skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Data-driven Whitney forms for structure-preserving control volume analysis
Control volume analysis models physics via the exchange of generalized fluxes between subdomains. We introduce a scientific machine learning framework adopting a partition of unity architecture to identify physically-relevant control volumes, with generalized fluxes between subdomains encoded via Whitney forms. The approach provides a differentiable parameterization of geometry which may be trained in an end-to-end fashion to extract reduced models from full field data while exactly preserving physics. The architecture admits a data-driven finite element exterior calculus allowing discovery of mixed finite element spaces with closed form quadrature rules. An equivalence between Whitney forms and graph networks reveals that the geometric problem of control volume learning is equivalent to an unsupervised graph discovery problem. The framework is developed for manifolds in arbitrary dimension, with examples provided for đ»(div) problems in ℝ2 establishing convergence and structure preservation properties. Finally, we consider a lithium-ion battery problem where we discover a reduced finite element space encoding transport pathways from high-fidelity microstructure resolved simulations. The approach reduces the 5.89M finite element simulation to 136 elements while reproducing pressure to under 0.1% error and preserving conservation.  more » « less
Award ID(s):
2208267
PAR ID:
10531778
Author(s) / Creator(s):
; ; ; ;
Publisher / Repository:
Elsevier
Date Published:
Journal Name:
Journal of Computational Physics
Volume:
496
Issue:
C
ISSN:
0021-9991
Page Range / eLocation ID:
112520
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic convex polytope meshes in dimensions 2 and 3. Our construction recovers well-known bases for the lowest order NĂ©dĂ©lec, Raviart–Thomas, and Brezzi–Douglas–Marini elements on simplicial meshes and generalizes the notion of Whitney forms to non-simplicial convex polygons and polyhedra. We show that our basis functions lie in the correct function space with regards to global continuity and that they reproduce the requisite polynomial differential forms described by finite element exterior calculus. We present a method to count the number of basis functions required to ensure these two key properties. 
    more » « less
  2. The objective of this paper is to develop efficient numerical algorithms for the linear advection-diffusion equation in fractured porous media. A reduced fracture model is considered where the fractures are treated as interfaces between subdomains and the interactions between the fractures and the surrounding porous medium are taken into account. The model is discretized by a backward Euler upwind-mixed hybrid finite element method in which the flux variable represents both the advective and diffusive fluxes. The existence, uniqueness, as well as optimal error estimates in both space and time for the fully discrete coupled problem are established. Moreover, to facilitate different time steps in the fracture-interface and the subdomains, global-in-time, nonoverlapping domain decomposition is utilized to derive two implicit iterative solvers for the discrete problem. The first method is based on the time-dependent Steklov–PoincarĂ© operator, while the second one employs the optimized Schwarz waveform relaxation (OSWR) approach with Ventcel-Robin transmission conditions. A discrete space-time interface system is formulated for each method and is solved iteratively with possibly variable time step sizes. The convergence of the OSWR-based method with conforming time grids is also proved. Finally, numerical results in two dimensions are presented to verify the optimal order of convergence of the monolithic solver and to illustrate the performance of the two decoupled schemes with local time-stepping on problems of high PĂ©clet numbers. 
    more » « less
  3. In this manuscript, we present a multiscale Adaptive Reduced-Order Modeling (AROM) framework to efficiently simulate the response of heterogeneous composite microstructures under interfacial and volumetric damage. This framework builds on the eigendeformation-based reduced-order homogenization model (EHM), which is based on the transformation field analysis (TFA) and operates in the context of computational homogenization with a focus on model order reduction of the microscale problem. EHM pre-computes certain microstructure information by solving a series of linear elastic problems defined over the fully resolved microstructure (i.e., concentration tensors, interaction tensors) and approximates the microscale problem using a much smaller basis spanned over subdomains (also called parts) of the microstructure. Using this reduced basis, and prescribed spatial variation of inelastic response fields over the parts, the microscale problem leads to a set of algebraic equations with part-wise responses as unknowns, instead of node-wise displacements as in finite element analysis. The volumetric and interfacial influence functions are calculated by using the Interface enriched Generalized Finite Element Method (IGFEM) to compute the coefficient tensors, in which the finite element discretization does not need to conform to the material interfaces. AROM takes advantage of pre-computed coefficient tensors associated with the finest ROM and efficiently computes the coefficient tensors of a series of gradually coarsening ROMs. During the multiscale analysis stage, the simulation starts with a coarse ROM which can capture the initial elastic response well. As the loading continues and response in certain parts of the microstructure starts to localize, the analysis adaptively switches to the next level of refined ROM to better capture those local responses. The performance of AROM is evaluated by comparing the results with regular EHM (no adaptive refinement) and IGFEM under different loading conditions and failure modes for various 2D and 3D microstructures. The proposed AROM provides an efficient way to model history-dependent nonlinear responses for composite materials under localized interface failure and phase damage. 
    more » « less
  4. Abstract The increasing interest in modeling the dynamics of ever larger proteins has revealed a fundamental problem with models that describe the molecular system as being in a global configuration state. This notion limits our ability to gather sufficient statistics of state probabilities or state-to-state transitions because for large molecular systems the number of metastable states grows exponentially with size. In this manuscript, we approach this challenge by introducing a method that combines our recent progress on independent Markov decomposition (IMD) with VAMPnets, a deep learning approach to Markov modeling. We establish a training objective that quantifies how well a given decomposition of the molecular system into independent subdomains with Markovian dynamics approximates the overall dynamics. By constructing an end-to-end learning framework, the decomposition into such subdomains and their individual Markov state models are simultaneously learned, providing a data-efficient and easily interpretable summary of the complex system dynamics. While learning the dynamical coupling between Markovian subdomains is still an open issue, the present results are a significant step towards learning Ising models of large molecular complexes from simulation data. 
    more » « less
  5. Tedesco, Marco; Lai, Ching_Yao; Brinkerhoff, Douglas; Stearns, Leigh (Ed.)
    Emulators of ice flow models have shown promise for speeding up simulations of glaciers and ice sheets. Existing ice flow emulators have relied primarily on convolutional neural networks (CNN’s), which assume that model inputs and outputs are discretized on a uniform computational grid. However, many existing finite element-based ice sheet models such as the Ice-Sheet and Sea-level System model (ISSM) benefit from their ability to use unstructured computational meshes. Unstructured meshes allow for greater flexibility and computational efficiency in many modeling scenarios. In this work, we present an emulator of a higher order, finite element ice flow model based on a graph neural network (GNN) architecture. In this architecture, an unstructured finite element mesh is represented as a graph, with inputs and outputs of the ice flow model represented as variables on graph nodes and edges. An advantage of this approach is that the ice flow emulator can interface directly with a standard finite element –based ice sheet model by mapping between the finite element mesh and a graph suitable for the GNN emulator. We test the ability of the GNN to predict velocity fields on complex mountain glacier geometries and show how the emulated velocity can be used to solve for mass continuity using a standard finite element approach. 
    more » « less