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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Enhancing ZFP: A Statistical Approach to Understanding and Reducing Error Bias in a Lossy Floating-Point Compression Algorithm

The amount of data generated and gathered in scientific simulations and data collection applications is continuously growing, putting mounting pressure on storage and bandwidth concerns. A means of reducing such issues is data compression; but, lossless data compression is typically ineffective when applied to floating-point data. Thus, users tend to apply a lossy data compressor, which allows for small deviations from the original data. It is essential to understand how the error from lossy compression impacts the accuracy of the data analytics. Thus, we must analyze not only the compression properties but the error as well. In this paper, we provide a statistical analysis of the error caused by ZFP compression, a state-of-the-art, lossy compression algorithm explicitly designed for floating-point data. We show that the error is indeed biased and propose simple modifications to the algorithm to neutralize the bias and further reduce the resulting error.

97 MATHEMATICS AND COMPUTING↗

CODARcode/MGARD

MGARD is a software providing error-controlled lossy compression and data refactoring based on multi-grid theories. It transforms floating-point scientific data into a multilevel representation, followed by quantization and lossless encoding processes, resulting in a self-describing compressed buffer. It supports diverse data topologies, error control norms, and computing architectures.

Chen, Jieyang [University of Oregon]↗

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

A General Framework for Progressive Data Compression and Retrieval

In scientific simulations, observations, and experiments, the transfer of data to and from disk and across networks has become a major bottleneck for data analysis and visualization. Compression techniques have been employed to tackle this challenge, but traditional lossy methods often demand conservative error tolerances to meet the numerical accuracy requirements of both anticipated and unknown data analysis tasks. Progressive data compression and retrieval has emerged as a promising solution, where each analysis task dictates its own accuracy needs. However, few analysis algorithms inherently support progressive data processing, and adapting compression techniques, file formats, client/server frameworks, and APIs to support progressivity can be challenging. Here, this paper presents a framework that enables progressive-precision data queries for any data compressor or numerical representation. Our strategy hinges on a multi-component representation that successively reduces the error between the original and compressed field, allowing each field in the progressive sequence to be expressed as a partial sum of components. We have implemented this approach with four established scientific data compressors and assessed its effectiveness using real-world data sets from the SDRBench collection. The results show that our framework competes in accuracy with the standalone compressors it is based upon. Additionally, (de)compression time is proportional to the number of components requested by the user. Finally, our framework allows for fully lossless compression using lossy compressors when a sufficient number of components are employed.

97 MATHEMATICS AND COMPUTING↗

A General Framework for Error-controlled Unstructured Scientific Data Compression

Data compression plays a key role in reducing storage and I/O costs. Traditional lossy methods primarily target data on rectilinear grids and cannot leverage the spatial coherence in unstructured mesh data, leading to suboptimal compression ratios. We present a multi-component, error-bounded compression framework designed to enhance the compression of floating-point unstructured mesh data, which is common in scientific applications. Our approach involves interpolating mesh data onto a rectilinear grid and then separately compressing the grid interpolation and the interpolation residuals. This method is general, independent of mesh types and typologies, and can be seamlessly integrated with existing lossy compressors for improved performance. We evaluated our framework across twelve variables from two synthetic datasets and two real-world simulation datasets. The results indicate that the multi-component framework consistently outperforms state-of-the-art lossy compressors on unstructured data, achieving, on average, a 2.3 − 3.5× improvement in compression ratios, with error bounds ranging from 1 × 10 the −6 to 1×10−2. We further investigate impact of hyperparameters, such as grid spacing and error allocation, to deliver optimal compression ratios in diverse datasets.

Gong, Qian↗

Ocelot: An Interactive, Efficient Distributed Compression-As-a-Service Platform With Optimized Data Compression Techniques

Large volumes of data generated by scientific simulations, genome sequencing, and other applications need to be moved among clusters for data collection/analysis. Data compression techniques have effectively reduced data storage and transfer costs. However, users' requirements on interactively controlling both data quality and compression ratios are non-trivial to fulfill. Here, we propose a novel Compression-as-a-Service (CaaS) platform called Ocelot with four important contributions: (1) It offers real-time visualization, interactive compression, and transfer of scientific datasets. (2) It incorporates new strategies for compressing diverse types of datasets more effectively than traditional methods. (3) It provides an effective method for estimating the compression ratio and execution time of compression tasks. (4) Experiments on multiple real-world datasets on geographically distributed computers show that Ocelot can significantly improve data transfer efficiency with a performance gain of more than 10x in computing clusters with relatively slow networks.

