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Computational algorithm for solving the nonlinear boundary-value problem of hydrogen permeability with dynamic boundary conditions and concentration-dependent diffusion coefficient
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1179-1193The article deals with the nonlinear boundary-value problem of hydrogen permeability corresponding to the following experiment. A membrane made of the target structural material heated to a sufficiently high temperature serves as the partition in the vacuum chamber. Degassing is performed in advance. A constant pressure of gaseous (molecular) hydrogen is built up at the inlet side. The penetrating flux is determined by mass-spectrometry in the vacuum maintained at the outlet side.
A linear model of dependence on concentration is adopted for the coefficient of dissolved atomic hydrogen diffusion in the bulk. The temperature dependence conforms to the Arrhenius law. The surface processes of dissolution and sorptiondesorption are taken into account in the form of nonlinear dynamic boundary conditions (differential equations for the dynamics of surface concentrations of atomic hydrogen). The characteristic mathematical feature of the boundary-value problem is that concentration time derivatives are included both in the diffusion equation and in the boundary conditions with quadratic nonlinearity. In terms of the general theory of functional differential equations, this leads to the so-called neutral type equations and requires a more complex mathematical apparatus. An iterative computational algorithm of second-(higher- )order accuracy is suggested for solving the corresponding nonlinear boundary-value problem based on explicit-implicit difference schemes. To avoid solving the nonlinear system of equations at every time step, we apply the explicit component of difference scheme to slower sub-processes.
The results of numerical modeling are presented to confirm the fitness of the model to experimental data. The degrees of impact of variations in hydrogen permeability parameters (“derivatives”) on the penetrating flux and the concentration distribution of H atoms through the sample thickness are determined. This knowledge is important, in particular, when designing protective structures against hydrogen embrittlement or membrane technologies for producing high-purity hydrogen. The computational algorithm enables using the model in the analysis of extreme regimes for structural materials (pressure drops, high temperatures, unsteady heating), identifying the limiting factors under specific operating conditions, and saving on costly experiments (especially in deuterium-tritium investigations).
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Classifier size optimisation in segmentation of three-dimensional point images of wood vegetation
Computer Research and Modeling, 2025, v. 17, no. 4, pp. 665-675The advent of laser scanning technologies has revolutionized forestry. Their use made it possible to switch from studying woodlands using manual measurements to computer analysis of stereo point images called point clouds.
Automatic calculation of some tree parameters (such as trunk diameter) using a point cloud requires the removal of foliage points. To perform this operation, a preliminary segmentation of the stereo image into the “foliage” and “trunk” classes is required. The solution to this problem often involves the use of machine learning methods.
One of the most popular classifiers used for segmentation of stereo images of trees is a random forest. This classifier is quite demanding on the amount of memory. At the same time, the size of the machine learning model can be critical if it needs to be sent by wire, which is required, for example, when performing distributed learning. In this paper, the goal is to find a classifier that would be less demanding in terms of memory, but at the same time would have comparable segmentation accuracy. The search is performed among classifiers such as logistic regression, naive Bayes classifier, and decision tree. In addition, a method for segmentation refinement performed by a decision tree using logistic regression is being investigated.
The experiments were conducted on data from the collection of the University of Heidelberg. The collection contains hand-marked stereo images of trees of various species, both coniferous and deciduous, typical of the forests of Central Europe.
It has been shown that classification using a decision tree, adjusted using logistic regression, is able to produce a result that is only slightly inferior to the result of a random forest in accuracy, while spending less time and RAM. The difference in balanced accuracy is no more than one percent on all the clouds considered, while the total size and inference time of the decision tree and logistic regression classifiers is an order of magnitude smaller than of the random forest classifier.
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Research on the achievability of a goal in a medical quest
Computer Research and Modeling, 2025, v. 17, no. 6, pp. 1149-1179The work presents an experimental study of the tree structure that occurs during a medical examination. At each meeting with a medical specialist, the patient receives a certain number of areas for consulting other specialists or for tests. A tree of directions arises, each branch of which the patient should pass. Depending on the branching of the tree, it can be as final — and in this case the examination can be completed — and endless when the patient’s goal cannot be achieved. In the work both experimentally and theoretically studied the critical properties of the transition of the system from the forest of the final trees to the forest endless, depending on the probabilistic characteristics of the tree.
