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On the using the differential schemes to transport equation with drain in grid modeling
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1149-1164Modern power transportation systems are the complex engineering systems. Such systems include both point facilities (power producers, consumers, transformer substations, etc.) and the distributed elements (f.e. power lines). Such structures are presented in the form of the graphs with different types of nodes under creating the mathematical models. It is necessary to solve the system of partial differential equations of the hyperbolic type to study the dynamic effects in such systems.
An approach similar to one already applied in modeling similar problems earlier used in the work. New variant of the splitting method was used proposed by the authors. Unlike most known works, the splitting is not carried out according to physical processes (energy transport without dissipation, separately dissipative processes). We used splitting to the transport equations with the drain and the exchange between Reimann’s invariants. This splitting makes possible to construct the hybrid schemes for Riemann invariants with a high order of approximation and minimal dissipation error. An example of constructing such a hybrid differential scheme is described for a single-phase power line. The difference scheme proposed is based on the analysis of the properties of the schemes in the space of insufficient coefficients.
Examples of the model problem numerical solutions using the proposed splitting and the difference scheme are given. The results of the numerical calculations shows that the difference scheme allows to reproduce the arising regions of large gradients. It is shown that the difference schemes also allow detecting resonances in such the systems.
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Calculation of transverse wave speed in preloaded fibres under an impact
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 887-897The paper considers the problem of transverse impact on a thin preloaded fiber. The commonly accepted theory of transverse impact on a thin fiber is based on the classical works of Rakhmatulin and Smith. The simple relations obtained from the Rakhmatulin – Smith theory are widely used in engineering practice. However, there are numerous evidences that experimental results may differ significantly from estimations based on these relations. A brief overview of the factors that cause the differences is given in this article.
This paper focuses on the shear wave velocity, as it is the only feature that can be directly observed and measured using high-speed cameras or similar methods. The influence of the fiber preload on the wave speed is considered. This factor is important, since it inevitably arises in the experimental results. The reliable fastening and precise positioning of the fiber during the experiments requires its preload. This work shows that the preload significantly affects the shear wave velocity in the impacted fiber.
Numerical calculations were performed for Kevlar 29 and Spectra 1000 yarns. Shear wave velocities are obtained for different levels of initial tension. A direct comparison of numerical results and analytical estimations with experimental data is presented. The speed of the transverse wave in free and preloaded fibers differed by a factor of two for the setup parameters considered. This fact demonstrates that measurements based on high-speed imaging and analysis of the observed shear waves should take into account the preload of the fibers.
This paper proposes a formula for a quick estimation of the shear wave velocity in preloaded fibers. The formula is obtained from the basic relations of the Rakhmatulin – Smith theory under the assumption of a large initial deformation of the fiber. The formula can give significantly better results than the classical approximation, this fact is demonstrated using the data for preloaded Kevlar 29 and Spectra 1000. The paper also shows that direct numerical calculation has better corresponding with the experimental data than any of the considered analytical estimations.
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Nonsmooth Distributed Min-Max Optimization Using the Smoothing Technique
Computer Research and Modeling, 2023, v. 15, no. 2, pp. 469-480Distributed saddle point problems (SPPs) have numerous applications in optimization, matrix games and machine learning. For example, the training of generated adversarial networks is represented as a min-max optimization problem, and training regularized linear models can be reformulated as an SPP as well. This paper studies distributed nonsmooth SPPs with Lipschitz-continuous objective functions. The objective function is represented as a sum of several components that are distributed between groups of computational nodes. The nodes, or agents, exchange information through some communication network that may be centralized or decentralized. A centralized network has a universal information aggregator (a server, or master node) that directly communicates to each of the agents and therefore can coordinate the optimization process. In a decentralized network, all the nodes are equal, the server node is not present, and each agent only communicates to its immediate neighbors.
We assume that each of the nodes locally holds its objective and can compute its value at given points, i. e. has access to zero-order oracle. Zero-order information is used when the gradient of the function is costly, not possible to compute or when the function is not differentiable. For example, in reinforcement learning one needs to generate a trajectory to evaluate the current policy. This policy evaluation process can be interpreted as the computation of the function value. We propose an approach that uses a smoothing technique, i. e., applies a first-order method to the smoothed version of the initial function. It can be shown that the stochastic gradient of the smoothed function can be viewed as a random two-point gradient approximation of the initial function. Smoothing approaches have been studied for distributed zero-order minimization, and our paper generalizes the smoothing technique on SPPs.
Keywords: convex optimization, distributed optimization. -
Molecular dynamics of tubulin protofilaments and the effect of taxol on their bending deformation
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 503-512Despite the widespread use of cancer chemotherapy drugs, the molecular mechanisms of action of many of them remain unclear. Some of these drugs, such as taxol, are known to affect the dynamics of microtubule assembly and stop the process of cell division in prophase-prometaphase. Recently, new spatial structures of microtubules and individual tubulin oligomers have emerged associated with various regulatory proteins and cancer chemotherapy drugs. However, knowledge of the spatial structure in itself does not provide information about the mechanism of action of drugs.
