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The features of the component circuits method (MCC) in modeling chemical-technological systems (CTS) are considered, taking into account its practical significance. The software and algorithmic implementation of which is currently a set of computer modeling programs MARS (Modeling and Automatic Research of Systems). MARS allows the development and analysis of mathematical models with specified experimental parameters. Research and calculations were carried out using a specialized software and hardware complex MARS, which allows the development of mathematical models with specified experimental parameters. In the course of this work, the model of a perfect-mixing reactor was developed in the MARS modeling environment taking into account the physicochemical features of the uranium extraction process in the presence of nitric acid and tributyl phosphate. As results, the curves of changes of the concentration of uranium extracted into the organic phase are presented. The possibility of using MCC for the description and analysis of CTS, including extraction processes, has been confirmed. The use of the obtained results is planned to be used in the development of a virtual laboratory, which will include the main apparatus of the chemical industry, as well as complex technical controlled systems (CTСS) based on them and will allow one to acquire a wide range of professional competencies in working with “digital twins” of real control objects, including gaining initial experience working with the main equipment of the nuclear industry. In addition to the direct applied benefits, it is also assumed that the successful implementation of the domestic complex of computer modeling programs and technologies based on the obtained results will make it possible to find solutions to the problems of organizing national technological sovereignty and import substitution.

Computer-aided assembly planning of complex products is an important area of modern information technology. The sequence of assembly and decomposition of the product into assembly units largely depend on the mechanical structure of a technical system (machine, mechanical device, etc.). In most modern research, the mechanical structure of products is modeled using a graph of connections and its various modifications. The coordination of parts during assembly can be achieved by implementing several connections at the same time. This generates a $k$-ary basing relation on a set of product parts, which cannot be correctly described by graph means. A hypergraph model of the mechanical structure of a product is proposed. Modern discrete manufacturing uses sequential coherent assembly operations. The mathematical description of such operations is the normal contraction of edges of the hypergraph model. The sequence of contractions that transform the hypergraph into a point is a description of the assembly plan. Hypergraphs for which such a transformation exists are called $s$-hypergraphs. $S$-hypergraphs are correct mathematical models of the mechanical structures of any assembled products. A theorem on necessary conditions for the contractibility of $s$-hypergraphs is given. It is shown that the necessary conditions are not sufficient. An example of a noncontractible hypergraph for which the necessary conditions are satisfied is given. This means that the design of a complex technical system may contain hidden structural errors that make assembly of the product impossible. Therefore, finding sufficient conditions for contractibility is an important task. Two theorems on sufficient conditions for contractibility are proved. They provide a theoretical basis for developing an efficient computational procedure for finding all $s$-subgraphs of an $s$-hypergraph. An $s$-subgraph is a model of any part of a product that can be assembled independently. These are, first of all, assembly units of various levels of hierarchy. The set of all $s$-subgraphs of an $s$-hypergraph, ordered by inclusion, is a lattice. This model can be used to synthesize all possible sequences of assembly and disassembly of a product and its components. The lattice model of the product allows you to analyze geometric obstacles during assembly using algebraic means.

The need to model high-speed flows of compressible media with shock waves in the presence of dense curtains or layers of particles arises when studying various processes, such as the dispersion of particles from a layer behind a shock wave or propagation of combustion waves in heterogeneous explosives. These directions have been successfully developed over the past few decades, but the corresponding mathematical models and computational algorithms continue to be actively improved. The mechanisms of wave processes in two-phase media differ in different models, so it is important to continue researching and improving these models.

The paper is devoted to the numerical study of the propagation of disturbances inside a sand bed under the action of successive impacts of a normally incident air shock wave. The setting of the problem follows the experiments of A. T.Akhmetov with co-authors. The aim of this study is to investigate the possible reasons for signal amplification on the pressure sensor within the bed, as observed under some conditions in experiments. The mathematical model is based on a one-dimensional system of Baer –Nunziato equations for describing dense flows of two-phase media taking into account intergranular stresses in the particle phase. The computational algorithm is based on the Godunov method for the Baer – Nunziato equations.

The paper describes the dynamics of waves inside and outside a particle bed after applying first and second pressure pulses to it. The main components of the flow within the bed are filtration waves in the gas phase and compaction waves in the solid phase. The compaction wave, generated by the first pulse and reflected from the walls of the shock tube, interacts with the filtration wave caused by the second pulse. As a result, the signal measured by the pressure sensor inside the bed has a sharp peak, explaining the new effect observed in experiments.

Interpretability 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.

A compact finite difference scheme has been developed for modeling convection in a porous medium saturated with a fluid. We consider the problem for a rectangular domain with anisotropic permeability and thermal conductivity properties in terms of stream function and temperature deviation, taking into account Darcy's law. Boundary conditions of impenetrability and a linear distribution of temperature are set. This model is cosymmetric when certain conditions are imposed on the permeability and thermal conductivities. One parametric family of stationary convection regimes arises when mechanical equilibrium loses stability. A numerical method with a fourth-order finite difference approximation for spatial variables and a Runge – Kutta integrator for time has been developed. It has been proved that this scheme preserves cosymmetry. Numerical results for evaluating the critical Rayleigh number have been presented. We compare them with results obtained using a second-order finite-difference method. We show that critical Rayleigh numbers are repeated twice with very high accuracy, which proves cosymmetry preservation. Numerical evaluation of convective regimes and spectral properties are presented. The efficiency of the developed compact finite difference scheme on a nine-point stencil is assessed.