For the description, a model is proposed in which a discrete function of the probability of the number of branches on the node repeats the dynamics of a continuous gaussian distribution. The characteristics of the distribution of the Gauss (mathematical expectation of $x_0$, the average quadratic deviation of $\sigma$) are model parameters. In the selected setting, the task refers to the problems of branching random processes (BRP) in the heterogeneous model of Galton – Watson.
Experimental study is carried out by numerical modeling on the final grilles. A phase diagram was built, the boundaries of areas of various phases are determined. A comparison was made with the phase diagram obtained from theoretical criteria for macrosystems, and an adequate correspondence was established. It is shown that on the final grilles the transition is blurry.
The description of the blurry phase transition was carried out using two approaches. In the first, standard approach, the transition is described using the so-called inclusion function, which makes the meaning of the share of one of the phases in the general set. It was established that such an approach in this system is ineffective, since the found position of the conditional boundary of the blurred transition is determined only by the size of the chosen experimental lattice and does not bear objective meaning.
The second, original approach is proposed, based on the introduction of an parameter of order equal to the reverse average tree height, and the analysis of its behavior. It was established that the dynamics of such an order parameter in the $\sigma = \text{const}$ section with very small differences has the type of distribution of Fermi – Dirac ($\sigma$ performs the same function as the temperature for the distribution of Fermi – Dirac, $x_0$ — energy function). An empirical expression has been selected for the order parameter, an analogue of the chemical potential is introduced and calculated, which makes sense of the characteristic scale of the order parameter — that is, the values of $x_0$, in which the order can be considered a disorder. This criterion is the basis for determining the boundary of the conditional transition in this approach. It was established that this boundary corresponds to the average height of a tree equal to two generations. Based on the found properties, recommendations for medical institutions are proposed to control the provision of limb of the path of patients.
The model discussed and its description using conditionally-infinite trees have applications to many hierarchical systems. These systems include: internet routing networks, bureaucratic networks, trade and logistics networks, citation networks, game strategies, population dynamics problems, and others.
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Using Docker service containers to build browser-based clinical decision support systems (CDSS)
Computer Research and Modeling, 2026, v. 18, no. 1, pp. 133-147The article presents a technology for building clinical decision support systems (CDSS) based on service containers using Docker and a web interface that runs directly in the browser without installing specialized software on workstation of a clinician. A modular architecture is proposed in which each application module is packaged as an independent service container combining a lightweight web server, a user interface, and computational components for medical image processing. Communication between the browser and the server side is implemented via a persistent bidirectional WebSocket connection with binary message serialization (MessagePack), which provides low latency and efficient transfer of large data. For local storage of images and analysis of results, browser facilities (IndexedDB with the Dexie.js wrapper) are used to speed up repeated data access. Three-dimensional visualization and basic operations with DICOM data are implemented with Three.js and AMI.js: this toolchain supports the integration of interactive elements arising from the task context (annotations, landmarks, markers, 3D models) into volumetric medical images.
Server components and functional modules are assembled as a set of interacting containers managed by Docker. The paper discusses the choice of base images, approaches to minimizing containers down to runtime-only executables without external utilities, and the organization of multi-stage builds with a dedicated build container. It describes a hub service that launches application containers on user request, performs request proxying, manages sessions, and switches a container from shared to exclusive mode at the start of computations. Examples of application modules are provided (fractional flow reserve estimation, quantitative flow ratio computation, aortic valve closure modeling), along with the integration of a React-based interface with a three-dimensional scene, a versioning policy, automated reproducibility checks, and the deployment procedure on the target platform.
It is demonstrated that containerization ensures portability and reproducibility of the software environment, dependency isolation and scalability, while the browser-based interface provides accessibility, reduced infrastructure requirements, and interactive real-time visualization of medical data. Technical limitations are noted (dependence on versions of visualization libraries and data formats) together with practical mitigation measures.
