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Hartwig Anzt

Publications and source records attributed to Hartwig Anzt.

At least 19 recordsLinked to original sources

Randomized Sketching is Robust to Low-Precision Rounding on GPUs

Randomized sketching is a core primitive in randomized numerical linear algebra. On modern hardware architectures, in particular on GPUs, the performance of sparse sketches is limited by memory traffic and atomic accumulation rather than floating-point throughput. This makes sketching a natural target for mixed precision, provided that low-precision accumulation does not degrade the embedding quality. We study mixed-precision GPU implementations of sparse oblivious subspace embeddings, focusing on a SparseStack generalization of the GPU CountSketch kernel of Higgins et al. SparseStack improves embedding quality relative to CountSketch on coherent inputs, but its additional nonzeros per column increase atomic-update contention and reduce throughput. We therefore implement FP16 SparseStack variants using deterministic round-to-nearest, exact stochastic rounding, and dithered rounding, and compare them with FP32 SparseStack, CountSketch, mixed-precision CountSketch, and FlashSketch. Our main empirical finding is that, for the tested regimes, SparseStack embedding quality is insensitive to the FP16 rounding rule. Deterministic, stochastic, and dithered rounding FP16 SparseStack produce nearly identical subspace distortion and sketch-and-solve least-squares accuracy across incoherent, coherent, and adversarial test problems. The dominant accuracy factor is the sketch distribution rather than the quantization rule: SparseStack variants substantially improve distortion on coherent inputs, while all methods behave similarly on incoherent inputs. Since deterministic rounding has the lowest overhead, it provides the best performance--accuracy tradeoff among the FP16 SparseStack variants.

cs.PF

Global iterative methods for sparse approximate inverses of symmetric positive definite matrices

This work is motivated by symmetric positive definite (SPD) matrices for which the best sparse approximate inverse (SPAI) with the prescribed nonzero pattern of $A^k$ for some moderate value of $k$, e.g., 1, 2, 3, or 4, fails to capture essential features of the inverse, such as definiteness. In this context, we consider short-recurrence iterative methods for the computation of SPAIs, that is, methods with sparse matrix iterates whose nonzero structure is globally updated at each iteration based on short-recurrence relations. In particular, we consider the minimal residual (MR) method, its newly proposed variant enriched with one previous search direction, namely the locally optimal minimal residual (LOMR) method, and the conjugate gradient (CG) method with sparse matrix iterates and Frobenius inner products. We show that, for SPD matrices, the MR method converges linearly with rate $(1-\lambda_{\min}^2/\operatorname{tr}(A^2))^{1/2}$, irrespective of the initial guess. While LOMR inherits unconditional monotone convergence from MR, its observed convergence behavior is that of a monotonically decreasing lower envelope to the CG residual norm without the occasional spurious oscillations proper to CG. All three methods are implemented with practical dropping strategies to control the growth of nonzero patterns in the approximate inverse. Numerical experiments are performed where SPAIs are computed with a prescribed cap on density, and the performance of those SPAIs as preconditioners for CG solves is quantitatively assessed for each method.

math.NA

Mixed precision multigrid with smoothing based on incomplete Cholesky factorization

Multigrid methods are popular iterative methods for solving large-scale sparse systems of linear equations. We present a mixed precision formulation of the multigrid V-cycle method with general assumptions on the finite precision errors coming from the application of coarsest-level solver and smoothing. Inspired by existing analysis, we derive a bound on the relative finite precision error of the V-cycle which gives insight into how the finite precision errors from the individual components of the method may affect the overall finite precision error. We use the result to study V-cycle methods with smoothing based on incomplete Cholesky factorization. The results imply that in certain settings, the precisions used for applying the incomplete Cholesky smoothing can be significantly lower than the precision used for computing the residual, restriction, prolongation, and correction on a given level. We perform numerical experiments using simulated floating point arithmetic with the MATLAB Advanpix toolbox as well as experiments on GPUs using the Ginkgo library. The experiments illustrate the theoretical findings and show that in the considered settings, the incomplete Cholesky smoothing can be applied in relatively low precisions, resulting in significant improvements in the execution time (up to 28% less), energy savings (up to 26% less) and required memory (up to 16% less) in comparison with the uniform double precision variant.

