Journal of Computational Science最新文献

{"title":"Fast and power efficient GPU-based explicit elastic wave propagation analysis by low-ordered orthogonal voxel finite element with INT8 Tensor Cores","authors":"Tsuyoshi Ichimura ,&nbsp;Kohei Fujita ,&nbsp;Muneo Hori ,&nbsp;Maddegedara Lalith","doi":"10.1016/j.jocs.2025.102659","DOIUrl":"10.1016/j.jocs.2025.102659","url":null,"abstract":"<div><div>There is a strong need for faster and more power-efficient explicit elastic wavefield simulations for large and complex three-dimensional media using a structured finite element method. Such wavefield simulations are suitable for GPUs, which have been improving their computational performance in recent years, and the use of GPUs is expected to speed up such simulations. However, there is still room for speedup and improving energy efficiency of such simulations using GPUs, since the performance of GPUs is not fully exploited just by its simple use, and the conventional method involves some numerical dispersion. In this paper, we propose a method for fast and efficient explicit structured-mesh wavefield simulation on GPUs by utilizing INT8 Tensor Cores and reducing numerical dispersion. We implemented the proposed method on GPUs and evaluated its performance in detail using an application example that simulates a real problem, and showed that it is faster and more efficient than conventional methods on many-node CPU-based systems and multiple GPU-based systems. This paper is the extended version of Ichimura et al. (2024).<span><span>[1]</span></span></div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"91 ","pages":"Article 102659"},"PeriodicalIF":3.1,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144534397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TECNN: Identification of key nodes in complex networks based on transformer encoder and Convolutional Neural Network","authors":"Lihui Sun,&nbsp;Pengli Lu","doi":"10.1016/j.jocs.2025.102632","DOIUrl":"10.1016/j.jocs.2025.102632","url":null,"abstract":"<div><div>In complex networks, identifying key nodes is crucial for controlling information dissemination, optimizing resource allocation, and enhancing network robustness. Although many methods for identifying key nodes have been proposed, most deep learning-based approaches lack in-depth study of multi-hop neighbor relationships when constructing node features, often ignoring critical information and thus affecting identification accuracy. To address this issue, we propose a hybrid model based on the Transformer encoder and Convolutional Neural Network (<strong>TECNN</strong>) to better capture comprehensive information of nodes and predict their diffusion influence. Firstly, we use the neighborhood aggregation module to aggregate the 7-hop neighbor features of the nodes, obtaining a neighborhood matrix for the nodes. Next, the neighborhood matrix is fed into the Transformer encoder to capture the long-range dependencies between nodes, producing new node feature representations. These new node representations are then input into the Convolutional Neural Network, and the structural information of the nodes is further extracted through multilayer convolutional operations. Finally, a fully connected layer is used to predict the influence of the nodes. We perform comparative experiments by comparing the TECNN algorithm with four classical centrality algorithms and three state-of-the-art deep learning-based algorithms on 12 networks. The experimental results show that TECNN performs well in terms of ranking accuracy, discriminative ability, and top-10 node identification precision.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"91 ","pages":"Article 102632"},"PeriodicalIF":3.1,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144534520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A surrogate model for studying random field energy release rates in 2D brittle fractures","authors":"Luis Blanco-Cocom ,&nbsp;Marcos A. Capistrán ,&nbsp;Jaroslaw Knap ,&nbsp;J. Andrés Christen","doi":"10.1016/j.jocs.2025.102635","DOIUrl":"10.1016/j.jocs.2025.102635","url":null,"abstract":"<div><div>This article proposes a weighted-variational model as an approximated surrogate model to lessen numerical complexity and lower the execution times of brittle fracture simulations. Consequently, Monte Carlo studies of brittle fractures become possible when energy release rates are modeled as a random field. In the weighed-variational model, we propose applying a Gaussian random field with a Matérn covariance function to simulate a non-homogeneous energy release rate (<span><math><msub><mrow><mi>G</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>) of a material. Numerical solutions to the weighed-variational model, along with the more standard but computationally demanding hybrid phase-field models, are obtained using the FEniCS open-source software. The results have indicated that the weighted-variational model is a competitive surrogate model of the hybrid phase-field method to mimic brittle fractures in real structures. This method reduces execution times by 90%. We conducted a similar study and compared our results with an actual brittle fracture laboratory experiment. We present an example where a Monte Carlo study is carried out, modeling <span><math><msub><mrow><mi>G</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span> as a Gaussian Process, obtaining a distribution of possible fractures, and load–displacement curves.