Jijing Zhao , Huangxin Chen , Mingchao Cai , Shuyu Sun
{"title":"An optimally convergent parallel splitting algorithm for the multiple-network poroelasticity model","authors":"Jijing Zhao , Huangxin Chen , Mingchao Cai , Shuyu Sun","doi":"10.1016/j.jcp.2025.114214","DOIUrl":"10.1016/j.jcp.2025.114214","url":null,"abstract":"<div><div>This paper presents a novel parallel splitting algorithm for solving quasi-static multiple-network poroelasticity (MPET) equations. By introducing a total pressure variable, the MPET system can be reformulated into a coupled Stokes-parabolic system. To efficiently solve this system, we propose a parallel splitting approach. In the first time step, a monolithic solver is used to solve all variables simultaneously. For subsequent time steps, the system is split into a Stokes subproblem and a parabolic subproblem. These subproblems are then solved in parallel using a stabilization technique. This parallel splitting approach differs from sequential or iterative decoupling, reducing computational time. The algorithm is proven to be unconditionally stable, optimally convergent, and robust across various parameter settings. These theoretical results are confirmed by numerical experiments. We also apply this parallel algorithm to simulate fluid-tissue interactions within the physiological environment of the human brain.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114214"},"PeriodicalIF":3.8,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A model-consistent data-driven computational strategy for PDE joint inversion problems","authors":"Kui Ren , Lu Zhang","doi":"10.1016/j.jcp.2025.114232","DOIUrl":"10.1016/j.jcp.2025.114232","url":null,"abstract":"<div><div>The task of simultaneously reconstructing multiple physical coefficients in partial differential equations (PDEs) from observed data is ubiquitous in applications. In this work, we propose an integrated data-driven and model-based iterative reconstruction framework for such joint inversion problems where additional data on the unknown coefficients are supplemented for better reconstructions. Our method couples the supplementary data with the PDE model to make the data-driven modeling process consistent with the model-based reconstruction procedure. This coupling strategy allows us to characterize the impact of learning uncertainty on the joint inversion results for two typical inverse problems. Numerical evidence is provided to demonstrate the feasibility of using data-driven models to improve the joint inversion of multiple coefficients in PDEs.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114232"},"PeriodicalIF":3.8,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144631821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jean Panaioti Jordanou , Eduardo Camponogara , Eduardo Gildin
{"title":"Identifying large-scale linear parameter varying systems with dynamic mode decomposition methods","authors":"Jean Panaioti Jordanou , Eduardo Camponogara , Eduardo Gildin","doi":"10.1016/j.jcp.2025.114230","DOIUrl":"10.1016/j.jcp.2025.114230","url":null,"abstract":"<div><div>Linear Parameter Varying (LPV) Systems are a well-established class of nonlinear systems with a rich theory for stability analysis, control, and analytical response finding, among other aspects. Although there are works on data-driven identification of such systems, the literature is quite scarce regarding the identification of LPV models for large-scale systems. Since large-scale systems are ubiquitous in practice, this work develops a methodology for the local and global identification of large-scale LPV systems based on nonintrusive reduced-order modeling. The developed method is coined as DMD-LPV for being inspired in the Dynamic Mode Decomposition (DMD). To validate the proposed identification method, we identify a system described by a discretized linear diffusion equation, with the diffusion gain defined by a polynomial over a parameter. The experiments show that the proposed method can easily identify a reduced-order LPV model of a given large-scale system without the need to perform identification in the full-order dimension, and with almost no performance decay over performing a reduction, given that the model structure is well-established.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114230"},"PeriodicalIF":3.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144633696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Control of high-dimensional collective dynamics by deep neural feedback laws and kinetic modelling","authors":"Giacomo Albi , Sara Bicego , Dante Kalise","doi":"10.1016/j.jcp.2025.114229","DOIUrl":"10.1016/j.jcp.2025.114229","url":null,"abstract":"<div><div>Modeling and control of agent-based models is twice cursed by the dimensionality of the problem, as both the number of agents and their state space dimension can be large. Even though the computational barrier posed by a large ensemble of agents can be overcome through a mean field formulation of the control problem, the feasibility of its solution is generally guaranteed only for agents operating in low-dimensional spaces. To circumvent the difficulty posed by the high dimensionality of the state space a kinetic model is proposed, requiring the sampling of high-dimensional, two-agent sub-problems, to evolve the agents’ density using a Boltzmann type equation. Such density evolution requires a high-frequency sampling of two-agent optimal control problems, which is efficiently approximated by means of deep neural networks and supervised learning, enabling the fast simulation of high-dimensional, large-scale ensembles of controlled particles. Numerical experiments demonstrate the effectiveness of the proposed approach in the control of consensus and attraction-repulsion dynamics.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114229"},"PeriodicalIF":3.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jorge Gidi , Paula García-Molina , Luca Tagliacozzo , Juan José García-Ripoll
