MOX Reports
The preprint collection of the Laboratory for Modeling and Scientific Computation MOX. It mainly contains works on numerical
analysis and mathematical modeling applied to engineering problems. MOX web site is mox.polimi.it
Found 1308 products
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88/2024 - 11/09/2024
Regazzoni, F.; Poggesi, C.; Ferrantini, C.
Elucidating the cellular determinants of the end-systolic pressure-volume relationship of the heart via computational modelling | Abstract | | The left ventricular end-systolic pressure-volume relationship (ESPVr) is a key indicator of cardiac contractility. Despite its established importance, several studies suggested that the mechanical mode of contraction, such as isovolumetric or ejecting contractions, may affect the ESPVr, challenging the traditional notion of a single, consistent relationship. Furthermore, it remains unclear whether the observed effects of ejection on force generation are inherent to the ventricular chamber itself or are a fundamental property of the myocardial tissue, with the underlying mechanisms remaining poorly understood. We investigated these aspects by using a multiscale in silico model that allowed us to elucidate the links between subcellular mechanisms and organ-level function. Simulations of ejecting and isovolumetric beats with different preload and afterload resistance were performed by modulating calcium and cross-bridge kinetics. The results suggest that the ESPVr is not a fixed curve but depends on the mechanical history of the contraction, with potentially both positive and negative effects of ejection. Isolated tissue simulations suggest that these phenomena are intrinsic to the myocardial tissue, rather than properties of the ventricular chamber. Our results suggest that the ESPVr results from the balance of positive and negative effects of ejection, respectively related to a memory effect of the increased apparent calcium sensitivity at high sarcomere length, and to the inverse relationship between force and velocity. Numerical simulations allowed us to reconcile conflicting results in the literature and suggest translational implications for clinical conditions such as hypertrophic cardiomyopathy, where altered calcium dynamics and cross-bridge kinetics may impact the ESPVr. |
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90/2024 - 11/09/2024
Tomasetto, M.; Arnone, E.; Sangalli, L.M.
Modeling anisotropy and non-stationarity through physics-informed spatial regression | Abstract | | Many spatially dependent phenomena, that are of interest in environmental problems, are characterized by strong anisotropy and non-stationarity. Moreover, the data are often observed over regions with complex conformations, such as water bodies with complicated shorelines, or regions with complex orography. Furthermore, the distribution of the data locations may be strongly inhomogeneous over space. These issues may challenge popular approaches to spatial data analysis. In this work, we show how we can accurately address these issues by spatial regression with differential regularization. We model the spatial variation by a Partial Differential Equation (PDE), defined upon the considered spatial domain. This PDE may depend upon some unknown parameters, that we estimate from the data, through an appropriate profiling estimation approach. The PDE may encode some available problem-specific information on the considered phenomenon, and permits a rich modeling of anisotropy and non-stationarity. The performances of the proposed approach are compared to competing methods, through simulation studies and real data applications. In particular, we analyse rainfall data over Switzerland, characterized by strong anisotropy, and oceanographic data in the Gulf of Mexico, characterized by non-stationarity due to the Gulf Stream.
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83/2024 - 11/08/2024
Conti, P.; Guo, M.; Manzoni, A.; Frangi, A.; Brunton, S. L.; Kutz, J.N.
Multi-fidelity reduced-order surrogate modelling | Abstract | | High-fidelity numerical simulations of partial differential equations (PDEs) given a restricted computational budget can significantly limit the number of parameter configurations considered and/or time window evaluated. Multi-fidelity surrogate modelling aims to leverage less accurate, lower-fidelity models that are computationally inexpensive in order to enhance predictive accuracy when high-fidelity data are scarce. However, low-fidelity models, while often displaying the qualitative solution behaviour, fail to accurately capture fine spatio temporal and dynamic features of high-fidelity models. To address this shortcoming, we present a data-driven strategy that combines dimensionality reduction with multi-fidelity neural network surrogates. The key idea is to generate a spatial basis by applying proper orthogonal decomposition (POD) to high-fidelity solution snapshots, and approximate the dynamics of the reduced states - time-parameter-dependent expansion coefficients of the POD basis - using a multi-fidelity long short-term memory network. By mapping low-fidelity reduced states to their high-fidelity counterpart, the proposed reduced-order surrogate model enables the efficient recovery of full solution fields over time and parameter variations in a non-intrusive manner. The generality of this method is demonstrated by a collection of PDE problems where the low-fidelity model can be defined by coarser meshes and/or time stepping, as well as by misspecified physical features. |
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82/2024 - 11/08/2024
Rosafalco, L.; Conti, P.; Manzoni, A.; Mariani, S.; Frangi, A.