Searching optimal trajectory of motion is a complex problem that is investigated in many research studies. Most of the studies investigate methods that are applicable to such a problem in general, regardless of the model of the object. With such general approach, only numerical solution can be found. However, in some cases it is possible to find an optimal trajectory in a closed form. Current article considers a time optimal problem with state limitations for a wheeled mobile differential robot that moves on a horizontal plane. The mathematical model of motion is kinematic. The state constraints correspond to the obstacles on the plane defined as circles that need to be avoided during motion. The independent control inputs are the wheel speeds that are limited in absolute value. Such model is commonly used in problems where the transients are considered insignificant, for example, when controlling tracked or wheeled devices that move slowly, prioritizing traction power over speed. In the article it is shown that the optimal trajectory from the starting point to the finishing point in such kinematic approach is a sequence of straight segments of tangents to the obstacles and arcs of the circles that limit the obstacles. The geometrically shortest path between the start and the finish is also a sequence of straight lines and arcs, therefore the time-optimal trajectory corresponds to one of the local minima when searching for the shortest path. The article proposes a method of search for the time-optimal trajectory based on building a graph of possible trajectories, where the edges are the possible segments of the tajectory, and the vertices are the connections between them. The optimal path is sought using Dijkstra’s algorithm. The theoretical foundation of the method is given, and the results of computer investigation of the algorithm are provided.

This paper presents a systematic study of the application of convolutional neural networks (CNNs) as an efficient tool for the analysis of critical and low-temperature phase states in two dimensional spin system models. The problem of calculating the dependence of the average energy $\langle E\rangle_T^{}$ on the spatial distribution of exchange integrals $J_k^{}$ for the Edwards – Anderson model on a square lattice with frustrated interactions is considered.

We further construct a single convolutional classifier of phase states of the ferromagnetic Ising model on square, triangular, honeycomb, and kagome lattices, trained on configurations generated by the Swendsen – Wang cluster algorithm. Сomputed temperature profiles of the averaged posterior probability of the high-temperature phase, form clear S-shaped curves that intersect in the vicinity of the theoretical critical temperatures and allow one to determine $T_c^{}$ for the kagome lattice without additional retraining.

It is shown that convolutional models substantially reduce the root-mean-square error (RMSE) compared with fully connected architectures and efficiently capture complex correlations between thermodynamic characteristics and the structure of magnetic correlated systems.

Explainable Artificial Intelligence (XAI) is a field of artificial intelligence aimed at creating methods and tools for generating interpretable and human-understandable explanations of AI decisions. The relevance of model explainability increases with the deployment of artificial intelligence in critical domains (healthcare, finance, law), where algorithmic opacity can lead to serious consequences for users and society. This work presents an analytical review of the current state of the XAI field, covering theoretical foundations, methodology, and practical applications.

The examined explainable AI methods were selected and systematized based on a multi-level classification of XAI methods by problem formulation (goal, target audience, data type), methodology (application stage, model-specificity, methods, scale), and result form (representation, presentation, evaluation metrics).

A comparative analysis of explainable AI methods for various application domains is conducted. For classical machine learning, SHAP and LIME are examined in detail, revealing their theoretical foundations, computational characteristics, and limitations. For computer vision, gradient-based methods (SmoothGrad, Integrated Gradients), activation visualization methods (Grad-CAM, Grad-CAM++), perturbation-based methods (RISE, Occlusion), and conceptual explanations (TCAV, Network Dissection) are systematized. Special attention is paid to the specifics of applying XAI to natural language processing and large language models, including analysis of the faithfulness of Chain-of-Thought reasoning, natural language explanations, and attribution graph methods. Fundamental limitations of existing approaches to LLM explainability are identified and directions for future research are defined.

The review results demonstrate that XAI methods have reached significant maturity in classical machine learning and computer vision, however, their application to large language models remains an open research problem requiring the development of new explanation paradigms.

In this paper we investigate propagation of planar combustion waves in an adiabatic model with two-step chain branching reaction mechanism. Pulsating instabilities are found to emerge for fuel Lewis number greater than one due to a Hopf bifurcation. The Hopf bifurcation is demonstrated to be of a supercritical nature and it gives rise to periodic pulsating combustion waves as the neutral stability boundary is crossed. Further in-crease of the bifurcation parameter initiates period doubling bifurcation cascade and leads to chaotic regime of combustion wave propagation. The chaotic wave extinguishes when the bifurcation parameter becomes sufficiently large.

Exact solution of the stationary problem of wind-induced flow of two-layered viscous fluid is found for two-dimensional in vertical plane current and for drift current in three-dimensional case. The condition of sliding is set on the bottom of a water body. The condition of nonpassage is set on the lateral surface. Results of some calculations are given in comparison with those obtained using Ekman’s model (which does not take into account horizontal viscosity of the layer).