{"title":"Pseudospectral method for solving PDEs using matrix product states","authors":"Jorge Gidi , Paula García-Molina , Luca Tagliacozzo , Juan José García-Ripoll","doi":"10.1016/j.jcp.2025.114228","DOIUrl":"10.1016/j.jcp.2025.114228","url":null,"abstract":"<div><div>This research focuses on solving time-dependent partial differential equations (PDEs), in particular the time-dependent Schrödinger equation, using matrix product states (MPS). We propose an extension of Hermite Distributed Approximating Functionals (HDAF) to MPS, a highly accurate pseudospectral method for approximating functions of derivatives. Integrating HDAF into an MPS finite precision algebra, we test four types of quantum-inspired algorithms for time evolution: explicit Runge-Kutta methods, Crank-Nicolson method, explicitly restarted Arnoldi iteration and split-step. The benchmark problem is the expansion of a particle in a quantum quench, characterized by a rapid increase in space requirements, where HDAF surpasses traditional finite difference methods in accuracy with a comparable cost. Moreover, the efficient HDAF approximation to the free propagator avoids the need for Fourier transforms in split-step methods, significantly enhancing their performance with an improved balance in cost and accuracy. Both approaches exhibit similar error scaling and run times compared to FFT vector methods; however, MPS offer an exponential advantage in memory, overcoming vector limitations to enable larger discretizations and expansions. Finally, the MPS HDAF split-step method successfully reproduces the physical behavior of a particle expansion in a double-well potential, demonstrating viability for actual research scenarios.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114228"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144631822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mengjie Zhao , Marc Gerritsma , Mohammed Al Kobaisi , Hadi Hajibeygi
{"title":"Algebraic dynamic multilevel (ADM) method for CO2 storage in heterogeneous saline aquifers","authors":"Mengjie Zhao , Marc Gerritsma , Mohammed Al Kobaisi , Hadi Hajibeygi","doi":"10.1016/j.jcp.2025.114202","DOIUrl":"10.1016/j.jcp.2025.114202","url":null,"abstract":"<div><div>This work introduces a novel application of the Algebraic Dynamic Multilevel (ADM) method for simulating CO<sub>2</sub> storage in deep saline aquifers. By integrating a fully implicit coupling strategy, fully compositional thermodynamics, and adaptive mesh refinement, the ADM framework effectively models phenomena such as buoyancy-driven migration, convective dissolution, and phase partitioning under various subsurface conditions. The method starts with the construction of a hierarchy of multilevel grids and the generation of localized multiscale basis functions, which account for heterogeneities at each coarse level. During the simulation, the ADM method dynamically refines areas with significant overall CO<sub>2</sub> mass fraction gradients while coarsening smooth regions, thus optimizing computational resources without compromising the accuracy required to capture essential flow and transport characteristics. This dynamic grid adjustment is facilitated by algebraic prolongation and restriction operators, which map the fine-scale system onto a coarser grid suited to the evolving distribution of the CO<sub>2</sub> plume. This feature allows the ADM to navigate various coarsening thresholds efficiently, striking a trade-off between computational economy and detailed simulation accuracy. Even at relatively higher thresholds, key trapping mechanisms are captured with sufficient detail for quantification. These capabilities make the ADM framework well suited for long-term CO<sub>2</sub> sequestration in highly heterogeneous reservoirs, where large-scale models may otherwise become impractically expensive, offering a practical balance between the need for detailed simulations and manageable computational requirements. Overall, the ADM framework proves to be a robust tool for designing, monitoring, and analyzing large-scale CO<sub>2</sub> storage operations, supporting reliable and cost-effective solutions in carbon management.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114202"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Recursive sparse LU decomposition based on nested dissection and low rank approximations","authors":"Xuanru Zhu, Jun Lai","doi":"10.1016/j.jcp.2025.114231","DOIUrl":"10.1016/j.jcp.2025.114231","url":null,"abstract":"<div><div>When solving partial differential equations (PDEs) using finite difference or finite element methods, efficient solvers are required for handling large sparse linear systems. In this paper, a recursive sparse LU decomposition for matrices arising from the discretization of linear PDEs is proposed based on the nested dissection and low rank approximations. The matrix is reorganized based on the nested structure of the associated graph. After eliminating the interior vertices at the finest level, dense blocks on the separators are hierarchically sparsified using low rank approximations. To efficiently skeletonize these dense blocks, we split the separators into segments and introduce a hybrid algorithm to extract the low rank structures based on a randomized algorithm and the fast multipole method. The resulting decomposition yields a fast direct solver for sparse matrices, applicable to both symmetric and non-symmetric cases. Under a mild assumption on the compression rate of dense blocks, we prove an <span><math><mrow><mi>O</mi><mo>(</mo><mi>N</mi><mo>)</mo></mrow></math></span> complexity for the fast direct solver. Several numerical experiments are provided to verify the effectiveness of the proposed method.