math.NA

Investigating Matrix Repartitioning to Address the Over- and Undersubscription Challenge for a GPU-based CFD Solver

Modern high-performance computing (HPC) increasingly relies on GPUs, but integrating GPU acceleration into complex scientific frameworks like OpenFOAM remains a challenge. Existing approaches either fully refactor the codebase or use plugin-based GPU solvers, each facing trade-offs between performance and development effort. In this work, we address the limitations of plugin-based GPU acceleration in OpenFOAM by proposing a repartitioning strategy that better balances CPU matrix assembly and GPU-based linear solves. We present a detailed computational model, describe a novel matrix repartitioning and update procedure, and evaluate its performance on large-scale CFD simulations. Our results show that the proposed method significantly mitigates oversubscription issues, improving solver performance and resource utilization in heterogeneous CPU-GPU environments.

cs.DC

pyGinkgo: A Sparse Linear Algebra Operator Framework for Python

Sparse linear algebra is a cornerstone of many scientific computing and machine learning applications. Python has become a popular choice for these applications due to its simplicity and ease of use. Yet high performance sparse kernels in Python remain limited in functionality, especially on modern CPU and GPU architectures. We present pyGinkgo, a lightweight and Pythonic interface to the Ginkgo library, offering high-performance sparse linear algebra support with platform portability across CUDA, HIP, and OpenMP backends. pyGinkgo bridges the gap between high-performance C++ backends and Python usability by exposing Ginkgo's capabilities via Pybind11 and a NumPy and PyTorch compatible interface. We benchmark pyGinkgo's performance against state-of-the-art Python libraries including SciPy, CuPy, PyTorch, and TensorFlow. Results across hardware from different vendors demonstrate that pyGinkgo consistently outperforms existing Python tools in both sparse matrix vector (SpMV) product and iterative solver performance, while maintaining performance parity with native Ginkgo C++ code. Our work positions pyGinkgo as a compelling backend for sparse machine learning models and scientific workflows.

cs.MS

Permutation-Avoiding FFT-Based Convolution

Fast Fourier Transform (FFT) libraries are widely used for evaluating discrete convolutions. Most FFT implementations follow some variant of the Cooley-Tukey framework, in which the transform is decomposed into butterfly operations and index-reversal permutations. While butterfly operations dominate the floating-point operation count, the memory access patterns induced by index-reversal permutations significantly degrade the FFT's arithmetic intensity. When performing discrete convolution, the three sets of index-reversal permutations which occur in FFT-based implementations using Cooley-Tukey frameworks cancel out, thus paving the way to implementations free of any permutation. To the best of our knowledge, such permutation-free variants of FFT-based discrete convolution are not commonly used in practice, making such kernels worth investigating. Here, we look into such permutation-avoiding convolution procedures for multi-dimensional cases within a general radix Cooley-Tukey framework. We perform numerical experiments to benchmark the algorithms presented against state-of-the-art FFT-based convolution implementations. Our results suggest that developers of FFT libraries should consider supporting permutation-avoiding convolution kernels.

math.NA

A BDDC Preconditioner for the Cardiac EMI Model in three Dimensions

We analyze a Balancing Domain Decomposition by Constraints (BDDC) preconditioner for the solution of three dimensional composite Discontinuous Galerkin discretizations of reaction-diffusion systems of ordinary and partial differential equations arising in cardiac cell-by-cell models like the Extracellular space, Membrane and Intracellular space (EMI) Model. These microscopic models are essential for the understanding of events in aging and structurally diseased hearts which macroscopic models relying on homogenized descriptions of the cardiac tissue, like Monodomain and Bidomain models, fail to adequately represent. The modeling of each individual cardiac cell results in discontinuous global solutions across cell boundaries, requiring the careful construction of dual and primal spaces for the BDDC preconditioner. We provide a scalable condition number bound for the precondition operator and validate the theoretical results with extensive numerical experiments.