compression as a service (CaaS)↗

FTTN: Feature-Targeted Testing for Numerical Properties of NVIDIA & AMD Matrix Accelerators

While NVIDIA has been the dominant provider of GPUs for HPC and ML, now AMD has several offerings of GPUs. This encourages programmers to try out AMD GPUs for new codes and also port existing codes over. Unfortunately, without understanding the floating-point differences between these GPU types, software development or porting can introduce bugs—and currently such an understanding is lacking. The magnitude of this open question becomes clear if one imagines the the number of floating-point precision choices (FP16, FP32, etc.), floating-point formats (standard floats, brain-float, etc.), and execution units available (elementary units, matrix/tensor cores, etc.) Questions such as rounding modes and subnormal support are also important. Most of these answers are unknown today or are hard to access. We provide the first testing-guided approach that answers a significant number of these questions. We also devise tests to reveal internal information (e.g., extra bits kept) to make sure that our findings are reliable. Many of our tests employ systematically generated random-programs, others apply fast-math flags and some involve fused multiplyadd. Especially for tensor/matrix cores, the tests have nontrivial logic that we present Our testing approach is reusable for the plethora of GPUs yet to be introduced. Our findings include up to 7 ulps of difference between NVIDIA and AMD for sin and cos at FP32 precision and 3 ulp at FP64. In our study of matrix cores (NVIDIA) and tensor cores (AMD), we have extensively characterized rounding modes (truncation versus round-to-nearest), the number of extra internal bits kept (whether 3 bits are kept or not), subnormal support for inputs and outputs across four different floating-point formats and across NVIDIA A100 and AMD MI250X GPUs. We believe that this wealth of data becoming available for the first time may help avoid significant porting bugs when migrating code across these platforms.

Li, Xinyi↗

Bridging the Gap Between LLMs and LNS with Dynamic Data Format and Architecture Codesign

Deep neural networks (DNNs) have achieved tremendous success in the past few years. However, their training and inference demand exceptional computational and memory resources. Quantization has been shown as an effective approach to mitigate the cost, with the mainstream data types reduced from FP32 to FP16/BF16 and recently FP8 in the latest NVIDIA H100 GPUs. With increasingly aggressive quantization, however, the conventional floating-point formats suffer from limited precision in representing numbers around zero. Recently, NVIDIA demonstrated the potential of using a Logarithmic Number System (LNS) for the next generation of tensor cores. While LNS mitigates the hurdles in representing small numbers, in this work we observed a mismatch between LNS and the emerging Large Language Models (LLM), where LLM exhibits significant outliers when directly adopting the LNS format. In this paper, we present a data-format/architecture codesign to bright this gap. On the format side, we propose a dynamic LNS format to flexibly represent outliers at a higher precision, by exploiting asymmetry in the LNS representation and identifying outliers through a per-vector basis. On the architecture side, for demonstration, we realize the dynamic LNS format in a systolic array, which can handle the irregularity of the outliers at runtime. We implement our approach on an Alveo U280 FPGA as a prototype. Experimental results show that our design can effectively handle the outliers and resolve the mismatch between LNS and LLM, contributing to an accuracy improvement of 15.4% and 16% over the floating-point and the original LNS baselines, using four state-of-the-art LLM models. Our observation and design lay a solid foundation for the large-scale adoption of the LNS format in the next-generation deep learning hardware.

Haghi, Pouya↗

Accelerating Floating-Point Computations with Intel AMX

Intel AMX is a built-in component of recent Intel CPU architectures, first supported by the Intel Sapphire Rapids in 2023, that enables efficient dense matrix multiplications using mixed precision with low-precision data types. The popularity of mixed-precision algorithms has grown recently, primarily due to their use on GPUs to enhance the efficiency of HPC applications, particularly for the training of large language models. The availability of mixed precision on CPUs represents a cost-effective solution for applications where high speed is not critical. This report shows how to use the Intel AMX accelerator through examples in C++ and Python. The examples will focus on mixed-precision floating-point operations obtained by the use of bfloat16 (or BF16) to accelerate code in single precision. We employ a bottom-up methodology, starting from specific register instructions (TMUL operation) to higher-level applications in libraries such as Intel MKL, PyTorch, and TensorFlow, ensuring a comprehensive understanding of the accelerator's potential. Additionally, we provide insights into the expected performance gains when leveraging the accelerator on the Kestrel HPC machine at the National Renewable Energy Laboratory.

