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Mathematical features of individual dosimetric planning of radioiodotherapy based on pharmacokinetic modeling
Computer Research and Modeling, 2024, v. 16, no. 3, pp. 773-784When determining therapeutic absorbed doses in the process of radioiodine therapy, the method of individual dosimetric planning is increasingly used in Russian medicine. However, for the successful implementation of this method, it is necessary to have appropriate software that allows modeling the pharmacokinetics of radioiodine in the patient’s body and calculate the necessary therapeutic activity of a radiopharmaceutical drug to achieve the planned therapeutic absorbed dose in the thyroid gland.
Purpose of the work: development of a software package for pharmacokinetic modeling and calculation of individual absorbed doses in radioiodine therapy based on a five-chamber model of radioiodine kinetics using two mathematical optimization methods. The work is based on the principles and methods of RFLP pharmacokinetics (chamber modeling). To find the minimum of the residual functional in identifying the values of the transport constants of the model, the Hook – Jeeves method and the simulated annealing method were used. Calculation of dosimetric characteristics and administered therapeutic activity is based on the method of calculating absorbed doses using the functions of radioiodine activity in the chambers found during modeling. To identify the parameters of the model, the results of radiometry of the thyroid gland and urine of patients with radioiodine introduced into the body were used.
A software package for modeling the kinetics of radioiodine during its oral intake has been developed. For patients with diffuse toxic goiter, the transport constants of the model were identified and individual pharmacokinetic and dosimetric characteristics (elimination half-lives, maximum thyroid activity and time to reach it, absorbed doses to critical organs and tissues, administered therapeutic activity) were calculated. The activity-time relationships for all cameras in the model are obtained and analyzed. A comparative analysis of the calculated pharmacokinetic and dosimetric characteristics calculated using two mathematical optimization methods was performed. Evaluation completed the stunning-effect and its contribution to the errors in calculating absorbed doses. From a comparative analysis of the pharmacokinetic and dosimetric characteristics calculated in the framework of two optimization methods, it follows that the use of a more complex mathematical method for simulating annealing in a software package does not lead to significant changes in the values of the characteristics compared to the simple Hook – Jeeves method. Errors in calculating absorbed doses in the framework of these mathematical optimization methods do not exceed the spread of absorbed dose values from the stunning-effect.
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Analysis of the rate of electron transport through photosynthetic cytochrome $b_6 f$ complex
Computer Research and Modeling, 2024, v. 16, no. 4, pp. 997-1022We consider an approach based on linear algebra methods to analyze the rate of electron transport through the cytochrome $b_6 f$ complex. In the proposed approach, the dependence of the quasi-stationary electron flux through the complex on the degree of reduction of pools of mobile electron carriers is considered a response function characterizing this process. We have developed software in the Python programming language that allows us to construct the master equation for the complex according to the scheme of elementary reactions and calculate quasi-stationary electron transport rates through the complex and the dynamics of their changes during the transition process. The calculations are performed in multithreaded mode, which makes it possible to efficiently use the resources of modern computing systems and to obtain data on the functioning of the complex in a wide range of parameters in a relatively short time. The proposed approach can be easily adapted for the analysis of electron transport in other components of the photosynthetic and respiratory electron-transport chain, as well as other processes in multienzyme complexes containing several reaction centers. Cryo-electron microscopy and redox titration data were used to parameterize the model of cytochrome $b_6 f$ complex. We obtained dependences of the quasi-stationary rate of plastocyanin reduction and plastoquinone oxidation on the degree of reduction of pools of mobile electron carriers and analyzed the dynamics of rate changes in response to changes in the redox state of the plastoquinone pool. The modeling results are in good agreement with the available experimental data.
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Reinforcement learning-based adaptive traffic signal control invariant to traffic signal configuration
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1253-1269In this paper, we propose an adaptive traffic signal control method invariant to the configuration of the traffic signal. The proposed method uses one neural network model to control traffic signals of various configurations, differing both in the number of controlled lanes and in the used traffic light control cycle (set of phases). To describe the state space, both dynamic information about the current state of the traffic flow and static data about the configuration of a controlled intersection are used. To increase the speed of model training and reduce the required amount of data required for model convergence, it is proposed to use an “expert” who provides additional data for model training. As an expert, we propose to use an adaptive control method based on maximizing the weighted flow of vehicles through an intersection. Experimental studies of the effectiveness of the developed method were carried out in a microscopic simulation software package. The obtained results confirmed the effectiveness of the proposed method in different simulation scenarios. The possibility of using the developed method in a simulation scenario that is not used in the training process was shown. We provide a comparison of the proposed method with other baseline solutions, including the method used as an “expert”. In most scenarios, the developed method showed the best results by average travel time and average waiting time criteria. The advantage over the method used as an expert, depending on the scenario under study, ranged from 2% to 12% according to the criterion of average vehicle waiting time and from 1% to 7% according to the criterion of average travel time.