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114231"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144611753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A linearly implicit shock capturing scheme for compressible two-phase flows at all Mach numbers","authors":"Beatrice Battisti , Walter Boscheri","doi":"10.1016/j.jcp.2025.114227","DOIUrl":"10.1016/j.jcp.2025.114227","url":null,"abstract":"<div><div>We present a semi-implicit solver for the solution of compressible two-phase flows governed by the Baer–Nunziato model. A novel linearly implicit discretization is proposed for the pressure fluxes as well as for the relaxation source terms, whereas an explicit scheme is retained for the nonlinear convective contributions. Consequently, the CFL-type stability condition on the maximum admissible time step is based only on the mean flow velocity and not on the sound speed of each phase, so that the novel scheme works uniformly for all Mach numbers. Central finite difference operators on Cartesian grids are adopted for the implicit terms, thus avoiding any need of numerical diffusion that might destroy accuracy in the low Mach number regime. To comply with high Mach number flows, shock capturing finite volume schemes are employed for the approximation of the convective fluxes. The discretization of the non-conservative terms ensures the preservation of moving equilibrium solutions, making the new method well-balanced. The new scheme is also proven to be asymptotic preserving in the low Mach limit of the mixture model. Second order of accuracy is achieved by means of an implicit-explicit (IMEX) time stepping algorithm combined with a total variation diminishing (TVD) reconstruction technique. The novel method is benchmarked against a set of test cases involving different Mach number regimes, permitting to validate both accuracy and robustness.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114227"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144605924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Solving continuum and rarefied flows using differentiable programming","authors":"Tianbai Xiao","doi":"10.1016/j.jcp.2025.114224","DOIUrl":"10.1016/j.jcp.2025.114224","url":null,"abstract":"<div><div>Accurate and efficient prediction of multi-scale flows remains a formidable challenge. Constructing theoretical models and numerical methods often involves the design and optimization of parameters. While gradient descent methods have been mainly manifested to shine in the wave of deep learning, composable automatic differentiation can advance scientific computing where the application of classical adjoint methods alone is infeasible or cumbersome. Differentiable programming provides a novel paradigm that unifies data structures and control flows and facilitates gradient-based optimization of parameters in a computer program. This paper addresses the notion and implementation of the first solution algorithm for multi-scale flow physics across continuum and rarefied regimes based on differentiable programming. The fully differentiable simulator provides a unified framework for the convergence of computational fluid dynamics and machine learning, i.e., scientific machine learning. Specifically, parameterized flow models and numerical methods can be constructed for forward physical processes, while the parameters can be trained on the fly with the help of the gradients that are taken through the backward passes of the whole simulation program, a.k.a., end-to-end optimization. As a result, versatile data-augmented modeling and simulation can be achieved for physics discovery, surrogate modeling, and simulation acceleration. The fundamentals and implementation of the solution algorithm are demonstrated in detail. Numerical experiments, including forward and inverse problems for hydrodynamic and kinetic equations, are presented to demonstrate the performance of the numerical method. The open-source codes to reproduce the numerical results are available under the MIT license.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114224"},"PeriodicalIF":3.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144605923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"High order treatment of moving curved boundaries: Arbitrary-Lagrangian-Eulerian methods with a shifted boundary polynomial correction","authors":"Walter Boscheri , Mirco Ciallella","doi":"10.1016/j.jcp.2025.114215","DOIUrl":"10.1016/j.jcp.2025.114215","url":null,"abstract":"<div><div>In this paper we present a novel approach for the prescription of high order boundary conditions when approximating the solution of the Euler equations for compressible gas dynamics on curved moving domains. When dealing with curved boundaries, the consistency of boundary conditions is a real challenge, and it becomes even more challenging in the context of moving domains discretized with high order Arbitrary-Lagrangian-Eulerian (ALE) schemes. The ALE formulation is particularly well-suited for handling moving and deforming domains, thus allowing for the simulation of complex fluid-structure interaction problems. However, if not properly treated, the imposition of boundary conditions can lead to significant errors in the numerical solution, which can spoil the high order discretization of the underlying mathematical model. In order to tackle this issue, we propose a new method based on the recently developed shifted boundary polynomial correction, which was originally proposed in the discontinuous Galerkin (DG) framework on fixed meshes. The new method is integrated into the space-time corrector step of a direct ALE finite volume method to account for the local curvature of the moving boundary by only exploiting the high order reconstruction polynomial of the finite volume control volume. It relies on a correction based on the extrapolated value of the cell polynomial evaluated at the true geometry, thus not requiring the explicit evaluation of high order Taylor series. This greatly simplifies the treatment of moving curved boundaries, as it allows for the use of standard simplicial meshes, which are much easier to generate and move than curvilinear ones, especially for 3D time-dependent problems. Several numerical experiments are presented demonstrating the high order convergence properties of the new method in the context of compressible flows in moving curved domains, which remain approximated by piecewise linear elements.</div></div>","PeriodicalId":352,"journal":{"name":"Journal of Computational Physics","volume":"539 ","pages":"Article 114215"},"PeriodicalIF":3.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144672526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}