math.NA

Interface for Sparse Linear Algebra Operations

The standardization of an interface for dense linear algebra operations in the BLAS standard has enabled interoperability between different linear algebra libraries, thereby boosting the success of scientific computing, in particular in scientific HPC. Despite numerous efforts in the past, the community has not yet agreed on a standardization for sparse linear algebra operations due to numerous reasons. One is the fact that sparse linear algebra objects allow for many different storage formats, and different hardware may favor different storage formats. This makes the definition of a FORTRAN-style all-circumventing interface extremely challenging. Another reason is that opposed to dense linear algebra functionality, in sparse linear algebra, the size of the sparse data structure for the operation result is not always known prior to the information. Furthermore, as opposed to the standardization effort for dense linear algebra, we are late in the technology readiness cycle, and many production-ready software libraries using sparse linear algebra routines have implemented and committed to their own sparse BLAS interface. At the same time, there exists a demand for standardization that would improve interoperability, and sustainability, and allow for easier integration of building blocks. In an inclusive, cross-institutional effort involving numerous academic institutions, US National Labs, and industry, we spent two years designing a hardware-portable interface for basic sparse linear algebra functionality that serves the user needs and is compatible with the different interfaces currently used by different vendors. In this paper, we present a C++ API for sparse linear algebra functionality, discuss the design choices, and detail how software developers preserve a lot of freedom in terms of how to implement functionality behind this API.

cs.MS

BDDC Preconditioning on GPUs for Cardiac Simulations

In order to understand cardiac arrhythmia, computer models for electrophysiology are essential. In the EuroHPC MicroCARD project, we adapt the current models and leverage modern computing resources to model diseased hearts and their microstructure accurately. Towards this objective, we develop a portable, highly efficient, and performing BDDC preconditioner and solver implementation, demonstrating scalability with over 90% efficiency on up to 100 GPUs.

cs.CE

FRSZ2 for In-Register Block Compression Inside GMRES on GPUs

The performance of the GMRES iterative solver on GPUs is limited by the GPU main memory bandwidth. Compressed Basis GMRES outperforms GMRES by storing the Krylov basis in low precision, thereby reducing the memory access. An open question is whether compression techniques that are more sophisticated than casting to low precision can enable large runtime savings while preserving the accuracy of the final results. This paper presents the lightweight in-register compressor FRSZ2 that can decompress at the bandwidth speed of a modern NVIDIA H100 GPU. In an experimental evaluation, we demonstrate using FRSZ2 instead of low precision for compression of the Krylov basis can bring larger runtime benefits without impacting final accuracy.

cs.PF

Fast Truncated SVD of Sparse and Dense Matrices on Graphics Processors

We investigate the solution of low-rank matrix approximation problems using the truncated SVD. For this purpose, we develop and optimize GPU implementations for the randomized SVD and a blocked variant of the Lanczos approach. Our work takes advantage of the fact that the two methods are composed of very similar linear algebra building blocks, which can be assembled using numerical kernels from existing high-performance linear algebra libraries. Furthermore, the experiments with several sparse matrices arising in representative real-world applications and synthetic dense test matrices reveal a performance advantage of the block Lanczos algorithm when targeting the same approximation accuracy.

cs.DC

Porting Batched Iterative Solvers onto Intel GPUs with SYCL

Batched linear solvers play a vital role in computational sciences, especially in the fields of plasma physics and combustion simulations. With the imminent deployment of the Aurora Supercomputer and other upcoming systems equipped with Intel GPUs, there is a compelling demand to expand the capabilities of these solvers for Intel GPU architectures. In this paper, we present our efforts in porting and optimizing the batched iterative solvers on Intel GPUs using the SYCL programming model. These new solvers achieve impressive performance on the Intel GPU Max 1550s (Ponte Vecchio GPUs) which surpass our previous CUDA implementation on NVIDIA H100 GPUs by an average of 2.4x for the PeleLM application inputs. The batched solvers are ready for production use in real-world scientific applications through the Ginkgo library, complementing the performance portability of the batched functionality of Ginkgo.

cs.DC

Earth Virtualization Engines -- A Technical Perspective

Participants of the Berlin Summit on Earth Virtualization Engines (EVEs) discussed ideas and concepts to improve our ability to cope with climate change. EVEs aim to provide interactive and accessible climate simulations and data for a wide range of users. They combine high-resolution physics-based models with machine learning techniques to improve the fidelity, efficiency, and interpretability of climate projections. At their core, EVEs offer a federated data layer that enables simple and fast access to exabyte-sized climate data through simple interfaces. In this article, we summarize the technical challenges and opportunities for developing EVEs, and argue that they are essential for addressing the consequences of climate change.

