Many scientific applications opt for particles instead of meshes as their basic primitives to model complex systems composed of billions of discrete entities. Such applications span a diverse array of scientific domains, including molecular dynamics, cosmology, computational fluid dynamics, and geology. The scale of the particles in those scientific applications increases substantially thanks to the ever-increasing computational power in high-performance computing (HPC) platforms. However, the actual gains from such increases are often undercut by obstacles in data management systems related to data storage, transfer, and processing. Lossy compression has been widely recognized as a promising solution to enhance scientific data management systems regarding such challenges, although most existing compression solutions are tailored for Cartesian grids and thus have sub-optimal results on discrete particle data. In this paper, we introduce LCP, an innovative lossy compressor designed for particle datasets, offering superior compression quality and higher speed than existing compression solutions. Specifically, our contribution is threefold. (1) We propose LCP-S, an error-bound aware block-wise spatial compressor to efficiently reduce particle data size while satisfying the pre-defined error criteria. This approach is universally applicable to particle data across various domains, eliminating the need for reliance on specific application domain characteristics. (2) We develop LCP, a hybrid compression solution for multi-frame particle data, featuring dynamic method selection and parameter optimization. It aims to maximize compression effectiveness while preserving data quality as much as possible by utilizing both spatial and temporal domains. (3) We evaluate our solution alongside eight state-of-the-art alternatives on eight real-world particle datasets from seven distinct domains. The results demonstrate that our solution achieves up to 104% improvement in compression ratios and up to 593% increase in speed compared to the second-best option, under the same error criteria.

Error-bounded lossy compression has been widely adopted in many scientific domains because it can address the challenges in storing, transferring, and analyzing unprecedented amounts of scientific data. However, general error-bounded lossy compressors may fail to meet additional quality requirements for downstream analysis, a.k.a. Quantities of Interest (QoIs). This may lead to uncertainties and even misinterpretations in scientific discoveries, significantly limiting the use of lossy compression in practice. In this paper, we propose QPET, a novel, versatile, and portable framework for QoI-preserving error-bounded lossy compression, which overcomes the challenges of modeling diverse QoIs by leveraging numerical strategies. QPET features (1) high portability to multiple existing lossy compressors, (2) versatile preservation to most differentiable univariate and multivariate QoIs, and (3) significant compression improvements in QoI-preservation tasks. Experiments with six real-world datasets demonstrate that integrating QPET into state-of-the-art error-bounded lossy compressors can gain 2x to 10x compression speedups of existing QoI-preserving error-bounded lossy compression solutions, up to 1000% compression ratio improvements to general-purpose compressors, and up to 133% compression ratio improvements to existing QoI-integrated scientific compressors.

Lossy compression has been employed to reduce the unprecedented amount of data produced by today's large-scale scientific simulations and high-resolution instruments. To avoid loss of critical information, state-of-the-art scientific lossy compressors provide error controls on relatively simple metrics such as absolute error bound. However, preserving these metrics does not translate to the preservation of topological features, such as critical points in vector fields. To address this problem, we investigate how to effectively preserve the sign of determinant in error-controlled lossy compression, as it is an important quantity of interest used for the robust detection of many topological features. Our contribution is three-fold. (1) We develop a generic theory to derive the allowable perturbation for one row of a matrix while preserving its sign of the determinant. As a practical use-case, we apply this theory to preserve critical points in vector fields because critical point detection can be reduced to the result of the point-in-simplex test that purely relies on the sign of determinants. (2) We optimize this algorithm with a speculative compression scheme to allow for high compression ratios and efficiently parallelize it in distributed environments. (3) We perform solid experiments with real-world datasets, demonstrating that our method achieves up to 440% improvements in compression ratios over state-of-the-art lossy compressors when all critical points need to be preserved. Using the parallelization strategies, our method delivers up to 1.25 x and 4.38 x performance speedup in data writing and reading compared with the vanilla approach without compression.

Error-bounded lossy compression has been identified as a promising solution for significantly reducing scientific data volumes upon users' requirements on data distortion. For the existing scientific error-bounded lossy compressors, some of them (such as SPERR and FAZ) can reach fairly high compression ratios and some others (such as SZx, SZ, and ZFP) feature high compression speeds, but they rarely exhibit both high ratio and high speed meanwhile. In this paper, we propose HPEZ with newly-designed interpolations and quality-metric-driven auto-tuning, which features significantly improved compression quality upon the existing high-performance compressors, meanwhile being exceedingly faster than high-ratio compressors. The key contributions lie as follows: (1) We develop a series of advanced techniques such as interpolation re-ordering, multi-dimensional interpolation, and natural cubic splines to significantly improve compression qualities with interpolation-based data prediction. (2) The auto-tuning module in HPEZ has been carefully designed with novel strategies, including but not limited to block-wise interpolation tuning, dynamic dimension freezing, and Lorenzo tuning. (3) We thoroughly evaluate HPEZ compared with many other compressors on six real-world scientific datasets. Experiments show that HPEZ outperforms other high-performance error-bounded lossy compressors in compression ratio by up to 140% under the same error bound, and by up to 360% under the same PSNR. In parallel data transfer experiments on the distributed database, HPEZ achieves a significant performance gain with up to 40% time cost reduction over the second-best compressor.

