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Automating high-quality concept banks: leveraging LLMs and multimodal evaluation metrics
Computer Research and Modeling, 2024, v. 16, no. 7, pp. 1555-1567Interpretability in recent deep learning models has become an epicenter of research particularly in sensitive domains such as healthcare, and finance. Concept bottleneck models have emerged as a promising approach for achieving transparency and interpretability by leveraging a set of humanunderstandable concepts as an intermediate representation before the prediction layer. However, manual concept annotation is discouraged due to the time and effort involved. Our work explores the potential of large language models (LLMs) for generating high-quality concept banks and proposes a multimodal evaluation metric to assess the quality of generated concepts. We investigate three key research questions: the ability of LLMs to generate concept banks comparable to existing knowledge bases like ConceptNet, the sufficiency of unimodal text-based semantic similarity for evaluating concept-class label associations, and the effectiveness of multimodal information in quantifying concept generation quality compared to unimodal concept-label semantic similarity. Our findings reveal that multimodal models outperform unimodal approaches in capturing concept-class label similarity. Furthermore, our generated concepts for the CIFAR-10 and CIFAR-100 datasets surpass those obtained from ConceptNet and the baseline comparison, demonstrating the standalone capability of LLMs in generating highquality concepts. Being able to automatically generate and evaluate high-quality concepts will enable researchers to quickly adapt and iterate to a newer dataset with little to no effort before they can feed that into concept bottleneck models.
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Movement of sediment over periodic bed
Computer Research and Modeling, 2018, v. 10, no. 1, pp. 47-60Views (last year): 9.The movement of bed load along the closed conduit can lead to a loss of stability of the bed surface, when bed waves arise at the bed of the channel. Investigation of the development of bed waves is associated with the possibility of determining of the bed load nature along the bed of the periodic form. Despite the great attention of many researchers to this problem, the question of the development of bed waves remains open at the present time. This is due to the fact that in the analysis of this process many researchers use phenomenological formulas for sediment transport in their work. The results obtained in such models allow only assess qualitatly the development of bed waves. For this reason, it is of interest to carry out an analysis of the development of bed waves using the analytical model for sediment transport.
The paper proposed two-dimensional profile mathematical riverbed model, which allows to investigate the movement of sediment over a periodic bed. A feature of the mathematical model is the possibility of calculating the bed load transport according to an analytical model with the Coulomb–Prandtl rheology, which takes into account the influence of bottom surface slopes, bed normal and tangential stresses on the movement of bed material. It is shown that when the bed material moves along the bed of periodic form, the diffusion and pressure transport of bed load are multidirectional and dominant with respect to the transit flow. Influence of the effects of changes in wave shape on the contribution of transit, diffusion and pressure transport to the total sediment transport has been studied. Comparison of the received results with numerical solutions of the other authors has shown their good qualitative initiation.
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Physical research, numerical and analytical modeling of explosion phenomena. A review
Computer Research and Modeling, 2020, v. 12, no. 3, pp. 505-546The review considers a wide range of phenomena and problems associated with the explosion. Detailed numerical studies revealed an interesting physical effect — the formation of discrete vortex structures directly behind the front of a shock wave propagating in dense layers of a heterogeneous atmosphere. The necessity of further investigation of such phenomena and the determination of the degree of their connection with the possible development of gas-dynamic instability is shown. The brief analysis of numerous works on the thermal explosion of meteoroids during their high-speed movement in the Earth’s atmosphere is given. Much attention is paid to the development of a numerical algorithm for calculating the simultaneous explosion of several fragments of meteoroids and the features of the development of such a gas-dynamic flow are analyzed. The work shows that earlier developed algorithms for calculating explosions can be successfully used to study explosive volcanic eruptions. The paper presents and discusses the results of such studies for both continental and underwater volcanoes with certain restrictions on the conditions of volcanic activity.