physics.ao-ph

GPU-Resident Sparse Direct Linear Solvers for Alternating Current Optimal Power Flow Analysis

Integrating renewable resources within the transmission grid at a wide scale poses significant challenges for economic dispatch as it requires analysis with more optimization parameters, constraints, and sources of uncertainty. This motivates the investigation of more efficient computational methods, especially those for solving the underlying linear systems, which typically take more than half of the overall computation time. In this paper, we present our work on sparse linear solvers that take advantage of hardware accelerators, such as graphical processing units (GPUs), and improve the overall performance when used within economic dispatch computations. We treat the problems as sparse, which allows for faster execution but also makes the implementation of numerical methods more challenging. We present the first GPU-native sparse direct solver that can execute on both AMD and NVIDIA GPUs. We demonstrate significant performance improvements when using high-performance linear solvers within alternating current optimal power flow (ACOPF) analysis. Furthermore, we demonstrate the feasibility of getting significant performance improvements by executing the entire computation on GPU-based hardware. Finally, we identify outstanding research issues and opportunities for even better utilization of heterogeneous systems, including those equipped with GPUs.

cs.CE

Porting a sparse linear algebra math library to Intel GPUs

With the announcement that the Aurora Supercomputer will be composed of general purpose Intel CPUs complemented by discrete high performance Intel GPUs, and the deployment of the oneAPI ecosystem, Intel has committed to enter the arena of discrete high performance GPUs. A central requirement for the scientific computing community is the availability of production-ready software stacks and a glimpse of the performance they can expect to see on Intel high performance GPUs. In this paper, we present the first platform-portable open source math library supporting Intel GPUs via the DPC++ programming environment. We also benchmark some of the developed sparse linear algebra functionality on different Intel GPUs to assess the efficiency of the DPC++ programming ecosystem to translate raw performance into application performance. Aside from quantifying the efficiency within the hardware-specific roofline model, we also compare against routines providing the same functionality that ship with Intel's oneMKL vendor library.

cs.DC

A Fresh Look at FAIR for Research Software

This document captures the discussion and deliberation of the FAIR for Research Software (FAIR4RS) subgroup that took a fresh look at the applicability of the FAIR Guiding Principles for scientific data management and stewardship for research software. We discuss the vision of research software as ideally reproducible, open, usable, recognized, sustained and robust, and then review both the characteristic and practiced differences of research software and data. This vision and understanding of initial conditions serves as a backdrop for an attempt at translating and interpreting the guiding principles to more fully align with research software. We have found that many of the principles remained relatively intact as written, as long as considerable interpretation was provided. This was particularly the case for the "Findable" and "Accessible" foundational principles. We found that "Interoperability" and "Reusability" are particularly prone to a broad and sometimes opposing set of interpretations as written. We propose two new principles modeled on existing ones, and provide modified guiding text for these principles to help clarify our final interpretation. A series of gaps in translation were captured during this process, and these remain to be addressed. We finish with a consideration of where these translated principles fall short of the vision laid out in the opening.

cs.SE

Ginkgo -- A Math Library designed for Platform Portability

The first associations to software sustainability might be the existence of a continuous integration (CI) framework; the existence of a testing framework composed of unit tests, integration tests, and end-to-end tests; and also the existence of software documentation. However, when asking what is a common deathblow for a scientific software product, it is often the lack of platform and performance portability. Against this background, we designed the Ginkgo library with the primary focus on platform portability and the ability to not only port to new hardware architectures, but also achieve good performance. In this paper we present the Ginkgo library design, radically separating algorithms from hardware-specific kernels forming the distinct hardware executors, and report our experience when adding execution backends for NVIDIA, AMD, and Intel GPUs. We also comment on the different levels of performance portability, and the performance we achieved on the distinct hardware backends.

cs.DC

Resiliency in Numerical Algorithm Design for Extreme Scale Simulations

This work is based on the seminar titled ``Resiliency in Numerical Algorithm Design for Extreme Scale Simulations'' held March 1-6, 2020 at Schloss Dagstuhl, that was attended by all the authors. Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge.

cs.DC