Mauro Perego

QiZhi He, Mauro Perego, Amanda A. Howard et al.

One of the most challenging and consequential problems in climate modeling is to provide probabilistic projections of sea level rise. A large part of the uncertainty of sea level projections is due to uncertainty in ice sheet dynamics. At the moment, accurate quantification of the uncertainty is hindered by the cost of ice sheet computational models. In this work, we develop a hybrid approach to approximate existing ice sheet computational models at a fraction of their cost. Our approach consists of replacing the finite element model for the momentum equations for the ice velocity, the most expensive part of an ice sheet model, with a Deep Operator Network, while retaining a classic finite element discretization for the evolution of the ice thickness. We show that the resulting hybrid model is very accurate and it is an order of magnitude faster than the traditional finite element model. Further, a distinctive feature of the proposed model compared to other neural network approaches, is that it can handle high-dimensional parameter spaces (parameter fields) such as the basal friction at the bed of the glacier, and can therefore be used for generating samples for uncertainty quantification. We study the impact of hyper-parameters, number of unknowns and correlation length of the parameter distribution on the training and accuracy of the Deep Operator Network on a synthetic ice sheet model. We then target the evolution of the Humboldt glacier in Greenland and show that our hybrid model can provide accurate statistics of the glacier mass loss and can be effectively used to accelerate the quantification of uncertainty.

James Cheung, Mauro Perego, Pavel Bochev et al.

Meshing of geometric domains having curved boundaries by affine simplices produces a polytopial approximation of those domains. The resulting error in the representation of the domain limits the accuracy of finite element methods based on such meshes. On the other hand, the simplicity of affine meshes makes them a desirable modeling tool in many applications. In this paper, we develop and analyze higher-order accurate finite element methods that remain stable and optimally accurate on polytopial approximations of domains with smooth boundaries. This is achieved by constraining a judiciously chosen extension of the finite element solution on the polytopial domain to weakly match the prescribed boundary condition on the true geometric boundary. We provide numerical examples that highlight key properties of the new method and that illustrate the optimal $H^1$ and $L^2$-norm convergence rates.

Nathaniel Trask, Mauro Perego, Pavel Bochev

We present a new meshless method for scalar diffusion equations which is motivated by their compatible discretizations on primal-dual grids. Unlike the latter though, our approach is truly meshless because it only requires the graph of nearby neighbor connectivity of the discretization points $\bm{x}_i$. This graph defines a local primal-dual grid complex with a \emph{virtual} dual grid, in the sense that specification of the dual metric attributes is implicit in the method's construction. Our method combines a topological gradient operator on the local primal grid with a Generalized Moving Least Squares approximation of the divergence on the local dual grid. We show that the resulting approximation of the div-grad operator maintains polynomial reproduction to arbitrary orders and yields a meshless method, which attains $O(h^{m})$ convergence in both $L^2$ and $H^1$ norms, similar to mixed finite element methods. We demonstrate this convergence on curvilinear domains using manufactured solutions. Application of the new method to problems with discontinuous coefficients reveals solutions that are qualitatively similar to those of compatible mesh-based discretizations.

Amanda A. Howard, Mauro Perego, George E. Karniadakis et al.

Operator learning for complex nonlinear systems is increasingly common in modeling multi-physics and multi-scale systems. However, training such high-dimensional operators requires a large amount of expensive, high-fidelity data, either from experiments or simulations. In this work, we present a composite Deep Operator Network (DeepONet) for learning using two datasets with different levels of fidelity to accurately learn complex operators when sufficient high-fidelity data is not available. Additionally, we demonstrate that the presence of low-fidelity data can improve the predictions of physics-informed learning with DeepONets. We demonstrate the new multi-fidelity training in diverse examples, including modeling of the ice-sheet dynamics of the Humboldt glacier, Greenland, using two different fidelity models and also using the same physical model at two different resolutions.