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"91 ","pages":"Article 102635"},"PeriodicalIF":3.1,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144523067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Path planning of complex environment based on hyper view ant colony algorithm","authors":"Junqi Yang,&nbsp;Feiyang Liu,&nbsp;Hongwei Zhang","doi":"10.1016/j.jocs.2025.102658","DOIUrl":"10.1016/j.jocs.2025.102658","url":null,"abstract":"<div><div>A hyper view ant colony algorithm is developed to deal with the issues of sluggish convergence and poor search ability of traditional ant colony algorithms in complex environments. The concept of hyper view ant and view selection mechanism are first introduced in the enhanced ant colony algorithm. Dijkstra algorithm is used to determine the optimal path for the reachable node set of hyper view ants, where the state transition is accomplished using the designed pheromone calculation method. In addition, this paper creates an ant knowledge database and introduces it into the state transition type, which makes the information communication between ants more adequate. The knowledge database will be updated via historical path, and its value will be adaptively loaded. Then, an ant view atrophy mechanism is developed to balance the time efficiency of the proposed algorithm, and a pheromone compensation method is given to ensure the adsorption of algorithm to optimal path. Finally, by the experiments in various complex environments, the statistics of different performance parameters show that the results of the proposed algorithm in this paper are better than the ones of the existing algorithms including traditional ant colony algorithm.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102658"},"PeriodicalIF":3.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144489414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A pseudospectral method for time-fractional PDEs with shifted Chebyshev and Lagrange interpolating polynomials on overlapping decomposed domains","authors":"Nancy Mukwevho ,&nbsp;Olumuyiwa Otegbeye ,&nbsp;Shina Daniel Oloniiju","doi":"10.1016/j.jocs.2025.102654","DOIUrl":"10.1016/j.jocs.2025.102654","url":null,"abstract":"<div><div>Time-fractional partial differential equations (TFPDEs) are powerful mathematical tools for modeling a wide range of physical and biological phenomena that exhibit memory effects, anomalous diffusion and non-local behavior. These classes of equations are crucial in capturing dynamics where the influence of past states affects future evolution, making them essential in many areas of applied science, such as heat transfer, viscoelasticity and anomalous diffusion. This study proposes a pseudospectral method that combines the weighted sums of the Chebyshev and Lagrange polynomials to numerically approximate the solutions of TFPDEs. The spatial domain is partitioned into uniform, overlapping subdomains, where the solution in each subdomain is represented as a weighted sum of the Lagrange interpolating polynomials. On the other hand, the time domain is treated as a whole without decomposition, and the solution in the temporal dimension is expanded using the first-kind shifted Chebyshev polynomials. We validate the accuracy and performance of the method through a series of test cases, covering both linear and nonlinear TFPDEs in one and multiple spatial dimensions. These examples showcase the method’s capability to handle the computational challenges associated with TFPDEs and underline its potential for broader applications in problems involving fractional dynamics. Specifically, the proposed technique is applied to resolve TFPDE, which models heat transfer on a disk, a problem relevant to modeling heat conduction in circular plates and semiconductor wafers. A time-dependent Gaussian heat source concentrated in a specific region of the disk is introduced to accurately simulate practical thermal diffusion dynamics. The gradual increase of the source term over time offers a more realistic representation of the evolving thermal diffusion process.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102654"},"PeriodicalIF":3.1,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144489413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pell wavelet-optimization procedure for two classes of fractional partial differential equations with nonlocal boundary conditions","authors":"Sedigheh Sabermahani ,&nbsp;Parisa Rahimkhani ,&nbsp;Yadollah Ordokhani","doi":"10.1016/j.jocs.2025.102655","DOIUrl":"10.1016/j.jocs.2025.102655","url":null,"abstract":"<div><div>Studying initial value problems with nonlocal conditions is important because they have applications in physics and other areas of applied mathematics. This manuscript presents a hybrid scheme for solving two classes of fractional partial differential equations with nonlocal boundary conditions (N-BCs), namely fractional-order reaction–diffusion equations (F-RDEs), and fractional-order hyperbolic partial differential equations (FH-PDEs). We develop a new computational technique that employs Pell wavelet functions. To this end, we present a derivative pseudo-operational matrix and an extra pseudo-operational matrix for integral and Riemann–Liouville fractional integration and design the desired method with the help of optimization and collocation methods. The systems resulting from this technique are solved using the FindRoot package in Mathematica software. We also perform several numerical experiments to validate the accuracy and superiority of the suggested strategy.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102655"},"PeriodicalIF":3.1,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational science: Guiding the way towards a sustainable society","authors":"Sergey V. Kovalchuk,&nbsp;Clélia de Mulatier,&nbsp;Valeria V. Krzhizhanovskaya,&nbsp;Leonardo Franco,&nbsp;Maciej Paszyński,&nbsp;Jack Dongarra,&nbsp;Peter M.A. Sloot","doi":"10.1016/j.jocs.2025.102663","DOIUrl":"10.1016/j.jocs.2025.102663","url":null,"abstract":"","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102663"},"PeriodicalIF":3.