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Modeling the impact of sanctions and import substitution on market performance
Computer Research and Modeling, 2025, v. 17, no. 2, pp. 365-380The article considers an approach to modeling the impact of sanctions and import substitution on the performance of high-tech product markets based on the use of control theory methods (operational calculus, z-transform). The model under consideration assumes that an equipment manufacturer supplies unique high-tech equipment to a high-tech product (HP) manufacturer that dominates the equipment consumer market. The HP manufacturer, fearing disruption of equipment supplies due to the introduction of all kinds of restrictions and sanctions, invests in the development of import-substituting equipment production in a third company, which can also find application in the external market, at the expense of deductions from its profits. The influence of the following factors and actions on the performance of the conditional market is analyzed: 1) the degree of inertia of the development and production development processes in the company; 2) the share of equipment of the import-substituting company supplied to the HP manufacturer; 3) sanctions (general and selective) on the supply of equipment to the company-manufacturer of the import substitution, as well as blocking the import substitution process in the third company by the first company.
The calculations show that the acceleration of the equipment development and production processes leads to a faster decrease in the production volumes of the first company. At the same time, an increase in price is observed, which is associated with a change in the parameters of the inverse demand function.
An increase in the share of equipment of the import-substituting company consumed by the second company can lead to a sharp increase in production volumes in the second and third companies, stabilization of production volumes in the first company and an increase in price.
The introduction of sanctions leads to a decrease in the production volumes and income of all companies relative to the baseline version. A significant change in price also occurs. However, due to the inertia of the equipment production processes in the example under consideration, a significant change in production volumes in the aggregate of companies occurs with a significant lag. This is especially characteristic of the third company, in which a noticeable deviation from the baseline version begins after 20 years. The blocking by the first equipment manufacturing company of investments in the development of import substitution in the third company ensures a relatively small gain for the first company in production volumes and NPV although allows to raise her market share.
Keywords: high-tech products, operational calculation, sanctions, import substitution, dynamics, market. -
Computer modeling of the gross regional product dynamics: a comparative analysis of neural network models
Computer Research and Modeling, 2025, v. 17, no. 6, pp. 1219-1236Analysis of regional economic indicators plays a crucial role in management and development planning, with Gross Regional Product (GRP) serving as one of the key indicators of economic activity. The application of artificial intelligence, including neural network technologies, enables significant improvements in the accuracy and reliability of forecasts of economic processes. This study compares three neural network algorithm models for predicting the GRP of a typical region of the Russian Federation — the Udmurt Republic — based on time series data from 2000 to 2023. The selected models include a neural network with the Bat Algorithm (BA-LSTM), a neural network model based on backpropagation error optimized with a Genetic Algorithm (GA-BPNN), and a neural network model of Elman optimized using the Particle Swarm Optimization algorithm (PSO-Elman). The research involved stages of neural network modeling such as data preprocessing, training model, and comparative analysis based on accuracy and forecast quality metrics. This approach allows for evaluating the advantages and limitations of each model in the context of GRP forecasting, as well as identifying the most promising directions for further research. The utilization of modern neural network methods opens new opportunities for automating regional economic analysis and improving the quality of forecast assessments, which is especially relevant when data are limited and for rapid decision-making. The study uses factors such as the amount of production capital, the average annual number of labor resources, the share of high-tech and knowledge-intensive industries in GRP, and an inflation indicator as input data for predicting GRP. The high accuracy of the predictions achieved by including these factors in the neural network models confirms the strong correlation between these factors and GRP. The results demonstrate the exceptional accuracy of the BA-LSTM neural network model on validation data: the coefficient of determination was 0.82, and the mean absolute percentage error was 4.19%. The high performance and reliability of this model confirm its capacity to predict effectively the dynamics of the GRP. During the forecast period up to 2030, the Udmurt Republic is expected to experience an annual increase in Gross Regional Product (GRP) of +4.6% in current prices or +2.5% in comparable 2023 prices. By 2030, the GRP is projected to reach 1264.5 billion rubles.
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Reducing computational complexity in agent-based epidemiological model calibration: application of deep learning surrogates
Computer Research and Modeling, 2026, v. 18, no. 1, pp. 185-200Acute respiratory infections are a major public health concern because they are the leading cause of illness and death in many countries. Therefore, there is great interest in developing models and methods capable of modeling the spread of these infections within communities, with the aim of controlling outbreaks and preventing their spread. Agent-based models (ABM) are one of the most important tools in epidemiological research for modeling epidemic dynamics in realistic populations, but they face significant challenges in terms of computational complexity in their operation and calibration of epidemiological data, as parameter estimation typically requires repeated simulations across large parameter spaces to determine plausible values for key epidemiological parameters. This paper addresses the problem of alleviating computational constraints in the inverse problem of calibrating an ABM model for simulating the spread of respiratory infections in Saint Petersburg. The paper proposes the application of machine learning surrogate to link epidemic trajectories to underlying epidemiological parameters, enabling them to quickly infer parameter estimates from observed epidemic data. This is done by formulating the task of calibrating ABMs against epidemiological data as a supervised learning problem, where sequences extracted from epidemiological trajectories are associated with underlying epidemiological parameters. The research was based on evaluating the performance of attention-based sequence modeling, probabilistic deep learning, and distributional regression for inferring parameter estimates from truncated sequences of epidemic trajectories. Experimental evaluations have demonstrated the effectiveness of this approach and its practical and straightforward application. The results also indicated the superiority of attention-based sequence modeling, as it showed more consistent performance across metrics and horizons in accurate parameter estimation and credible uncertainty quantification. Distributional regression modeling also showed good performance with specific strengths in point accuracy while probabilistic deep learning performed poorly, especially at longer input horizons.