In this work, we applied the molecular dynamics method to study the behavior of taxol-bound tubulin oligomers and used our previously developed method for analyzing the conformation of tubulin protofilaments, based on the calculation of modified Euler angles. Recent structures of microtubule fragments have demonstrated that tubulin protofilaments bend not in the radial direction, as many researchers assume, but at an angle of approximately 45◦ from the radial direction. However, in the presence of taxol, the bending direction shifts closer to the radial direction. There was no significant difference between the mean bending and torsion angles of the studied tubulin structures when bound to the various natural regulatory ligands, guanosine triphosphate and guanosine diphosphate. The intra-dimer bending angle was found to be greater than the interdimer bending angle in all analyzed trajectories. This indicates that the bulk of the deformation energy is stored within the dimeric tubulin subunits and not between them. Analysis of the structures of the latest generation of tubulins indicated that the presence of taxol in the tubulin beta subunit pocket allosterically reduces the torsional rigidity of the tubulin oligomer, which could explain the underlying mechanism of taxol’s effect on microtubule dynamics. Indeed, a decrease in torsional rigidity makes it possible to maintain lateral connections between protofilaments, and therefore should lead to the stabilization of microtubules, which is what is observed in experiments. The results of the work shed light on the phenomenon of dynamic instability of microtubules and allow to come closer to understanding the molecular mechanisms of cell division.
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Reduced mathematical model of blood coagulation taking into account thrombin activity switching as a basis for estimation of hemodynamic effects and its implementation in FlowVision package
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1039-1067The possibility of numerical 3D simulation of thrombi formation is considered.
The developed up to now detailed mathematical models describing formation of thrombi and clots include a great number of equations. Being implemented in a CFD code, the detailed mathematical models require essential computer resources for simulation of the thrombi growth in a blood flow. A reasonable alternative way is using reduced mathematical models. Two models based on the reduced mathematical model for the thrombin generation are described in the given paper.
The first model describes growth of a thrombus in a great vessel (artery). The artery flows are essentially unsteady. They are characterized by pulse waves. The blood velocity here is high compared to that in the vein tree. The reduced model for the thrombin generation and the thrombus growth in an artery is relatively simple. The processes accompanying the thrombin generation in arteries are well described by the zero-order approximation.
A vein flow is characterized lower velocity value, lower gradients, and lower shear stresses. In order to simulate the thrombin generation in veins, a more complex system of equations has to be solved. The model must allow for all the non-linear terms in the right-hand sides of the equations.
The simulation is carried out in the industrial software FlowVision.
The performed numerical investigations have shown the suitability of the reduced models for simulation of thrombin generation and thrombus growth. The calculations demonstrate formation of the recirculation zone behind a thrombus. The concentration of thrombin and the mass fraction of activated platelets are maximum here. Formation of such a zone causes slow growth of the thrombus downstream. At the upwind part of the thrombus, the concentration of activated platelets is low, and the upstream thrombus growth is negligible.
When the blood flow variation during a hart cycle is taken into account, the thrombus growth proceeds substantially slower compared to the results obtained under the assumption of constant (averaged over a hard cycle) conditions. Thrombin and activated platelets produced during diastole are quickly carried away by the blood flow during systole. Account of non-Newtonian rheology of blood noticeably affects the results.
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Forecasting demographic and macroeconomic indicators in a distributed global model
Computer Research and Modeling, 2023, v. 15, no. 3, pp. 757-779The paper present a dynamic macro model of world dynamics. The world is divided into 19 geographic regions in the model. The internal development of the regions is described by regression equations for demographic and economic indicators (Population, Gross Domestic Product, Gross Capital Formation). The bilateral trade flows from region to region describes interregional interactions and represented the trade submodel. Time, the gross product of the exporter and the gross product of the importer were used as regressors. Four types were considered: time pair regression — dependence of trade flow on time, export function — dependence of the share of trade flow in the gross product of the exporter on the gross product of the importer, import function — dependence of the share of trade flow in the gross product of the importer on the gross product of the exporter, multiple regression — dependence of trade flow on the gross products of the exporter and importer. Two types of functional dependence were used for each type: linear and log-linear, in total eight variants of the trading equation were studied. The quality of regression models is compared by the coefficient of determination. By calculations the model satisfactorily approximates the dynamics of monotonically changing indicators. The dynamics of non-monotonic trade flows is analyzed, three types of functional dependence on time are proposed for their approximation. It is shown that the number of foreign trade series can be approximated by the space of seven main components with a 10% error. The forecast of regional development and global dynamics up to 2040 is constructed.
