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Stefano Zampini

Publications and source records attributed to Stefano Zampini.

At least 19 recordsLinked to original sources

Auxiliary Gradient-Flow Solvers for Generalized Newtonian Models

We introduce an auxiliary gradient-flow framework for variational problems with generalized Newtonian structure governed by an N-function. The key idea is to replace the nonlinear constitutive dependence on the gradient, or symmetric gradient, by an auxiliary scalar variable representing its squared magnitude. This shifts the nonlinearity from the state equation to the auxiliary variable, yielding a sequence of uniformly elliptic weighted linear problems. At the continuous level, we construct an auxiliary energy on a metric space adapted to the growth of the underlying N-function. In this topology, we prove lower semicontinuity, geodesic $\lambda$-convexity, and exponential convergence of the associated minimizing-movement scheme. At the finite element level, we derive a metric gradient flow through an explicit Riesz map, prove global well-posedness of the resulting semi-discrete ODE, and establish convergence to the finite element solution of the Euler--Lagrange equations of the generalized Newtonian energy. For the $p$-Laplacian and $p$-Stokes models, this gives a rigorous convergence result for $4/3\le p\le 4$, $p\ne2$, with asymptotic rate estimates beyond this range. We also propose practical time discretizations, including an operator-splitting scheme that gives the \kac iteration as a special case, and an adaptive pseudo-transient method that can be implemented using scalable linear solvers. Numerical experiments for power-law, Carreau--Yasuda, regularized Bingham, and optimal-design models demonstrate robustness, mesh-independent iteration counts in the tested regimes, and performance that matches or outperforms Newton's method.

math.NA

Gradient Flows for the $p$-Laplacian Arising from Biological Network Models: A Novel Dynamical Relaxation Approach

We investigate a scalar partial differential equation model for the formation of biological transportation networks. Starting from a discrete graph-based formulation on equilateral triangulations, we rigorously derive the corresponding continuum energy functional as the $\Gamma$-limit under network refinement and establish the existence of global minimizers. The model possesses a gradient-flow structure whose steady states coincide with solutions of the $p$-Laplacian equation. Building on this connection, we implement finite element discretizations and propose a novel dynamical relaxation scheme that achieves optimal convergence rates in manufactured tests and exhibits mesh-independent performance, with the number of time steps, nonlinear iterations, and linear solves remaining stable under uniform mesh refinement. Numerical experiments confirm both the ability of the scalar model to reproduce biologically relevant network patterns and its effectiveness as a computationally efficient relaxation strategy for solving $p$-Laplacian equations for large exponents $p$.

math.AP

Synthetic Geology: Structural Geology Meets Deep Learning

Reconstructing the structural geology and mineral composition of the first few kilometers of the Earth's subsurface from sparse or indirect surface observations remains a long-standing challenge with critical applications in mineral exploration, geohazard assessment, and geotechnical engineering. This inherently ill-posed problem is often addressed by classical geophysical inversion methods, which typically yield a single maximum-likelihood model that fails to capture the full range of plausible geology. The adoption of modern deep learning methods has been limited by the lack of large 3D training datasets. We address this gap with \textit{StructuralGeo}, a geological simulation engine that mimics eons of tectonic, magmatic, and sedimentary processes to generate a virtually limitless supply of realistic synthetic 3D lithological models. Using this dataset, we train both unconditional and conditional generative flow-matching models with a 3D attention U-Net architecture. The resulting foundation model can reconstruct multiple plausible 3D scenarios from surface topography and sparse borehole data, depicting structures such as layers, faults, folds, and dikes. By sampling many reconstructions from the same observations, we introduce a probabilistic framework for estimating the size and extent of subsurface features. While the realism of the output is bounded by the fidelity of the training data to true geology, this combination of simulation and generative AI functions offers a flexible prior for probabilistic modeling, regional fine-tuning, and use as an AI-based regularizer in traditional geophysical inversion workflows.