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A quasi-periodic two-component dynamical model for cardio-signal synthesis using time-series and the fourth-order Runge–Kutta method
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 143-154Views (last year): 5. Citations: 6 (RSCI).In the article, a quasi-periodic two-component dynamical model with possibility of defining the cardio-cycle morphology, that provides the model with an ability of generating a temporal and a spectral cardiosignal characteristics, including heart rate variability is described. A technique for determining the cardio-cycle morphology to provide realistic cardio-signal form is defined. A method for defining cardio-signal dynamical system by the way of determining a three-dimensional state space and equations which describe a trajectory of point’s motion in this space is presented. A technique for solving equations of motion in the three-dimensional state space of dynamical cardio-signal system using the fourth-order Runge–Kutta method is presented. Based on this model, algorithm and software package are developed. Using software package, a cardio-signal synthesis experiment is conducted and the relationship of cardio-signal diagnostic features is analyzed.
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Methodic of legacy information systems handling
Computer Research and Modeling, 2014, v. 6, no. 2, pp. 331-344Views (last year): 3. Citations: 1 (RSCI).In this article a method of legacy information systems handling is offered. During professional activities of specialists of various domains of industry they face with the problem that computer software that was involved in product development stage becomes obsolete much quickly than the product itself. At the same time switch to any modern software might be not possible due to various reasons. This problem is known as "legacy system" problem. It appears when product lifecycle is sufficiently longer than that of software systems that were used for product creation. In this article author offers an approach for solving this problem along with computer application based on this approach.
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The integrated model of eco-economic system on the example of the Republic of Armenia
Computer Research and Modeling, 2014, v. 6, no. 4, pp. 621-631Views (last year): 14. Citations: 7 (RSCI).This article presents an integrated dynamic model of eco-economic system of the Republic of Armenia (RA). This model is constructed using system dynamics methods, which allow to consider the major feedback related to key characteristics of eco-economic system. Such model is a two-objective optimization problem where as target functions the level of air pollution and gross profit of national economy are considered. The air pollution is minimized due to modernization of stationary and mobile sources of pollution at simultaneous maximization of gross profit of national economy. At the same time considered eco-economic system is characterized by the presence of internal constraints that must be accounted at acceptance of strategic decisions. As a result, we proposed a systematic approach that allows forming sustainable solutions for the development of the production sector of RA while minimizing the impact on the environment. With the proposed approach, in particular, we can form a plan for optimal enterprise modernization and predict long-term dynamics of harmful emissions into the atmosphere.
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Approaches to cloud infrastructures integration
Computer Research and Modeling, 2016, v. 8, no. 3, pp. 583-590Views (last year): 6. Citations: 11 (RSCI).One of the important direction of cloud technologies development nowadays is a creation of methods for integration of various cloud infrastructures. An actuality of such direction in academic field is caused by a frequent lack of own computing resources and a necessity to attract additional ones. This article is dedicated to existing approaches to cloud infrastructures integration with each other: federations and so called ‘cloud bursting’. A ‘federation’ in terms of OpenNebula cloud platform is built on a ‘one master zone and several slave ones’ schema. A term ‘zone’ means a separate cloud infrastructure in the federation. All zones in such kind of integration have a common database of users and the whole federation is managed via master zone only. Such approach is most suitable for a case when cloud infrastructures of geographically distributed branches of a single organization need to be integrated. But due to its high centralization it's not appropriate when one needs to join cloud infrastructures of different organizations. Moreover it's not acceptable at all in case of clouds based on different software platforms. A model of federative integration implemented in EGI Federated Cloud allows to connect clouds based on different software platforms but it requires a deployment of sufficient amount of additional services which are specific for EGI Federated Cloud only. It makes such approach is one-purpose and uncommon one. A ‘cloud bursting’ model has no limitations listed above but in case of OpenNebula platform what the Laboratory of Information Technologies of Joint Institute for Nuclear Research (LIT JINR) cloud infrastructure is based on such model was implemented for an integration with a certain set of commercial cloud resources providers. Taking into account an article authors’ experience in joining clouds of organizations they represent as well as with EGI Federation Cloud a ‘cloud bursting’ driver was developed by LIT JINR cloud team for OpenNebula-based clouds integration with each other as well as with OpenStack-based ones. The driver's architecture, technologies and protocols it relies on and an experience of its usage are described in the article.
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