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Subgradient methods for weakly convex problems with a sharp minimum in the case of inexact information about the function or subgradient
Computer Research and Modeling, 2024, v. 16, no. 7, pp. 1765-1778The problem of developing efficient numerical methods for non-convex (including non-smooth) problems is relevant due to their widespread use of such problems in applications. This paper is devoted to subgradient methods for minimizing Lipschitz $\mu$-weakly convex functions, which are not necessarily smooth. It is well known that subgradient methods have low convergence rates in high-dimensional spaces even for convex functions. However, if we consider a subclass of functions that satisfies sharp minimum condition and also use the Polyak step, we can guarantee a linear convergence rate of the subgradient method. In some cases, the values of the function or it’s subgradient may be available to the numerical method with some error. The accuracy of the solution provided by the numerical method depends on the magnitude of this error. In this paper, we investigate the behavior of the subgradient method with a Polyak step when inaccurate information about the objective function value or subgradient is used in iterations. We prove that with a specific choice of starting point, the subgradient method with some analogue of the Polyak step-size converges at a geometric progression rate on a class of $\mu$-weakly convex functions with a sharp minimum, provided that there is additive inaccuracy in the subgradient values. In the case when both the value of the function and the value of its subgradient at the current point are known with error, convergence to some neighborhood of the set of exact solutions is shown and the quality estimates of the output solution by the subgradient method with the corresponding analogue of the Polyak step are obtained. The article also proposes a subgradient method with a clipped step, and an assessment of the quality of the solution obtained by this method for the class of $\mu$-weakly convex functions with a sharp minimum is presented. Numerical experiments were conducted for the problem of low-rank matrix recovery. They showed that the efficiency of the studied algorithms may not depend on the accuracy of localization of the initial approximation within the required region, and the inaccuracy in the values of the function and subgradient may affect the number of iterations required to achieve an acceptable quality of the solution, but has almost no effect on the quality of the solution itself.
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Application of the friendship index and disparity filter for the analysis of bibliometric journal networks
Computer Research and Modeling, 2026, v. 18, no. 2, pp. 519-535The traditional approach to studying inter-journal communication involves analyzing journal citation graphs. This paper proposes a method for analyzing journal networks using a new type of bibliometric graph — a journal intersection graph based on the binary operation of set intersection — employing techniques grounded in the friendship index and the disparity function. The approach is demonstrated using a relatively small example of a real journal network, with data sourced from the All-Russian portal Math-Net.Ru information system: 63 journals from 2008–2021 meeting specific criteria, containing almost 69 thousand articles authored by 54 thousand individuals. The mathematical model of this real-world network is represented as an intersection graph using the Jaccard coefficient, which exhibits specific properties: low dimensionality, high graph density, and an edge weight distribution that is not approximated by a power law function. The obtained results include the network structure of connections within the studied set of journals, accounting for their degree of interaction, and the identification of significant vertices using the friendship index. This captures the graph’s structural properties, offers an obvious substantive interpretation, and allows for ranking journals by this metric. Thus, the method implements a tool for distinguishing between vertices that are leaders in terms of the friendship index and “network integrators” (based on closeness/betweenness centrality). It also demonstrates a qualitative change in structural properties when reducing graph density while maintaining connectivity, achieved by applying the disparity function. The sequential application of the disparity function while lowering the significance threshold allows for the identification of the graph’s core, containing the most strongly connected vertices. This, in turn, enables the determination of a set of vertices (and corresponding journals) that are simultaneously part of the core and have the highest significance according to the friendship index. An analysis of the levels of this resulting journal set within the “Belyi Spisok” (“White List”) shows these journals have a high rating. The findings provide a deeper understanding of the relationship structure within scientific journal networks and define new approaches for their study.
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Approximate methods of studying dynamics of market structure
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 219-229Views (last year): 3. Citations: 9 (RSCI).An approach to computation of open-loop optimal Nash–Cournot strategies in dynamical games which is based on the Z-transform method and factorization is proposed. The main advantage of the proposed approach is that it permits to overcome the problems of instability of economic indicators of oligopolies arising when generalized Riccati equations are used.
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Efficient processing and classification of wave energy spectrum data with a distributed pipeline
Computer Research and Modeling, 2015, v. 7, no. 3, pp. 517-520Views (last year): 3. Citations: 2 (RSCI).Processing of large amounts of data often consists of several steps, e.g. pre- and post-processing stages, which are executed sequentially with data written to disk after each step, however, when pre-processing stage for each task is different the more efficient way of processing data is to construct a pipeline which streams data from one stage to another. In a more general case some processing stages can be factored into several parallel subordinate stages thus forming a distributed pipeline where each stage can have multiple inputs and multiple outputs. Such processing pattern emerges in a problem of classification of wave energy spectra based on analytic approximations which can extract different wave systems and their parameters (e.g. wave system type, mean wave direction) from spectrum. Distributed pipeline approach achieves good performance compared to conventional “sequential-stage” processing.
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