The mathematical analysis is performed and the results of analytical studies of a number of important physical phenomena characteristic of explosions of high specific energy in the ionosphere are presented. It is shown that the preliminary laboratory physical modeling of the main processes that determine these phenomena is of fundamental importance for the development of sufficiently complete and adequate theoretical and numerical models of such complex phenomena as powerful plasma disturbances in the ionosphere. Laser plasma is the closest object for such a simulation. The results of the corresponding theoretical and experimental studies are presented and their scientific and practical significance is shown. The brief review of recent years on the use of laser radiation for laboratory physical modeling of the effects of a nuclear explosion on asteroid materials is given.
As a result of the analysis performed in the review, it was possible to separate and preliminarily formulate some interesting and scientifically significant questions that must be investigated on the basis of the ideas already obtained. These are finely dispersed chemically active systems formed during the release of volcanoes; small-scale vortex structures; generation of spontaneous magnetic fields due to the development of instabilities and their role in the transformation of plasma energy during its expansion in the ionosphere. It is also important to study a possible laboratory physical simulation of the thermal explosion of bodies under the influence of highspeed plasma flow, which has only theoretical interpretations.
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Localized nonlinear waves of the sine-Gordon equation in a model with three extended impurities
Computer Research and Modeling, 2024, v. 16, no. 4, pp. 855-868In this work, we use analytical and numerical methods to consider the problem of the structure and dynamics of coupled localized nonlinear waves in the sine-Gordon model with three identical attractive extended “impurities”, which are modeled by spatial inhomogeneity of the periodic potential. Two possible types of coupled nonlinear localized waves are found: breather and soliton. The influence of system parameters and initial conditions on the structure, amplitude, and frequency of localized waves was analyzed. Associated oscillations of localized waves of the breather type as in the case of point impurities, are the sum of three harmonic oscillations: in-phase, in-phase-antiphase and antiphase type. Frequency analysis of impurity-localized waves that were obtained during a numerical experiment was performed using discrete Fourier transform. To analyze localized breather-type waves, the numerical finite difference method was used. To carry out a qualitative analysis of the obtained numerical results, the problem was solved analytically for the case of small amplitudes of oscillations localized on impurities. It is shown that, for certain impurity parameters (depth and width), it is possible to obtain localized solitontype waves. The ranges of values of the system parameters in which localized waves of a certain type exist, as well as the region of transition from breather to soliton types of oscillations, have been found. The values of the depth and width of the impurity at which a transition from the breather to the soliton type of localized oscillations is observed were determined. Various scenarios of soliton-type oscillations with negative and positive amplitude values for all three impurities, as well as mixed cases, were obtained and considered. It is shown that in the case when the distance between impurities much less than one, there is no transition region where which the nascent breather, after losing energy through radiation, transforms into a soliton. It is shown that the considered model can be used, for example, to describe the dynamics of magnetization waves in multilayer magnets.
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Multi-particle Brownian Dynamics software ProKSim for protein-protein interactions modeling
Computer Research and Modeling, 2013, v. 5, no. 1, pp. 47-64Views (last year): 4. Citations: 8 (RSCI).Protein-protein interactions are of central importance for virtually every process in living matter. Modeling the dynamics of protein association is crucial for understanding their functionality. This paper proposes novel simulation software ProKSim (Protein Kinetics Simulator) for modeling of protein interactions by means of the multi-particle Brownian Dynamics. Effect of long-range electrostatic interactions on the process of transient encounter complex formation is numerically estimated. Investigation of transient encounter complex formation was performed for three pairs of proteins: ferredoxin and ferredoxin:NADP+-redustase, plastocyanin and cytochrome f, barnase and barstar.
