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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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Evolving to Data Science or How to Succeed at Sandia without doing Scientific Computing.
Abstract not provided.
Sandia Insights ? A Data Sciences Architecture and Framework.
Abstract not provided.
Chapel/C++ Interoperability: Enabling Large-Scale Data Science without Costly I/O.
Abstract not provided.
Data Science for the Advancement of Magnetically Driven Inertial Fusion [Slides]
Gravitational confinement is clearly very effective but what can we do on Earth? Magnetic confinement has been studied since around 1950. Inertial confinement has been associated with lasers for over 50 years. We have made steady progress in both MCF and ICF over the last half-century.
RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence
Final Technical Report for DE-SC0021343
Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence
The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.
Data Science in AD
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AMPPD: Bringing modern Data Science and Machine Learning methods to HED Science`.
Abstract not provided.
Spacepy, Open-source software for space science data analysis and modelling
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Vicente Pena Perez 08739 Extreme-Scale Data Science & Analytics, Sandia National Laboratories.
Abstract not provided.
DEVELOPMENT OF A MULTI-SENSOR DATA SCIENCE SYSTEM USED FOR SIGNATURE DEVELOPMENT ON SOLVENT EXTRACTION PROCESSES IN SUPPORT OF SAFEGUARDS – AN OVERVIEW (Presentation)
This presentation is for the paper INL/CON-22-65800
RAPIDS-2: a SciDAC Institute for Resource and Application Productivity through Computation, Information, and Data Science Final Report (University of Oregon)
Final report
A semi-agnostic ansatz with variable structure for variational quantum algorithms
Quantum machine learning—and specifically Variational Quantum Algorithms (VQAs)—offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for VQAs. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.
Data for NB6 HBRR Science Design ORNL/TM-2025/3807
Data for the report (ORNL/TM-2025/3807) that describes the calculations and the Monte Carlo Ray Tracing simulations performed using the McStas package to determine the coatings and geometry for the NB-6 guide. It provides the information to inform the mechanical design, validation tests and verification that it meets the science requirements.