Nathaniel Trask, Pavel Bochev, Mauro Perego

Mimetic methods discretize divergence by restricting the Gauss theorem to mesh cells. Because point clouds lack such geometric entities, construction of a compatible meshfree divergence remains a challenge. In this work, we define an abstract Meshfree Mimetic Divergence (MMD) operator on point clouds by contraction of field and virtual face moments. This MMD satisfies a discrete divergence theorem, provides a discrete local conservation principle, and is first-order accurate. We consider two MMD instantiations. The first one assumes a background mesh and uses generalized moving least squares (GMLS) to obtain the necessary field and face moments. This MMD instance is appropriate for settings where a mesh is available but its quality is insufficient for a robust and accurate mesh-based discretization. The second MMD operator retains the GMLS field moments but defines virtual face moments using computationally efficient weighted graph-Laplacian equations. This MMD instance does not require a background grid and is appropriate for applications where mesh generation creates a computational bottleneck. It allows one to trade an expensive mesh generation problem for a scalable algebraic one, without sacrificing compatibility with the divergence operator. We demonstrate the approach by using the MMD operator to obtain a virtual finite-volume discretization of conservation laws on point clouds. Numerical results in the paper confirm the mimetic properties of the method and show that it behaves similarly to standard finite volume methods.

Pavel Bochev, James Cheung, Max Gunzburger et al.

In this paper, we present a new numerical method for determining the numerical solution of interface problems to optimal accuracy with respect to the polynomial order of the Lagrangian finite element space on polytopial meshes. We introduce the notion of a virtual interface, and on this virtual interface we enforce that "extended" interface conditions are satisfied in the sense of a Dirichlet--Neumann coupling. The virtual interface framework serves to bypass geometric variational crimes incurred by the classical finite element method. Further, this approach does not require that the geometric interfaces are spatially matching. Our analysis indicates that this approach is well--posed and optimally convergent in $H^1$. Numerical experiments indicate that optimal $H^1$ and $L^2$ convergence is achieved.

Pavel Bochev, James Cheung, Max Gunzburger et al.

We present a new formulation based on the classical Dirichlet-Neumann formulation for interface coupling problems in linearized elasticity. By using Taylor series expansions, we derive a new set of interface conditions that allow our formulation to pass the linear consistency test. In addition, we propose an iterative method to determine the solution of our formulation. We demonstrate in our numerical results that we may achieve the desired piecewise linear finite element error bounds for both nonoverlapping domain decomposition problems as well as for interface coupling problems where the Lamé parameters of the structures differ.

Adrienne M. Propp, Mauro Perego, Eric C. Cyr et al.

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop a physics-inspired graph neural network (GNN) surrogate that operates directly on unstructured meshes and leverages the flexibility of graph attention. To improve both training efficiency and generalization properties of the model, we introduce a domain decomposition (DD) strategy that partitions the mesh into subdomains, trains local GNN surrogates in parallel, and aggregates their predictions. We then employ transfer learning to fine-tune models across subdomains, accelerating training and improving accuracy in data-limited settings. Applied to ice sheet simulations, our approach accurately predicts full-field velocities on high-resolution meshes, substantially reduces training time relative to training a single global surrogate model, and provides a ripe foundation for UQ objectives. Our results demonstrate that graph-based DD, combined with transfer learning, provides a scalable and reliable pathway for training GNN surrogates on massive PDE-governed systems, with broad potential for application beyond ice sheet dynamics.

Matthias Mayr, Alexander Heinlein, Christian Glusa et al.

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to ``An Overview of the Trilinos project'' by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397-423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This paper also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Eric C. Cyr, Mamikon A. Gulian, Ravi G. Patel et al.

Motivated by the gap between theoretical optimal approximation rates of deep neural networks (DNNs) and the accuracy realized in practice, we seek to improve the training of DNNs. The adoption of an adaptive basis viewpoint of DNNs leads to novel initializations and a hybrid least squares/gradient descent optimizer. We provide analysis of these techniques and illustrate via numerical examples dramatic increases in accuracy and convergence rate for benchmarks characterizing scientific applications where DNNs are currently used, including regression problems and physics-informed neural networks for the solution of partial differential equations.