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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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24 records · Page 2

DeepHyper: A Python Package for Massively Parallel Hyperparameter Optimization in Machine Learning

Machine learning models are increasingly applied across scientific disciplines, yet their effectiveness often hinges on heuristic decisions—such as data transformations, training strategies, and model architectures—that are not learned by the models themselves. Automating the selection of these heuristics and analyzing their sensitivity is crucial for building robust and efficient learning workflows. DeepHyper addresses this challenge by democratizing hyperparameter optimization, providing accessible tools to streamline and enhance machine learning workflows from a laptop to the largest supercomputer in the world. Building on top of hyperparameter optimization, it unlocks new capabilities around ensembles of models for improved accuracy and uncertainty quantification. All of these organized around efficient parallel computing.

ensemble

The Baltimore Community Weather Station Network: Filling the Urban Measurement Desert

Quantification and understanding of how heat, rainfall, and air quality vary within cities are needed to identify the area with the worst conditions, develop solutions to extreme weather, and assess the impact of proposed policies. However, neighborhood-level variability is not well quantified because there are few environmental measurement stations within cities. In Baltimore City, a community-based network of weather stations to address this issue has been developed through a partnership between universities, state agencies, and Baltimore residents. The weather stations are hosted by community partners, and the data collected are enabling the mapping of urban weather across the city and the testing of models and proposed mitigation strategies. In addition, the network provides direct community involvement, with resulting benefits of increased community engagement, education, and empowerment. Researchers have an opportunity to democratize the scientific process and ensure that local knowledge and lived experiences of city residents inform future decision-making. The approach could be used as a model for other cities that apply similar monitoring instruments for other environmental exposures.

community

A foundation model for atomistic materials chemistry

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model-and its qualitative and at times quantitative accuracy-on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or "foundation" model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields.

Batatia, Ilyes

DC Cryogenic Modeling of Open-Source SkyWater 130 nm MOSFETs at 77 K Using BSIM4

Cryogenic applications in high-energy physics (HEP) demand reliable, low-power CMOS electronics capable of operating at liquid nitrogen temperatures (77 K). The open-source SkyWater 130nm (SKY130) CMOS process has previously been shown to operate at temperatures as low as 4 K making it a promising candidate for HEP applications. In this work, we characterize and model SKY130 low-threshold voltage transistors at 77 K, which is a temperature commonly used in modeling applications for liquid argon detectors. DC characteristic measurements were performed at both room temperature and liquid nitrogen temperature. We created a cryogenic modeling approach to produce a SPICE-compatible, isothermal BSIM4-based model for select transistor sizes at 77 K. The resulting model agrees with data at 77 K with an average error on the order of 20% (relative RMS) and shows no dependence on drain voltage. Due to the open-source nature of SKY130, we have made our models publicly available on Github. We hope this work will continue the trend for democratizing circuit design at cryogenic temperatures in high-energy physics by enabling open access to accurate cryogenic CMOS device models at 77 K.

Beall, F. [Texas U., Arlington]

Development and flight-testing of modular autonomous cultivation systems for biological plastics upcycling aboard the ISS

Cultivation of microorganisms in space has enormous potential to enable in-situ resource utilization (ISRU) Here, we develop an autonomous payload with fully programmable serial passaging and sample preservation, termed the Modular Open Biological Platform (MOBP), and flight-test the MOBP aboard the International Space Station (ISS) by conducting enzymatic and microbial plastics upcycling experiments. The MOBP is a compact, modular bioreactor system that allows for sustained microbial growth via automated media transfers, such as those for sample collection and storage for terrestrial analyses, and precise data monitoring from integrated sensors. The MOBP was flight-tested with two experiments designed to evaluate biological upcycling of the plastic poly(ethylene terephthalate) (PET). The bioproduct βKA can be polymerized into a nylon-6,6 analog with improved properties for use in the production of a variety of materials. We posit the MOBP will aid in democratizing the execution of synthetic biology in spaceflight towards enabling ISRU.

09 BIOMASS FUELS

PySolate : A Python‐Based Thresholding Tool to Denoise or Designal Seismic Waveforms Based on the Continuous Wavelet Transform

PySolate is a Python‐based toolset that implements the continuous wavelet transform and nonlinear thresholding operations to denoise or designal seismic data, following Langston and Mousavi (2019). This filtering approach can remove microseismic noise to isolate intermediate‐period seismic signals that are key to enabling full‐waveform modeling and analysis of smaller‐magnitude regional events. This approach is best for the application to signals with frequency or time separation of signal and noise, in contrast to Fourier analysis, which is effective when signal and noise are separated in frequency. We demonstrate the Python toolset using the six announced Democratic People’s Republic of Korea declared nuclear tests, showing the effectiveness of isolating the seismic signal compared to standard bandpass filtering. In conclusion, we also demonstrate the ease of using the toolset with any Python processing tools.

Asia