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Numerical study of thermal destruction of the ”Chelyabinsk” meteorite when entering the Earth’s atmosphere
Computer Research and Modeling, 2013, v. 5, no. 6, pp. 941-956Citations: 4 (RSCI).A mathematical model for the numerical study of thermal destruction of the "Chelyabinsk" meteorite when entering the Earth’s atmosphere is presented in the article. The study was conducted in the framework of an integrated approach, including the calculation of the meteorite trajectory associated with the physical processes connected with the meteorite motion. Together with the trajectory the flow field and radiation-convective heat
transfer were determined as well as warming and destruction of the meteorite under the influence of the calculated heat load. An integrated approach allows to determine the trajectories of space objects more precisely, predict the area of their fall and destruction. -
Modeling the physical processes of a powerful nuclear explosion on an asteroid
Computer Research and Modeling, 2019, v. 11, no. 5, pp. 861-877As part of the paper, a physical and theoretical analysis of the impact processes of various factors of a highaltitude and high-energy nuclear explosion on the asteroid in extra-atmospheric conditions of open space is done. It is shown that, in accordance with the energy and permeability of the plasma of explosion products, X-ray and gamma-neutron radiation, a layered structure with a different energy density depending on angular coordinates is formed on the surface of the asteroid. The temporal patterns of the energy transformation for each layer is clarified and the roles of various photo- and collision processes are determined. The effect of a high-speed plasma flow is erosive in nature, and the plasma pulse is transmitted to the asteroid. The paper presents that in a thin layer of x-ray absorption, the asteroid substance is heated to high temperatures and as a result of its expansion, a recoil impulse is formed, which is not decisive due to the small mass of the expanding high-temperature plasma. Calculations shows that the main impulse received by an asteroid is associated with the entrainment of a heated layer of a substance formed by a neutron flux (7.5 E 1014 g E cm/s). It is shown that an asteroid with a radius of ~100 m acquires a velocity of . 100 cm/s. The calculations were performed taking into account the explosion energy spent on the destruction of the amorphous structure of the asteroid material (~1 eV/atom = 3.8 E 1010 erg/g) and ionization in the region of the high-temperature layer. Based on a similar analysis, an approximation is obtained for estimating the average size of fragments in the event of the possible destruction of the asteroid by shock waves generated inside it under the influence of pressure impulses. A physical experiment was conducted in laboratory conditions, simulating the fragmentation of a stone asteroid and confirming the validity of the obtained dependence on the selected values of certain parameters. As a result of numerical studies of the effects of the explosion, carried out at different distances from the surface of the asteroid, it is shown that taking into account the real geometry of the spallation layer gives the optimal height for the formation of the maximum asteroid momentum by a factor of 1.5 greater than similar estimates according to the simplified model. A two-stage concept of the impact of nuclear explosions on an asteroid using radar guidance tools is proposed. The paper analyzes the possible impact of the emerging ionization interference on the radar tracking of the movement of large fragments of the asteroid in the space-time evolution of all elements of the studied dynamic system.
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Analytical study of rod lifting margin of fuel assembly of fast sodium reactor
Computer Research and Modeling, 2020, v. 12, no. 6, pp. 1307-1321The paper describes an analytical study of hydrodynamic processes taking place in the course of coolant flow through a fuel assembly of the core of a fast neutron sodium-cooled reactor. Within the framework of the study, a procedure and an analytical model were developed based on program complex FlowVision of computational fluid dynamics, which, using proved simplifications, permits to obtain a coefficient of rod lifting margin of a fuel assembly and to study hydrodynamic characteristics of processes taking place in the course of simulation of different initial events influencing motion of a reactor core fuel assembly.
For analytical justification a fuel assembly model was developed, which is equivalent by hydraulic resistance values and permits not to simulate explicitly a complicated full-scale fuel assembly design, thus, decreasing a number of computational cells in the model and, as a result, reducing computational and time resources.
Hydraulic parameters of the equivalent fuel assembly model in program complex FlowVision were analyzed in two stages. At the first stage, to determine the minimum rod lifting margin coefficient of a fuel assembly, steady-state analyses were performed, where various flowrate values were assigned at the model inlet and forces acting upon the assembly were analyzed. A series of dynamic mode analyses was performed at the second stage. Jump-like pressure increase being the initial event which could occur hypothetically in the fast neutron sodium cooled reactor plant was assigned in these modes. Hydrodynamic parameters and forces acting upon the fuel assembly were determined.
The results of the first stage of the analytical study proved the minimum coefficient of rod lifting margin of a fuel assembly of the fast neutron reactor justified in reactor plant design documentation. As a result of the second stage of the study, conclusions were made on impossibility for the fuel assembly to move at the initial event associated with jump-like pressure increase in the reactor pressure chamber.