cs.CV

Block BDDC/FETI-DP Preconditioners for Three-Field mixed finite element Discretizations of Biot's consolidation model

In this paper, we construct and analyze a block dual-primal preconditioner for Biot's consolidation model approximated by three-field mixed finite elements based on a displacement, pressure, and total pressure formulation. The domain is decomposed into nonoverlapping subdomains, and the continuity of the displacement component across the subdomain interface is enforced by introducing a Lagrange multiplier. After eliminating all displacement variables and the independent subdomain interior components of pressure and total pressure, the problem is reduced to a symmetric positive definite linear system for the subdomain interface pressure, total pressure, and the Lagrange multiplier. This reduced system is solved by a preconditioned conjugate gradient method, with a block dual-primal preconditioner using a Balancing Domain Decomposition by Constraints (BDDC) preconditioner for both the interface total pressure block and the interface pressure blocks, as well as a Finite Element Tearing and Interconnecting-Dual Primal (FETI-DP) preconditioner for the Lagrange multiplier block. By analyzing the conditioning of the preconditioned subsystem associated with the interface pressure and total pressure components, we obtain a condition number bound of the preconditioned system, which is scalable in the number of subdomains, poly-logarithmic in the ratio of subdomain and mesh sizes, and robust with respect to the parameters of the model. Extensive numerical experiments confirm the theoretical result of the proposed algorithm.

math.NA

Robust and scalable nonlinear solvers for finite element discretizations of biological transportation networks

We develop robust and scalable fully implicit nonlinear finite element solvers for the simulations of biological transportation networks driven by the gradient flow minimization of a non-convex energy cost functional. Our approach employs a discontinuous space for the conductivity tensor that allows us to guarantee the preservation of its positive semi-definiteness throughout the entire minimization procedure arising from the time integration of the gradient flow dynamics using a backward Euler scheme. Extensive tests in two and three dimensions demonstrate the robustness and performance of the solver, highlight the sensitivity of the emergent network structures to mesh resolution and topology, and validate the resilience of the linear preconditioner to the ill-conditioning of the model. The implementation achieves near-optimal parallel scaling on large-scale, high-performance computing platforms. To the best of our knowledge, the network formation system has never been simulated in three dimensions before. Consequently, our three-dimensional results are the first of their kind.

cs.CE

Training-Free Constrained Generation With Stable Diffusion Models

Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. While there is increasing effort to incorporate physics-based constraints into generative models, existing techniques are either limited in their applicability to latent diffusion frameworks or lack the capability to strictly enforce domain-specific constraints. To address this limitation this paper proposes a novel integration of stable diffusion models with constrained optimization frameworks, enabling the generation of outputs satisfying stringent physical and functional requirements. The effectiveness of this approach is demonstrated through material design experiments requiring adherence to precise morphometric properties, challenging inverse design tasks involving the generation of materials inducing specific stress-strain responses, and copyright-constrained content generation tasks. All code has been released at https://github.com/RAISELab-atUVA/Constrained-Stable-Diffusion.

cs.LG

PETSc/TAO Developments for GPU-Based Early Exascale Systems

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization (TAO). PETSc is used in dozens of scientific fields and is an important building block for many simulation codes. During the U.S. Department of Energy's Exascale Computing Project, the PETSc team has made substantial efforts to enable efficient utilization of the massive fine-grain parallelism present within exascale compute nodes and to enable performance portability across exascale architectures. We recap some of the challenges that designers of numerical libraries face in such an endeavor, and then discuss the many developments we have made, which include the addition of new GPU backends, features supporting efficient on-device matrix assembly, better support for asynchronicity and GPU kernel concurrency, and new communication infrastructure. We evaluate the performance of these developments on some pre-exascale systems as well the early exascale systems Frontier and Aurora, using compute kernel, communication layer, solver, and mini-application benchmark studies, and then close with a few observations drawn from our experiences on the tension between portable performance and other goals of numerical libraries.

