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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

RAPIDS: Reconciling Availability, Accuracy, and Performance in Managing Geo-Distributed Scientific Data

In modern science, big data plays an increasingly important role. Many scientific applications, such as running simulations on supercomputers or conducting experiments on advanced instruments, produce huge amount of data at unprecedented speed. Analyzing and understanding such big data is the key for scientists to make scientific breakthroughs. However, data might become unavailable for scientists to access when outages or maintenance of the storage system occur, which severely hinders scientific discovery. To improve the data availability, data duplication and erasure coding (EC) are often used. But as the scientific data gets larger, using these two methods can cause considerable storage and network overhead.In this paper, we propose RAPIDS, a hybrid approach that combines the multigrid-based error-bounded lossy compression with erasure coding, to significantly reduce the storage and network overhead required for maintaining high data availability. Our experiments show that RAPIDS reduces the storage overhead by up to 7.5x and network overhead by up to 3x to achieve the same level of availability compared to the regular EC method. We improve RAPIDS by building two models to optimize the fault tolerance configurations and data gathering strategy. We demonstrate that RAPIDS significantly improves performance when running on many CPU cores in parallel or on GPUs.

Wan, Lipeng↗
DOE OSTI2025

Understanding and Estimating Error Propagation in Neural Networks for Scientific Data Analysis

Neural networks are increasingly integrated into scientific discovery, where input data reduction and model quantization play a key role in accelerating inference. However, understanding and mitigating the impact of these techniques on output error is critical for ensuring reliable results, particularly in tasks demanding high numerical precision. This paper introduces a comprehensive framework for optimizing neural network inference in scientific computing by combining data reduction and weight quantization while maintaining error-controlled outcomes. We develop theoretical analyses to bound error propagation under these reductions and propose a framework that balances computational performance with error constraints. Evaluation on real-world learning-based combustion simulations and satellite image classification demonstrates that our derived error bounds accurately predict observed errors while enabling significant computational speedup under our framework. This work highlights the potential for further leveraging advancements in modern lossy compression algorithms and hardware accelerators that support lower-precision formats.

He, Weiming [New Jersey Institute of Technology]↗
DOE OSTI2022

Error-Bounded Learned Scientific Data Compression with Preservation of Derived Quantities

Scientific applications continue to grow and produce extremely large amounts of data, which require efficient compression algorithms for long-term storage. Compression errors in scientific applications can have a deleterious impact on downstream processing. Thus, it is crucial to preserve all the “known” Quantities of Interest (QoI) during compression. To address this issue, most existing approaches guarantee the reconstruction error of the original data or primary data (PD), but cannot directly control the problem of preserving the QoI. In this work, we propose a physics-informed compression technique that is composed of two parts: (i) reduction of the PD with bounded errors and (ii) preservation of the QoI. In the first step, we combine tensor decompositions, autoencoders, product quantizers, and error-bounded lossy compressors to bound the reconstruction error at high levels of compression. In the second step, we use constraint satisfaction post-processing followed by quantization to preserve the QoI. To illustrate the challenges of reducing the reconstruction errors of the PD and QoI, we focus on simulation data generated by a large-scale fusion code, XGC, which can produce tens of petabytes in a single day. The results show that our approach can achieve a high compression amount while accurately preserving the QoI within scientifically acceptable bounds.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

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↗
DOE OSTI2022

Scientific data from precipitation driver response model intercomparison project

This data descriptor reports the main scientific values from General Circulation Models (GCMs) in the Precipitation Driver and Response Model Intercomparison Project (PDRMIP). The purpose of the GCM simulations has been to enhance the scientific understanding of how changes in greenhouse gases, aerosols, and incoming solar radiation perturb the Earth’s radiation balance and its climate response in terms of changes in temperature and precipitation. Here we provide global and annual mean results for a large set of coupled atmospheric-ocean GCM simulations and a description of how to easily extract files from the dataset. The simulations consist of single idealized perturbations to the climate system and have been shown to achieve important insight in complex climate simulations. We therefore expect this data set to be valuable and highly used to understand simulations from complex GCMs and Earth System Models for various phases of the Coupled Model Intercomparison Project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Immersive Visualization for Scientific Data Analysis

We will present the use of immersive visualization at the National Renewable Energy Laboratory (NREL), showcasing how immersive visualization is advancing scientific research and engineering practices and transforming our day-to-day operations. We are leveraging immersive visualization to support scientific discovery and engineering in various domains, including material design, computational fluid dynamics, immersive analytics, grid modernization, digital twins, and situated visualization. We have observed several benefits across four key areas: enhanced spatial judgments, improved understanding through interaction, increased capacity to embed high-dimensional data, and improved collaboration.

immersive analytics↗
DOE OSTI2023

Advanced Visualization for Scientific Data Analysis and Insight [Slides]