EKF-SINDy: Empowering the extended Kalman filter with sparse identification of nonlinear dynamics | Abstract | | Measured data from a dynamical system can be assimilated into a predictive model by means of Kalman filters. Nonlinear extensions of the Kalman filter, such as the Extended Kalman Filter (EKF), are required to enable the joint estimation of (possibly nonlinear) system dynamics and of input parameters. To construct the evolution model used in the prediction phase of the EKF, we propose to rely on the Sparse Identification of Nonlinear Dynamics (SINDy). SINDy enables to identify the evolution model directly from preliminary acquired data, thus avoiding possible bias due to wrong assumptions and incorrect modelling of the system dynamics. Moreover, the numerical integration of a SINDy model leads to great computational savings compared to alternate strategies based on, e.g., finite elements. Last, SINDy allows an immediate definition of the Jacobian matrices required by the EKF to identify system dynamics and properties, a derivation that is usually extremely involved with physical models. As a result, combining the EKF with SINDy provides a data-driven computationally efficient, easy-to-apply approach for the identification of nonlinear systems, capable of robust operation even outside the range of training of SINDy. To demonstrate the potential of the approach, we address the identification of a linear non-autonomous system consisting of a shear building model excited by real seismograms, and the identification of a partially observed nonlinear system. The challenge arising from the use of SINDy when the system state is not entirely accessible has been relieved by means of time-delay embedding. The great accuracy and the small uncertainty associated with the state identification, where the state has been augmented to include system properties, underscores the great potential of the proposed strategy, paving the way for the setting of predictive digital twins in different fields. |
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80/2024 - 11/04/2024
Crippa, B.; Scotti, A.; Villa, A
Numerical Solution of linear drift-diffusion and pure drift equations on one-dimensional graphs | Abstract | | We propose numerical schemes for the approximate solution of problems defined on the edges of a one-dimensional graph. In particular, we consider linear transport and a drift-diffusion equations, and discretize them by extending Finite Volume schemes with upwind flux to domains presenting bifurcation nodes with an arbitrary number of incoming and outgoing edges, and implicit time discretization. We show that the discrete problems admit positive unique solutions, and we test the methods on the intricate geometry of an electrical treeing. |
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79/2024 - 10/28/2024
Baioni, P.J.; Benacchio, T.; Capone, L.; de Falco, C.
Portable, Massively Parallel Implementation of a Material Point Method for Compressible Flows | Abstract | | The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, pro- vided some critical aspects are properly handled, PIC methods can be cast in formulations suitable for the requirements of data locality and fine-grained parallelism of modern hardware accelerators such as Graphics Processing Units (GPUs). Such a rapid and continuous technological development increases also the importance of generic and portable implementations. While the capabilities of MPM on a wide range continuum mechanics problem have been already well as- sessed, the use of the method in compressible fluid dynamics has re- ceived less attention. In this paper we present a portable, highly par- allel, GPU based MPM solver for compressible gas dynamics. The implementation aims to reach a good compromise between porta- bility and efficiency in order to provide a first assessment of the potential of this approach in solving strongly compressible gas flow problems, also taking into account solid obstacles. The numerical model considered constitutes a first step towards the development of a monolithic MPM solver for Fluid-Structure Interaction (FSI) problems at all Mach numbers up to the supersonic regime. |
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78/2024 - 10/16/2024
Ziarelli, G.; Pagani, S.; Parolini, N.; Regazzoni, F.; Verani, M.
A model learning framework for inferring the dynamics of transmission rate depending on exogenous variables for epidemic forecasts | Abstract | | Recent advancements in scientific machine learning offer a promising framework to integrate data within epidemiological models, offering new opportunities for the implementation of tailored preventive measures and the mitigation of the risks associated with epidemic outbreaks. Among the many parameters to be calibrated and extrapolated in an epidemiological model, a special role is played by the transmission rate, whose inaccurate extrapolation can significantly impair the quality of the resulting forecasts. In this work, we aim to formalize a novel scientific machine learning framework to reconstruct the hidden dynamics of the transmission rate, by incorporating the influence of exogenous variables (such as environmental conditions and strain-specific characteristics). We propose an hybrid model that blends a data-driven layer with a physics-based one. The data-driven layer is based on a neural ordinary differential equation that learns the dynamics of the transmission rate, conditioned on the meteorological data and wave-specific latent parameters. The physics-based layer, instead, consists of a standard SEIR compartmental model, wherein the transmission rate represents an input. The learning strategy follows an end-to-end approach: the loss function quantifies the mismatch between the actual numbers of infections and its numerical prediction obtained from the SEIR model incorporating as an input the transmission rate predicted by the neural ordinary differential equation. We validate this novel approach using both a synthetic test case and a realistic test case based on meteorological data (temperature and humidity) and influenza data from Italy between 2010 and 2020. In both scenarios, we achieve low generalization error on the test set and observe strong alignment between the reconstructed model and established findings on the influence of meteorological factors on epidemic spread. Finally, we implement a data assimilation strategy to adapt the neural equation to the specific characteristics of an epidemic wave under investigation, and we conduct sensitivity tests on the network’s hyperparameters. |
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77/2024 - 10/16/2024
Piersanti, R.; Bradley, R.; Ali, S.Y.; Quarteroni A.; Dede', L; Trayanova, N.A.
Defining myocardial fiber bundle architecture in atrial digital twins | Abstract | | A key component in developing atrial digital twins (ADT) - virtual representations of patients’ atria - is the accurate prescription of myocardial fibers which are essential for the tissue characterization. Due to the difficulty of reconstructing atrial fibers from medical imaging, a widely used strategy for fiber generation in ADT relies on mathematical models. Existing methodologies utilze semi-automatic approaches, are tailored to specific morphologies, and lack rigorous validation against imaging fiber data. In this study, we introduce a novel atrial Laplace-Dirichlet-Rule-Based Method (LDRBM) for prescribing highly detailed myofiber orientations and providing robust regional annotation in bi-atrial morphologies of any complexity. The robustness of our approach is verified in eight extremely detailed bi-atrial geometries, derived from a sub-millimiter Diffusion-Tensor-Magnetic-Resonance Imaging (DTMRI) human atrial fiber dataset. We validate the LDRBM by quantitatively recreating each of the DTMRI fiber architectures: a comprehensive comparison with DTMRI ground truth data is conducted, investigating differences between electrophysiology (EP) simulations provided by either LDRBM and DTMRI fibers. Finally, we demonstrate that the novel LDRBM outperforms current state-of-the-art fiber models, confirming the exceptional accuracy of our methodology and the critical importance of incorporating detailed fiber orientations in EP simulations. Ultimately, this work represents a fundamental step toward the development of physics-based digital twins of the human atria, establishing a new standard for prescribing fibers in ADT. |
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