cs.MS

PETScML: Second-order solvers for training regression problems in Scientific Machine Learning

In recent years, we have witnessed the emergence of scientific machine learning as a data-driven tool for the analysis, by means of deep-learning techniques, of data produced by computational science and engineering applications. At the core of these methods is the supervised training algorithm to learn the neural network realization, a highly non-convex optimization problem that is usually solved using stochastic gradient methods. However, distinct from deep-learning practice, scientific machine-learning training problems feature a much larger volume of smooth data and better characterizations of the empirical risk functions, which make them suited for conventional solvers for unconstrained optimization. We introduce a lightweight software framework built on top of the Portable and Extensible Toolkit for Scientific computation to bridge the gap between deep-learning software and conventional solvers for unconstrained minimization. We empirically demonstrate the superior efficacy of a trust region method based on the Gauss-Newton approximation of the Hessian in improving the generalization errors arising from regression tasks when learning surrogate models for a wide range of scientific machine-learning techniques and test cases. All the conventional second-order solvers tested, including L-BFGS and inexact Newton with line-search, compare favorably, either in terms of cost or accuracy, with the adaptive first-order methods used to validate the surrogate models.

cs.LG

Safe, Seamless, And Scalable Integration Of Asynchronous GPU Streams In PETSc

Leveraging Graphics Processing Units (GPUs) to accelerate scientific software has proven to be highly successful, but in order to extract more performance, GPU programmers must overcome the high latency costs associated with their use. One method of reducing or hiding this latency cost is to use asynchronous streams to issue commands to the GPU. While performant, the streams model is an invasive abstraction, and has therefore proven difficult to integrate into general-purpose libraries. In this work, we enumerate the difficulties specific to library authors in adopting streams, and present recent work on addressing them. Finally, we present a unified asynchronous programming model for use in the Portable, Extensible, Toolkit for Scientific Computation (PETSc) to overcome these challenges. The new model shows broad performance benefits while remaining ergonomic to the user.

cs.DC

BDDC preconditioners for virtual element approximations of the three-dimensional Stokes equations

The Virtual Element Method (VEM) is a novel family of numerical methods for approximating partial differential equations on very general polygonal or polyhedral computational grids. This work aims to propose a Balancing Domain Decomposition by Constraints (BDDC) preconditioner that allows using the conjugate gradient method to compute the solution of the saddle-point linear systems arising from the VEM discretization of the three-dimensional Stokes equations. We prove the scalability and quasi-optimality of the algorithm and confirm the theoretical findings with parallel computations. Numerical results with adaptively generated coarse spaces confirm the method's robustness in the presence of large jumps in the viscosity and with high-order VEM discretizations.

math.NA

Toward Performance-Portable PETSc for GPU-based Exascale Systems

The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization.The PETSc design for performance portability addresses fundamental GPU accelerator challenges and stresses flexibility and extensibility by separating the programming model used by the application from that used by the library, and it enables application developers to use their preferred programming model, such as Kokkos, RAJA, SYCL, HIP, CUDA, or OpenCL, on upcoming exascale systems. A blueprint for using GPUs from PETSc-based codes is provided, and case studies emphasize the flexibility and high performance achieved on current GPU-based systems.