This talk will explore how we have used advanced visualization technologies to support analytical reasoning and knowledge discovery. Specifically, we will present several examples detailing some recent scientific successes using state-of-the-art immersive and high-resolution visualization at the National Renewable Energy Laboratory's Computational Science Center. On multiple occasions, we have observed scientists and engineers discover features in their data using advanced visualization technologies that they had not seen in prior investigations of their data on traditional desktop displays. We have embedded more information into our analytics tools, allowing engineers to explore complex multivariate spaces. We have observed how interactions seem to catalyze understanding.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Hypothesis testing via AI: Generating physically interpretable models of scientific data with machine learning (Full Technical Report)

Deep learning has demonstrated an exceptional ability to solve complex tasks (an engineering success); however, it has done so at the expense of the ability to generate new knowledge (a scientific failure). We propose an alternative framework—entitled Deep Symbolic Regression (DSR)—in which artificial neural networks (NNs) rapidly generate hypotheses about physical relationships among inputs. This framework bypasses the need to interpret an NN altogether, while still leveraging the representational power of deep learning. The resulting models are tractable mathematical expressions, which are inherently and readily human interpretable and can provide insights into underlying physical phenomena. Further, we fold this methodology into the scientific process by allowing the scientist to directly integrate a priori knowledge and beliefs to accelerate learning. We demonstrate this methodology on symbolic regression—the problem of rediscovering underlying expressions describing a dataset—and achieve state-of-the-art performance across a wide variety of symbolic regression problems. Further, we generalize our DSR framework to apply to the more general class of symbolic optimization problems, in which one seeks to optimize a sequence of symbols or “tokens” under a black-box reward function. Examples of other symbolic optimization problems include neural architecture search and computational antibody design. Our generalized tool, Deep Symbolic Optimization (DSO), has been demonstrated on the task of learning symbolic control policies for reinforcement learning environments, and has been adopted as an enabling capability for computational antibody design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A High-Quality Workflow for Multi-Resolution Scientific Data Reduction and Visualization

Multi-resolution methods such as Adaptive Mesh Refinement (AMR) can enhance storage efficiency for HPC applications generating vast volumes of data. However, their applicability is limited and cannot be universally deployed across all applications. Furthermore, integrating lossy compression with multi-resolution techniques to further boost storage efficiency encounters significant barriers. To this end, we introduce an innovative workflow that facilitates high-quality multi-resolution data compression for both uniform and AMR simulations. Initially, to extend the usability of multi-resolution techniques, our workflow employs a compression-oriented Region of Interest (ROI) extraction method, transforming uniform data into a multi-resolution format. Subsequently, to bridge the gap between multi-resolution techniques and lossy compressors, we optimize three distinct compressors, ensuring their optimal performance on multi-resolution data. These optimizations can improve the compression ratio of SOTA approaches by up to 3.3× under the same data quality loss. Lastly, we incorporate an advanced uncertainty visualization method into our workflow to understand the potential impacts of lossy compression. Experimental evaluation demonstrates that our workflow achieves significant compression quality improvements.

Wang, Daoce↗
DOE OSTI2022

Deep Hierarchical Super Resolution for Scientific Data

We present a novel technique for hierarchical super resolution (SR) with neural networks (NNs), which upscales volumetric data represented with an octree data structure to a high-resolution uniform gridwith minimal seam artifacts on octree node boundaries. Our method uses existing state-of-the-art SR models and adds flexibility to upscale input data with varying levels of detail across the domain, instead of only uniform grid data that are supported in previous approaches.The key is to use a hierarchy of SR NNs, each trained to perform 2x SR between two levels of detail, with a hierarchical SR algorithm that minimizes seam artifacts by starting from the coarsest level of detail and working up.We show that our hierarchical approach outperforms baseline interpolation and hierarchical upscaling methods, and demonstrate the usefulness of our proposed approach across three use cases including data reduction using hierarchical downsampling+SR instead of uniform downsampling+SR, computation savings for hierarchical finite-time Lyapunov exponent field calculation, and super-resolving low-resolution simulation results for a high-resolution approximation visualization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Advanced Inversion Algorithms for Scientific Data Analysis [Slides]

Accurate subsurface characterization is crucial for all subsurface energy exploration. Accurate characterization of uncertain subsurface properties is also critical for monitoring storage of CO 2 , estimating pathways of subsurface contaminant transport, and monitoring potential nuclear explosions for treaty verification. This research will advance our world-leading subsurface sensing capabilities that are crucial for LANL missions in energy security (geothermal energy, oil/gas resource exploration, geologic carbon storage) and nuclear security (facility monitoring, detonation detection).

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Bayesian Tensor Decompositions for Scalable Supervised Learning of Scientific Data (Final Report)

In this document we highlight the detailed accomplishments and progress that we have made in this period. This progress seeks to address the three main objectives to provide new algorithms for quantifying uncertainty in low-multilinear-rank models and to leverage them for data analysis. These include: (1) develop probabilistic models for low-multilinear-rank functions; (2) develop a suite of Bayesian learning approaches to learn the probabilistic models from data; (3) apply the techniques on challenging problems arising in DOE-relevant applications.

97 MATHEMATICS AND COMPUTING↗