In this work, an efficient blackbox-type multigrid method is proposed for solving multipoint flux approximations of the Darcy problem on logically rectangular grids. The approach is based on a cell-centered multigrid algorithm, which combines a piecewise constant interpolation and the restriction operator by Wesseling/Khalil with a line-wise relaxation procedure. A local Fourier analysis is performed for the case of a Cartesian uniform grid. The method shows a robust convergence for different full tensor coefficient problems and several rough quadrilateral grids.
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The present study introduces an advanced multi-physics and multi-scale modeling approach to investigate in silico colon motility. We introduce a generalized electromechanical framework, integrating cellular electrophysiology and smooth muscle contractility, thus advancing a first-of-its-kind computational model of laser tissue soldering after incision resection. The proposed theoretical framework comprises three main elements: a microstructural material model describing intestine wall geometry and composition of reinforcing fibers, with four fiber families, two active-conductive and two passive; an electrophysiological model describing the propagation of slow waves, based on a fully-coupled nonlinear phenomenological approach; and a thermodynamical consistent mechanical model describing the hyperelastic energetic contributions ruling tissue equilibrium under diverse loading conditions. The active strain approach was adopted to describe tissue electromechanics by exploiting the multiplicative decomposition of the deformation gradient for each active fiber family and solving the governing equations via a staggered finite element scheme. The computational framework was fine-tuned according to state-of-the-art experimental evidence, and extensive numerical analyses allowed us to compare manometric traces computed via numerical simulations with those obtained clinically in human patients. The model proved capable of reproducing both qualitatively and quantitatively high or low-amplitude propagation contractions. Colon motility after laser tissue soldering demonstrates that material properties and couplings of the deposited tissue are critical to reproducing a physiological muscular contraction, thus restoring a proper peristaltic activity.
We present a method for end-to-end learning of Koopman surrogate models for optimal performance in control. In contrast to previous contributions that employ standard reinforcement learning (RL) algorithms, we use a training algorithm that exploits the potential differentiability of environments based on mechanistic simulation models. We evaluate the performance of our method by comparing it to that of other controller type and training algorithm combinations on a literature known eNMPC case study. Our method exhibits superior performance on this problem, thereby constituting a promising avenue towards more capable controllers that employ dynamic surrogate models.
We formulate a uniform tail bound for empirical processes indexed by a class of functions, in terms of the individual deviations of the functions rather than the worst-case deviation in the considered class. The tail bound is established by introducing an initial "deflation" step to the standard generic chaining argument. The resulting tail bound is the sum of the complexity of the "deflated function class" in terms of a generalization of Talagrand's $\gamma$ functional, and the deviation of the function instance, both of which are formulated based on the natural seminorm induced by the corresponding Cram\'{e}r functions. We also provide certain approximations for the mentioned seminorm when the function class lies in a given (exponential type) Orlicz space, that can be used to make the complexity term and the deviation term more explicit.
We develop a new coarse-scale approximation strategy for the nonlinear single-continuum Richards equation as an unsaturated flow over heterogeneous non-periodic media, using the online generalized multiscale finite element method (online GMsFEM) together with deep learning. A novelty of this approach is that local online multiscale basis functions are computed rapidly and frequently by utilizing deep neural networks (DNNs). More precisely, we employ the training set of stochastic permeability realizations and the computed relating online multiscale basis functions to train neural networks. The nonlinear map between such permeability fields and online multiscale basis functions is developed by our proposed deep learning algorithm. That is, in a new way, the predicted online multiscale basis functions incorporate the nonlinearity treatment of the Richards equation and refect any time-dependent changes in the problem's properties. Multiple numerical experiments in two-dimensional model problems show the good performance of this technique, in terms of predictions of the online multiscale basis functions and thus finding solutions.
This article presents MuMFiM, an open source application for multiscale modeling of fibrous materials on massively parallel computers. MuMFiM uses two scales to represent fibrous materials such as biological network materials (extracellular matrix, connective tissue, etc.). It is designed to make use of multiple levels of parallelism, including distributed parallelism of the macro and microscales as well as GPU accelerated data-parallelism of the microscale. Scaling results of the GPU accelerated microscale show that solving microscale problems concurrently on the GPU can lead to a 1000x speedup over the solution of a single RVE on the GPU. In addition, we show nearly optimal strong and weak scaling results of MuMFiM on up to 128 nodes of AiMOS (Rensselaer Polytechnic Institute) which is composed of IBM AC922 nodes with 6 Volta V100 GPU and 2 20 core Power 9 CPUs each. We also show how MuMFiM can be used to solve problems of interest to the broader engineering community, in particular providing an example of the facet capsule ligament (FCL) of the human spine undergoing uniaxial extension.
The subject of this work is an adaptive stochastic Galerkin finite element method for parametric or random elliptic partial differential equations, which generates sparse product polynomial expansions with respect to the parametric variables of solutions. For the corresponding spatial approximations, an independently refined finite element mesh is used for each polynomial coefficient. The method relies on multilevel expansions of input random fields and achieves error reduction with uniform rate. In particular, the saturation property for the refinement process is ensured by the algorithm. The results are illustrated by numerical experiments, including cases with random fields of low regularity.
We propose a material design method via gradient-based optimization on compositions, overcoming the limitations of traditional methods: exhaustive database searches and conditional generation models. It optimizes inputs via backpropagation, aligning the model's output closely with the target property and facilitating the discovery of unlisted materials and precise property determination. Our method is also capable of adaptive optimization under new conditions without retraining. Applying to exploring high-Tc superconductors, we identified potential compositions beyond existing databases and discovered new hydrogen superconductors via conditional optimization. This method is versatile and significantly advances material design by enabling efficient, extensive searches and adaptability to new constraints.
Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.
We present a novel framework for the development of fourth-order lattice Boltzmann schemes to tackle multidimensional nonlinear systems of conservation laws. Our numerical schemes preserve two fundamental characteristics inherent in classical lattice Boltzmann methods: a local relaxation phase and a transport phase composed of elementary shifts on a Cartesian grid. Achieving fourth-order accuracy is accomplished through the composition of second-order time-symmetric basic schemes utilizing rational weights. This enables the representation of the transport phase in terms of elementary shifts. Introducing local variations in the relaxation parameter during each stage of relaxation ensures the entropic nature of the schemes. This not only enhances stability in the long-time limit but also maintains fourth-order accuracy. To validate our approach, we conduct comprehensive testing on scalar equations and systems in both one and two spatial dimensions.
Regent is an implicitly parallel programming language that allows the development of a single codebase for heterogeneous platforms targeting CPUs and GPUs. This paper presents the development of a parallel meshfree solver in Regent for two-dimensional inviscid compressible flows. The meshfree solver is based on the least squares kinetic upwind method. Example codes are presented to show the difference between the Regent and CUDA-C implementations of the meshfree solver on a GPU node. For CPU parallel computations, details are presented on how the data communication and synchronisation are handled by Regent and Fortran+MPI codes. The Regent solver is verified by applying it to the standard test cases for inviscid flows. Benchmark simulations are performed on coarse to very fine point distributions to assess the solver's performance. The computational efficiency of the Regent solver on an A100 GPU is compared with an equivalent meshfree solver written in CUDA-C. The codes are then profiled to investigate the differences in their performance. The performance of the Regent solver on CPU cores is compared with an equivalent explicitly parallel Fortran meshfree solver based on MPI. Scalability results are shown to offer insights into performance.
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