97 MATHEMATICS AND COMPUTING↗

A 28 nm multiply-accumulate ASIC architecture for on-chip data compression in MHz frame rate X-ray and electron pixel detectors

Modern X-ray detector systems urgently require compact, efficient, and fast data compression schemes to handle the transmission of big data from pixel arrays, enabling frame rates in the MHz regime. Here, in this work, a data compression ASIC that implements a streaming fixed-length lossy compression scheme is introduced and analyzed, proving the feasibility and benefits of on-chip compression. The compression scheme utilizes a vector matrix product logic, which performs a number of floating-point multiplications, additions, and accumulations. The logic is verified, synthesized, and shown to fit in the area resource available for the X-ray detector under study, which comprises 192 × 168 pixels each of 12-bit width, and having a total area of 20 mm× 20 mm, about 2 mm× 20 mm of which are available for the digital logic. Several system architectures, precisions, and compression ratios ranging from 100 to 250 were analyzed to pave the way for on-chip fixed-length compression (e.g., principal component analysis, singular value decomposition) and data reduction (e.g., azimuthal integration) for X-ray and electron detectors.

Data compression↗

Leveraging explainable AI to characterize floating-point exceptions in linear solvers

Linear solver packages are central to many scientific, engineering, and machine learning applications. When floating-point exceptions occur in these solvers, e.g., division by zero or overflow, numerical results are compromised and become unreliable. Existing static and dynamic analysis tools can detect such exceptions, but they do not explain why the exceptions occur in terms of the solver inputs. Here, we present a study to characterize the inputs that cause numerical exceptions in linear solver packages. Our approach uses explainable AI (XAI) to find the most relevant characteristics of input matrices that explain the occurrence of exceptions in the solvers. Since training data in this domain is scarce, we perform extensive data gathering and data augmentation to obtain exception-inducing inputs. Our approach uses a repair strategy on the features blamed by XAI to validate that such features indeed explain the exceptions. We compare the LIME and SHAP XAI techniques using a dozen matrix features with three classifiers. We evaluate the approach on three widely used linear solver packages and find that some input characteristics can explain the occurrence of exceptions 100% of the time, in specific solvers and preconditioners.

Explainable AI↗

Empirically-calibrated H100 node power models for accurate AI training energy estimation

Accurately quantifying the energy use of artificial intelligence (AI) training is critical for infrastructure planning, carbon accounting, and sustainable data center operation, but few studies have directly measured the power consumption of production workloads on contemporary hardware. By combining empirical measurements from Brookhaven National Laboratory during AI training on 8-graphics-processing-unit H100 systems with open-source benchmarking data, we develop statistical models relating computational intensity to node-level power consumption. We measure the gap between manufacturer-rated thermal design power (TDP) and actual power demand during AI training. Our analysis reveals that even computationally intensive workloads operate at only 76% of the 10.2 kW TDP rating. Our architecture-specific model, calibrated to floating-point operations, predicts energy consumption with 11.4% mean absolute percentage error, significantly outperforming TDP-based approaches (27%–37% error). We identified distinct power signatures between transformer and convolutional neural network architectures, with transformers showing characteristic fluctuations that may impact grid stability. These results provide a measurement-grounded basis for improving AI training energy estimates, enabling more reliable infrastructure sizing, cost projections, and environmental impact assessments.

Newkirk, Alex C↗

Fast and Accurate Intersections on a Sphere

We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and numerical robustness over the ones traditionally implemented in geoscience software. We then show how algorithms based on the concept of error-free transformations (EFT) can be applied to evaluate this formula within a relative error bound that is on the order of machine precision. Here, we demonstrate that, with a vectorized and parallelized implementation, this enhanced accuracy is achieved with no compute time overhead compared to a direct calculation in hardware floating point, making our algorithm suitable for performance-sensitive applications like regridding of high-resolution climate data. In contrast, evaluating our formula using high-precision data types like quadruple precision and arbitrary precision, or using the robust intersection computation routines from the Computational Geometry Algorithms Library, leads to significant computational overhead, especially since these alternatives inhibit vectorization. More generally, our work demonstrates how EFT techniques can be combined and extended to implement nontrivial geometric calculations with high accuracy and speed.

Environmental sciences↗