cs.MS

H2Opus: A distributed-memory multi-GPU software package for non-local operators

Hierarchical $\mathcal{H}^2$-matrices are asymptotically optimal representations for the discretizations of non-local operators such as those arising in integral equations or from kernel functions. Their $O(N)$ complexity in both memory and operator application makes them particularly suited for large-scale problems. As a result, there is a need for software that provides support for distributed operations on these matrices to allow large-scale problems to be represented. In this paper, we present high-performance, distributed-memory GPU-accelerated algorithms and implementations for matrix-vector multiplication and matrix recompression of hierarchical matrices in the $\mathcal{H}^2$ format. The algorithms are a new module of H2Opus, a performance-oriented package that supports a broad variety of $\mathcal{H}^2$-matrix operations on CPUs and GPUs. Performance in the distributed GPU setting is achieved by marshaling the tree data of the hierarchical matrix representation to allow batched kernels to be executed on the individual GPUs. MPI is used for inter-process communication. We optimize the communication data volume and hide much of the communication cost with local compute phases of the algorithms. Results show near-ideal scalability up to 1024 NVIDIA V100 GPUs on Summit, with performance exceeding 2.3 Tflop/s/GPU for the matrix-vector multiplication, and 670 Gflops/s/GPU for matrix compression, which involves batched QR and SVD operations. We illustrate the flexibility and efficiency of the library by solving a 2D variable diffusivity integral fractional diffusion problem with an algebraic multigrid-preconditioned Krylov solver and demonstrate scalability up to 16M degrees of freedom problems on 64 GPUs.

cs.DC

H2OPUS-TLR: High Performance Tile Low Rank Symmetric Factorizations using Adaptive Randomized Approximation

Tile low rank representations of dense matrices partition them into blocks of roughly uniform size, where each off-diagonal tile is compressed and stored as its own low rank factorization. They offer an attractive representation for many data-sparse dense operators that appear in practical applications, where substantial compression and a much smaller memory footprint can be achieved. TLR matrices are a compromise between the simplicity of a regular perfectly-strided data structure and the optimal complexity of the unbalanced trees of hierarchically low rank matrices, and provide a convenient performance-tuning parameter through their tile size that can be proportioned to take into account the cache size where the tiles reside in the memory hierarchy. There are currently no high-performance algorithms that can generate Cholesky and $LDL^T$ factorizations, particularly on GPUs. The difficulties in achieving high performance when factoring TLR matrices come from the expensive compression operations that must be performed during the factorization process and the adaptive rank distribution of the tiles that causes an irregular work pattern for the processing cores. In this work, we develop a dynamic batching operation and combine it with batched adaptive randomized approximations to achieve high performance both on GPUs and CPUs. Our implementation attains over 1.2 TFLOP/s in double precision on the V100 GPU, and is limited by the performance of batched GEMM operations. The Cholesky factorization of covariance matrix of size $N = 131K$ arising in spatial statistics can be factored to an accuracy $ε=10^{-2}$ in just a few seconds. We believe the proposed GEMM-centric algorithm allows it to be readily ported to newer hardware such as the tensor cores that are optimized for small GEMM operations.

cs.DC

The PetscSF Scalable Communication Layer

PetscSF, the communication component of the Portable, Extensible Toolkit for Scientific Computation (PETSc), is designed to provide PETSc's communication infrastructure suitable for exascale computers that utilize GPUs and other accelerators. PetscSF provides a simple application programming interface (API) for managing common communication patterns in scientific computations by using a star-forest graph representation. PetscSF supports several implementations based on MPI and NVSHMEM, whose selection is based on the characteristics of the application or the target architecture. An efficient and portable model for network and intra-node communication is essential for implementing large-scale applications. The Message Passing Interface, which has been the de facto standard for distributed memory systems, has developed into a large complex API that does not yet provide high performance on the emerging heterogeneous CPU-GPU-based exascale systems. In this paper, we discuss the design of PetscSF, how it can overcome some difficulties of working directly with MPI on GPUs, and we demonstrate its performance, scalability, and novel features.

cs.DC

MFEM: a modular finite element methods library

MFEM is an open-source, lightweight, flexible and scalable C++ library for modular finite element methods that features arbitrary high-order finite element meshes and spaces, support for a wide variety of discretization approaches and emphasis on usability, portability, and high-performance computing efficiency. MFEM's goal is to provide application scientists with access to cutting-edge algorithms for high-order finite element meshing, discretizations and linear solvers, while enabling researchers to quickly and easily develop and test new algorithms in very general, fully unstructured, high-order, parallel and GPU-accelerated settings. In this paper we describe the underlying algorithms and finite element abstractions provided by MFEM, discuss the software implementation, and illustrate various applications of the library.