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The long-term empirical macro model of world dynamics
Computer Research and Modeling, 2013, v. 5, no. 5, pp. 883-891Views (last year): 4. Citations: 3 (RSCI).The work discusses the methodological basis and problems of modeling of world dynamics. Outlines approaches to the construction of a new simulation model of global development and the results of the simulation. The basis of the model building is laid empirical approach which based on the statistical analysis of the main socio-economic indicators. On the basis of this analysis identified the main variables. Dynamic equations (in continuous differential form) were written for these variables. Dependencies between variables were selected based on the dynamics of indicators in the past and on the basis of expert assessments, while econometric techniques were used, based on regression analysis. Calculations have been performed for the resulting dynamic equations system, the results are presented in the form of a trajectories beam for those indicators that are directly observable, and for which statistics are available. Thus, it is possible to assess the scatter of the trajectories and understand the predictive capability of this model.
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Exciton interaction of the chromophores — a tool to fine-tune the mechanism of non-photochemical quenching of phycobilisome in cyanobacteria
Computer Research and Modeling, 2015, v. 7, no. 1, pp. 125-144Views (last year): 2. Citations: 2 (RSCI).It was carried out a theoretical analysis of the energy migration rate in the process of non-photochemical quenching of fluorescence pigment-protein complex that performed by means of orange carotenoid-protein in the phycobilisomes of cyanobacteria. It is shown that the observed rate of energy transfer can not be interpreted in the framework of inductive-resonant mechanism of energy migration (Förster’s theory). On the contrary, according to the calculations the implementation of the exciton mechanism is fully consistent with the experimentally observed high quenching rate. An essential feature of the implementation of the exciton mechanism is to comply with a number of structural and functional conditions that require fine-tuning of the molecular system in the interaction of donor and acceptor molecules both each other and with the local molecular environment.
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Mathematical investigation of antiangiogenic monotherapy effect on heterogeneous tumor progression
Computer Research and Modeling, 2017, v. 9, no. 3, pp. 487-501Views (last year): 10. Citations: 2 (RSCI).In the last decade along with classical cytotoxic agents, antiangiogenic drugs have been actively used in cancer chemotherapy. They are not aimed at killing malignant cells, but at blocking the process of angiogenesis, i.e., the growth of new vessels in the tumor and its surrounding tissues. Agents that stimulate angiogenesis, in particular, vascular endothelial growth factor, are actively produced by tumor cells in the state of metabolic stress. It is believed that blocking of tumor neovascularization should lead to a shortage of nutrients flow to the tumor, and thus can stop, or at least significantly slow down its growth. Clinical practice on the use of first antiangiogenic drug bevacizumab has shown that in some cases such therapy does not influence the growth rate of the tumor, whereas for other types of malignant neoplasms antiangiogenic therapy has a high antitumor effect. However, it has been shown that along with successful slowing of tumor growth, therapy with bevacizumab can induce directed tumor progression to a more invasive, and therefore more lethal, type. These data require theoretical analysis and rationale for the evolutionary factors that lead to the observation of epithelial-mesenchymal transition. For this purpose we have developed a spatially distributed mathematical model of growth and antiangiogenic therapy of heterogeneous tumor consisting of two subpopulations of malignant cells. One of subpopulations possesses inherent characteristics of epithelial phenotype, i.e., low motility and high proliferation rate, the other one corresponds to mesenchymal phenotype having high motility and low proliferation rate. We have performed the investigation of competition between these subpopulations of heterogeneous tumor in the cases of tumor growth without therapy and under bevacizumab monotherapy. It is shown that constant use of antiangiogenic drug leads to an increase of the region in parameter space, where the dominance of mesenchymal phenotype takes place, i.e., within a certain range of parameters in the absence of therapy epithelial phenotype is dominant but during bevacizumab administration mesenchymal phenotype begins to dominate. This result provides a theoretical basis of the clinically observed directed tumor progression to more invasive type under antiangiogenic therapy.