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unique analytical scheme for Fokker-Planck equation by the Matching polynomials of complete graph","authors":"Nirmala AN.,&nbsp;Kumbinarasaiah S.","doi":"10.1016/j.jocs.2025.102657","DOIUrl":"10.1016/j.jocs.2025.102657","url":null,"abstract":"<div><div>The article explores the feasibility of the graph-theoretic polynomial strategy to address the Fokker-Planck equation (FPE) employing a unique Matching Polynomial Collocation Method. Adriaan Fokker and Max Planck invented the FPE in the early twentieth century to characterize Brownian motion, and it has since grown into a cornerstone of stochastic process analysis, featuring significance in physics, biology, and economics. MPCM constructs an innovative functional matrix of integration leveraging the functional basis of matching polynomials of complete graphs, successfully translating the FPE into a system of algebraic equations with equipped collocation points. Newton's Raphson method follows to solve the consequent nonlinear algebraic equations. The proposed approach efficiently fixes technical challenges intrinsic to the FPE, including discretization errors, nonlinear encounters, substantial dimensionality, boundary conditions, stiffness, and computing costs. Illustrative samples spanning linear and nonlinear FPEs reflect MPCM's precision, computational efficacy, and versatility, with findings being consistent with well-established numerical and analytical strategies. The investigation highlights MPCM's potential as a resilient, versatile tool, paving the way for prospective studies into higher-dimensional issues and potential uses in various empirical fields, including quantum physics, demographic dynamics, and economic modeling.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102657"},"PeriodicalIF":3.1,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144480561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Bernstein–Bézier finite element method with perfectly matched layer for refraction and diffraction of waves in coastal regions","authors":"Saloua El Marri ,&nbsp;Abdellah El Kacimi ,&nbsp;Nabil El Moçayd ,&nbsp;Mohammed Seaid","doi":"10.1016/j.jocs.2025.102641","DOIUrl":"10.1016/j.jocs.2025.102641","url":null,"abstract":"<div><div>The aim of this paper is to effectively solve wave problems, governed by the linear elliptic mild-slope equation, on unstructured triangular meshes based on the Bernstein–Bézier finite element method. The present model takes into account non-uniform bathymetry and enables to accurately describe wave agitation problems and it copes with the pollution effect. A domain truncation method relying on the Perfectly Matched Layer (PML) concept is performed to address the issues related to open region domains. The proposed PML model uses a non-standard weak form of the truncated mild-slope equation to handle the incident wave field weakly and takes into account external bathymetry effects. A low-complexity procedure, exploiting the tensorial property of Bernstein polynomials in conjunction with the sum factorization method, is applied to set up the local high-order finite element matrices. Additionally, static condensation is applied element-wise to reduce the memory requirements. To avoid further sources of errors due to the interpolation of geometry, an accurate description of curved elements is adopted based on a blending map method. An analysis of <span><math><mi>h</mi></math></span>-convergence using radial PML is conducted by investigating a wave scattering problem by a circular island, where the bathymetry is initially assumed to be constant, and then including a parabolic shoal. The conditioning of the system matrix is also analyzed. The results clearly demonstrate that Bernstein–Bézier finite element method with radial PML considerably reduces memory requirements while maintaining targeted accuracy. A comparison study in the case of constant bathymetry shows that both radial and Cartesian PMLs yield similar performance in terms of accuracy. To further assess the efficiency of our model, a benchmark dealing with wave scattering by an elliptical shoal is investigated to demonstrate the performance of Cartesian PML with exterior bathymetry effects. Our numerical results are therefore compared with available experimental data as well as those found in the literature.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102641"},"PeriodicalIF":3.1,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preconditioned CG and GMRES for interior point methods with applications in radiation therapy","authors":"Felix Liu ,&nbsp;Måns I. Andersson ,&nbsp;Albin Fredriksson ,&nbsp;Stefano Markidis","doi":"10.1016/j.jocs.2025.102652","DOIUrl":"10.1016/j.jocs.2025.102652","url":null,"abstract":"<div><div>Interior point methods (IPMs) are widely used for different types of mathematical optimization problems. Many implementations of IPMs in use today rely on direct linear solvers to solve systems of equations in each iteration. The need to solve ever larger optimization problems more efficiently and the rise of hardware accelerators for general-purpose computing has led to much interest in using iterative linear solvers instead, though inevitable ill-conditioning of the linear systems remains a challenge. We investigate the use of the Krylov solvers CG, MINRES and GMRES for IPMs applied to optimization problems from radiation therapy. We implement a prototype IPM for convex quadratic programs and consider two different preconditioning strategies depending on the characteristics of the problem. One where a doubly augmented re-formulation of the Karush–Kuhn–Tucker linear system, originally proposed by Forsgren and Gill, is used together with a Jacobi-preconditioned conjugate gradient solver, and another with constraint preconditioning applied to a symmetric indefinite formulation of the linear system. Our results indicate that the proposed formulation provides sufficient accuracy. Furthermore, profiling of our prototype code shows that it is suitable for GPU acceleration, which may further improve its performance. The constraint preconditioner is shown to work well for cases with few, dense linear constraints, with a substantial improvement in linear solver convergence compared to the doubly augmented version. Our results indicate that our method can find solutions of acceptable accuracy in reasonable time for realistic problems from radiation therapy, as well as a simple test problem from support vector machine training. This is an extended version of a conference paper presented at the International Conference for Computational Science 2024 (Málaga, Spain) (Liu et al. 2024).</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"90 ","pages":"Article 102652"},"PeriodicalIF":3.1,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}