Keywords: core, liquid-metal cooled reactor, fuel assembly, hydrodynamics, analytical model, FlowVision. -
Identification of an object model in the presence of unknown disturbances with a wide frequency range based on the transition to signal increments and data sampling
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 315-337The work is devoted to the problem of creating a model with stationary parameters using historical data under conditions of unknown disturbances. The case is considered when a representative sample of object states can be formed using historical data accumulated only over a significant period of time. It is assumed that unknown disturbances can act in a wide frequency range and may have low-frequency and trend components. In such a situation, including data from different time periods in the sample can lead to inconsistencies and greatly reduce the accuracy of the model. The paper provides an overview of approaches and methods for data harmonization. In this case, the main attention is paid to data sampling. An assessment is made of the applicability of various data sampling options as a tool for reducing the level of uncertainty. We propose a method for identifying a self-leveling object model using data accumulated over a significant period of time under conditions of unknown disturbances with a wide frequency range. The method is focused on creating a model with stationary parameters that does not require periodic reconfiguration to new conditions. The method is based on the combined use of sampling and presentation of data from individual periods of time in the form of increments relative to the initial point in time for the period. This makes it possible to reduce the number of parameters that characterize unknown disturbances with a minimum of assumptions that limit the application of the method. As a result, the dimensionality of the search problem is reduced and the computational costs associated with setting up the model are minimized. It is possible to configure both linear and, in some cases, nonlinear models. The method was used to develop a model of closed cooling of steel on a unit for continuous hot-dip galvanizing of steel strip. The model can be used for predictive control of thermal processes and for selecting strip speed. It is shown that the method makes it possible to develop a model of thermal processes from a closed cooling section under conditions of unknown disturbances, including low-frequency components.
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Numerical simulation of converging spherical shock waves with symmetry violation
Computer Research and Modeling, 2025, v. 17, no. 1, pp. 59-71The study of the development of π-periodic perturbations of a converging spherical shock wave leading to cumulation limitation is performed. The study is based on 3D hydrodynamic calculations with the Carnahan – Starling equation of state for hard sphere fluid. The method of solving the Euler equations on moving (compressing) grids allows one to trace the evolution of the converging shock wave front with high accuracy in a wide range of its radius. The compression rate of the computational grid is adapted to the motion of the shock wave front, while the motion of the boundaries of the computational domain satisfy the condition of its supersonic velocity relative to the medium. This leads to the fact that the solution is determined only by the initial data at the grid compression stage. The second order TVD scheme is used to reconstruct the vector of conservative variables at the boundaries of the computational cells in combination with the Rusanov scheme for calculating the numerical vector of flows. The choice is due to a strong tendency for the manifestation of carbuncle-type numerical instability in the calculations, which is known for other classes of flows. In the three-dimensional case of the observed force, the carbuncle effect was obtained for the first time, which is explained by the specific nature of the flow: the concavity of the shock wave front in the direction of motion, the unlimited (in the symmetric case) growth of the Mach number, and the stationarity of the front on the computational grid. The applied numerical method made it possible to study the detailed flow pattern on the scale of cumulation termination, which is impossible within the framework of the Whitham method of geometric shock wave dynamics, which was previously used to calculate converging shock waves. The study showed that the limitation of cumulation is associated with the transition from the Mach interaction of converging shock wave segments to a regular one due to the progressive increase in the ratio of the azimuthal velocity at the shock wave front to the radial velocity with a decrease in its radius. It was found that this ratio is represented as a product of a limited oscillating function of the radius and a power function of the radius with an exponent depending on the initial packing density in the hard sphere model. It is shown that increasing the packing density parameter in the hard sphere model leads to a significant increase in the pressures achieved in a shock wave with broken symmetry. For the first time in the calculation, it is shown that at the scale of cumulation termination, the flow is accompanied by the formation of high-energy vortices, which involve the substance that has undergone the greatest shock-wave compression. Influencing heat and mass transfer in the region of greatest compression, this circumstance is important for current practical applications of converging shock waves for the purpose of initiating reactions (detonation, phase transitions, controlled thermonuclear fusion).
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