cs.MS

Hierarchical Matrix Approximations of Hessians Arising in Inverse Problems Governed by PDEs

Hessian operators arising in inverse problems governed by partial differential equations (PDEs) play a critical role in delivering efficient, dimension-independent convergence for both Newton solution of deterministic inverse problems, as well as Markov chain Monte Carlo sampling of posteriors in the Bayesian setting. These methods require the ability to repeatedly perform such operations on the Hessian as multiplication with arbitrary vectors, solving linear systems, inversion, and (inverse) square root. Unfortunately, the Hessian is a (formally) dense, implicitly-defined operator that is intractable to form explicitly for practical inverse problems, requiring as many PDE solves as inversion parameters. Low rank approximations are effective when the data contain limited information about the parameters, but become prohibitive as the data become more informative. However, the Hessians for many inverse problems arising in practical applications can be well approximated by matrices that have hierarchically low rank structure. Hierarchical matrix representations promise to overcome the high complexity of dense representations and provide effective data structures and matrix operations that have only log-linear complexity. In this work, we describe algorithms for constructing and updating hierarchical matrix approximations of Hessians, and illustrate them on a number of representative inverse problems involving time-dependent diffusion, advection-dominated transport, frequency domain acoustic wave propagation, and low frequency Maxwell equations, demonstrating up to an order of magnitude speedup compared to globally low rank approximations.

math.NA

Optimized geometrical metrics satisfying free-stream preservation

Computational fluid dynamics and aerodynamics, which complement more expensive empirical approaches, are critical for developing aerospace vehicles. During the past three decades, computational aerodynamics capability has improved remarkably, following advances in computer hardware and algorithm development. However, for complex applications, the demands on computational fluid dynamics continue to increase in a quest to gain a few percent improvements in accuracy. Herein, we numerically demonstrate that optimizing the metric terms which arise from smoothly mapping each cell to a reference element, lead to a solution whose accuracy is practically never worse and often noticeably better than the one obtained using the widely adopted Thomas and Lombard metric terms computation (Geometric conservation law and its application to flow computations on moving grids, AIAA Journal, 1979). Low and high-order accurate entropy stable schemes on distorted, high-order tensor product elements are used to simulate three-dimensional inviscid and viscous compressible test cases for which an analytical solution is known.

math.NA

Entropy Stable h/p-Nonconforming Discretization with the Summation-by-Parts Property for the Compressible Euler and Navier-Stokes Equations

In this paper, the entropy conservative/stable algorithms presented by Del Rey Fernandez and coauthors [18,16,17] for the compressible Euler and Navier-Stokes equations on nonconforming p-refined/coarsened curvilinear grids is extended to h/p refinement/coarsening. The main difficulty in developing nonconforming algorithms is the construction of appropriate coupling procedures across nonconforming interfaces. Here, a computationally simple and efficient approach based upon using decoupled interpolation operators is utilized. The resulting scheme is entropy conservative/stable and element-wise conservative. Numerical simulations of the isentropic vortex and viscous shock propagation confirm the entropy conservation/stability and accuracy properties of the method (achieving ~ p + 1 convergence) which are comparable to those of the original conforming scheme [4,35]. Simulations of the Taylor-Green vortex at Re = 1,600 and turbulent flow past a sphere at Re = 2,000 show the robustness and stability properties of the overall spatial discretization for unstructured grids. Finally, to demonstrate the entropy conservation property of a fully-discrete explicit entropy stable algorithm with h/p refinement/coarsening, we present the time evolution of the entropy function obtained by simulating the propagation of the isentropic vortex using a relaxation Runge-Kutta scheme.

math.NA