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The analysis of images in control systems of unmanned automobiles on the base of energy features model
Computer Research and Modeling, 2018, v. 10, no. 3, pp. 369-376Views (last year): 31. Citations: 1 (RSCI).The article shows the relevance of research work in the field of creating control systems for unmanned vehicles based on computer vision technologies. Computer vision tools are used to solve a large number of different tasks, including to determine the location of the car, detect obstacles, determine a suitable parking space. These tasks are resource intensive and have to be performed in real time. Therefore, it is important to develop effective models, methods and tools that ensure the achievement of the required time and accuracy for use in unmanned vehicle control systems. In this case, the choice of the image representation model is important. In this paper, we consider a model based on the wavelet transform, which makes it possible to form features characterizing the energy estimates of the image points and reflecting their significance from the point of view of the contribution to the overall image energy. To form a model of energy characteristics, a procedure is performed based on taking into account the dependencies between the wavelet coefficients of various levels and the application of heuristic adjustment factors for strengthening or weakening the influence of boundary and interior points. On the basis of the proposed model, it is possible to construct descriptions of images their characteristic features for isolating and analyzing, including for isolating contours, regions, and singular points. The effectiveness of the proposed approach to image analysis is due to the fact that the objects in question, such as road signs, road markings or car numbers that need to be detected and identified, are characterized by the relevant features. In addition, the use of wavelet transforms allows to perform the same basic operations to solve a set of tasks in onboard unmanned vehicle systems, including for tasks of primary processing, segmentation, description, recognition and compression of images. The such unified approach application will allow to reduce the time for performing all procedures and to reduce the requirements for computing resources of the on-board system of an unmanned vehicle.
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Mathematical model of the biometric iris recognition system
Computer Research and Modeling, 2020, v. 12, no. 3, pp. 629-639Automatic recognition of personal identity by biometric features is based on unique peculiarities or characteristics of people. Biometric identification process consist in making of reference templates and comparison with new input data. Iris pattern recognition algorithms presents high accuracy and low identification errors percent on practice. Iris pattern advantages over other biometric features are determined by its high degree of freedom (nearly 249), excessive density of unique features and constancy. High recognition reliability level is very important because it provides search in big databases. Unlike one-to-one check mode that is applicable only to small calculation count it allows to work in one-to-many identification mode. Every biometric identification system appears to be probabilistic and qualitative characteristics description utilizes such parameters as: recognition accuracy, false acceptance rate and false rejection rate. These characteristics allows to compare identity recognition methods and asses the system performance under any circumstances. This article explains the mathematical model of iris pattern biometric identification and its characteristics. Besides, there are analyzed results of comparison of model and real recognition process. To make such analysis there was carried out the review of existing iris pattern recognition methods based on different unique features vector. The Python-based software package is described below. It builds-up probabilistic distributions and generates large test data sets. Such data sets can be also used to educate the identification decision making neural network. Furthermore, synergy algorithm of several iris pattern identification methods was suggested to increase qualitative characteristics of system in comparison with the use of each method separately.
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Numerical simulation of two-dimensional magnetic skyrmion structures
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1051-1061Magnetic systems, in which due to competition between the direct Heisenberg exchange and the Dzyaloshinskii –Moriya interaction, magnetic vortex structures — skyrmions appear, were studied using the Metropolis algorithm.
The conditions for the nucleation and stable existence of magnetic skyrmions in two-dimensional magnetic films in the frame of the classical Heisenberg model were considered in the article. A thermal stability of skyrmions in a magnetic film was studied. The processes of the formation of various states in the system at different values of external magnetic fields were considered, various phases into which the Heisenberg spin system passes were recognized. The authors identified seven phases: paramagnetic, spiral, labyrinth, spiralskyrmion, skyrmion, skyrmion-ferromagnetic and ferromagnetic phases, a detailed analysis of the configurations is given in the article.
Two phase diagrams were plotted: the first diagram shows the behavior of the system at a constant $D$ depending on the values of the external magnetic field and temperature $(T, B)$, the second one shows the change of the system configurations at a constant temperature $T$ depending on the magnitude of the Dzyaloshinskii – Moriya interaction and external magnetic field: $(D, B)$.
The data from these numerical experiments will be used in further studies to determine the model parameters of the system for the formation of a stable skyrmion state and to develop methods for controlling skyrmions in a magnetic film.
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