To address the challenges raised by the data management of exascale scientific data, error-bounded lossy compression has been proposed and well-researched as a prominent solution. Among the existing works, a recent trend leverages wavelet transforms in the error-bounded lossy compression task to effectively capture long-term data correlations within the inputs. Applying those transforms as data preprocessors and decorrelators, wavelet-based lossy compressors have achieved optimized compression rate-distortion on several datasets. However, certain significant limitations of wavelet-based compressors have also been observed: On one hand, attributed to the high computational cost of wavelet transforms, wavelet-based compressors suffer from relatively low computational efficiencies compared to other state-of-the-art compressors. On the other hand, one certain type of wavelet transform cannot perform well on all variations of scientific data. Consequently, to further fine-tune the wavelet-based scientific data lossy compression, more in-depth and systematic research and analysis needs to be conducted. In this paper, based on the FAZ auto-tuning-based modular compression framework, we have integrated a great number of wavelet transforms into the framework and evaluated them with various real-world scientific datasets and fields. From the analysis of those evaluations and the comparison to existing state-of-the-art wavelet-based and non-wavelet-based error-bounded lossy compressors, we conclude and present several essential takeaways for designing and optimizing the wavelet-based scientific error-bounded lossy compressor.

The fast growth of computational power and scales of modern super-computing systems have raised great challenges for the management of exascale scientific data. To maintain the usability of scientific data, error-bound lossy compression is proposed and developed as an essential technique for the size reduction of scientific data with constrained data distortion. Among the diverse datasets generated by various scientific simulations, certain datasets cannot be effectively compressed by existing error-bounded lossy compressors with traditional techniques. The recent success of Artificial Intelligence has inspired several researchers to integrate neural networks into error-bounded lossy compressors. However, those works still suffer from limited compression ratios and/or extremely low efficiencies. To address those issues and improve the compression on the hard-to-compress datasets, in this paper, we propose SRNNSZ, which is a deep learning-based scientific error-bounded lossy compressor leveraging the hierarchical data grid expansion paradigm implemented by super-resolution neural networks. SRNN-SZ applies the most advanced super-resolution network HAT for its compression, which is free of time-costing per-data training. In experiments compared with various state-of-the-art compressors, SRNN-SZ achieves up to 75% compression ratio improvements under the same error bound and up to 80% compression ratio improvements under the same PSNR than the second-best compressor.

The K-means algorithm is one of the simplest and most universal clustering algorithms. Significant work has been carried out over several years to improve its performance in both academic and industrial applications. Researchers have optimized K-means not only on the algorithm level but also on the architecture level. Notably, GEMM, a rigorously studied matrix multiplication operation, has been used to speed up the Euclidean-distance calculations in the K-means algorithm. The Intel DAAL library currently provides a fast K-means implementation based on the Intel Math Kernel Library GEMM subroutine and low-level architecture information. However, in spite of utilizing the MKL GEMM subroutine and architecture properties, the performance of the state-of-the-art K-means implementation is still far from its hardware peak performance. This paper presents a faster fused-matrix K-means kernel that is superior to current K-means designs. Based on our experimental results, the fused matrix K-means kernel runs around 76% faster than the state-of-the-art Intel DAAL K-means algorithm and is able to achieve nearly double floating point performance on Intel x86-84 Ivy micro-architectures.

In the past decades, various lossy compressors have been studied broadly due to the ever-increasing volume of data being produced by today’s scientific applications. SZ has been one of the best error-bounded lossy compressors ever raised, and it has a flexible framework that includes four adjustable steps: prediction, quantization, variable-length encoding, and lossless compression. In this paper, we improve the lossy compression performances of the SZ compression model by exploring different existing lossless compression techniques using the Squash data compression benchmark. Specifically, we first characterize the bytes outputted by the first three steps in SZ, then we investigate the best lossless compressor with different datasets and different error bounds. We perform our exploration by testing 8 widely used lossless compressors under different configurations together with SZ over five well-known scientific simulation datasets. Our experiments show that adopting the best-fit lossless compressor selected based on our analysis can improve the overall compression speed by up to 40% compared to the previous lossless compression technique used in SZ with the comparable quality of reconstructed data.