacetylases (HDACi) have considered as a promising class of drugs for the treatment of cancers because of their effects on cell growth, differentiation, and apoptosis. Angiogenesis play an important role in the growth of most solid tumors and the progression of metastasis. The vascular endothelial growth factor (VEGF) is a key angiogenic agent, which is secreted by malignant tumors, which induces the proliferation and the migration of vascular endothelial cells. Currently, the most promising strategy in the fight against cancer is the creation of hybrid drugs that simultaneously act on several physiological targets. In this work, a series of hybrids bearing N-phenylquinazolin-4-amine and hydroxamic acid moieties were studied as dual VEGFR-2/HDAC inhibitors using simplex representation of the molecular structure and Support Vector Machine (SVM). The total sample of 42 compounds was divided into training and test sets. Five-fold cross-validation (5-fold) was used for internal validation. Satisfactory quantitative structure—activity relationship (QSAR) models were constructed (R²_test = 0.64–0.87) for inhibitors of HDAC, VEGFR-2 and human breast cancer cell line MCF-7. The interpretation of the obtained QSAR models was carried out. The coordinated effect of different molecular fragments on the increase of antitumor activity of the studied compounds was estimated. Among the substituents of the N-phenyl fragment, the positive contribution of para bromine for all three types of activity can be distinguished. The results of the interpretation were used for molecular design of potential dual VEGFR-2/HDAC inhibitors. For comparative QSAR research we used physicochemical descriptors calculated by the program HYBOT, the method of Random Forest (RF), and on-line version of the expert system OCHEM (https://ochem.eu). In the modeling of OCHEM PyDescriptor descriptors and extreme gradient boosting was chosen. In addition, the models obtained with the help of the expert system OCHEM were used for virtual screening of 300 compounds to select promising VEGFR-2/HDAC inhibitors for further synthesis and testing.