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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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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

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↗
DOE OSTI2021

Search for dark matter produced in association with a leptonically decaying Z boson in proton-proton collisions at $\sqrt{s} =$ 13 TeV

A search for dark matter particles is performed using events with a Z boson candidate and large missing transverse momentum. The analysis is based on proton–proton collision data at a center-of-mass energy of 13$\,\text {Te}\text {V}$, collected by the CMS experiment at the LHC in 2016–2018, corresponding to an integrated luminosity of 137$\,\text {fb}^{-1}$. The search uses the decay channels ${\mathrm{Z}} \rightarrow {\mathrm{e}} {\mathrm{e}} $ and ${\mathrm{Z}} \rightarrow {{\upmu }{}{}} {{\upmu }{}{}} $. No significant excess of events is observed over the background expected from the standard model. Limits are set on dark matter particle production in the context of simplified models with vector, axial-vector, scalar, and pseudoscalar mediators, as well as on a two-Higgs-doublet model with an additional pseudoscalar mediator. In addition, limits are provided for spin-dependent and spin-independent scattering cross sections and are compared to those from direct-detection experiments. The results are also interpreted in the context of models of invisible Higgs boson decays, unparticles, and large extra dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The $$\pi f_0(500)$$ decay of the $$a_1(1260)$$

Abstract We evaluate the $$a_1(1260) \rightarrow \pi \sigma (f_0(500))$$ a 1 ( 1260 ) → π σ ( f 0 ( 500 ) ) decay width from the perspective that the $$a_1(1260)$$ a 1 ( 1260 ) resonance is dynamically generated from the pseudoscalar–vector interaction and the $$\sigma $$ σ arises from the pseudoscalar–pseudoscalar interaction. A triangle mechanism with $$a_1(1260) \rightarrow \rho \pi $$ a 1 ( 1260 ) → ρ π followed by $$\rho \rightarrow \pi \pi $$ ρ → π π and a fusion of two pions within the loop to produce the $$\sigma $$ σ provides the mechanism for this decay under these assumptions for the nature of the two resonances. We obtain widths of the order of 13–22 MeV. Present experimental results differ substantially from each other, suggesting that extra efforts should be devoted to the precise extraction of this important partial decay width, which should provide valuable information on the nature of the axial vector and scalar meson resonances and help clarify the role of the $$\pi \sigma $$ π σ channel in recent lattice QCD calculations of the $$a_1$$ a 1 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Constraining light thermal inelastic dark matter with NA64

A vector portal between the Standard Model and the dark sector is a predictive and compelling framework for thermal dark matter. Through co-annihilations, models of inelastic dark matter (iDM) and inelastic Dirac dark matter (i2DM) can reproduce the observed relic density in the MeV to GeV mass range without violating cosmological limits. In these scenarios, the vector mediator behaves like a semi-visible particle, evading traditional bounds on visible or invisible resonances, and uncovering new parameter space to explain the muon (g–2) anomaly. By means of a more inclusive signal definition at the NA64 experiment, we place new constraints on iDM and i2DM using a missing energy technique. With a recast-based analysis, we contextualize the NA64 exclusion limits in parameter space and estimate the reach of the newly collected and expected future NA64 data. Our results motivate the development of an optimized search program for semi-visible particles, in which fixed-target experiments like NA64 provide a powerful probe in the sub-GeV mass range.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurements of the Higgs boson production cross section and couplings in the W boson pair decay channel in proton-proton collisions at $\sqrt{s}=13\,\text {Te\hspace{-.08em}V} $

Production cross sections of the standard model Higgs boson decaying to a pair of W bosons are measured in proton-proton collisions at a center-of-mass energy of 13$\,\text {Te\hspace{-.08em}V}$. The analysis targets Higgs bosons produced via gluon fusion, vector boson fusion, and in association with a W or Z boson. Candidate events are required to have at least two charged leptons and moderate missing transverse momentum, targeting events with at least one leptonically decaying W boson originating from the Higgs boson. Results are presented in the form of inclusive and differential cross sections in the simplified template cross section framework, as well as couplings of the Higgs boson to vector bosons and fermions. The data set collected by the CMS detector during 2016–2018 is used, corresponding to an integrated luminosity of 138$\,\text {fb}^{-1}$. The signal strength modifier $\mu $, defined as the ratio of the observed production rate in a given decay channel to the standard model expectation, is measured to be $\mu = 0.95^{+0.10}_{-0.09}$. All results are found to be compatible with the standard model within the uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for pair production of third-generation leptoquarks decaying into a bottom quark and a $\tau $-lepton with the ATLAS detector

Abstract A search for pair-produced scalar or vector leptoquarks decaying into a b -quark and a $$\tau $$ τ -lepton is presented using the full LHC Run 2 (2015–2018) data sample of 139 fb $$^{-1}$$ - 1 collected with the ATLAS detector in proton–proton collisions at a centre-of-mass energy of $$\sqrt{s} =13$$ s = 13 TeV. Events in which at least one $$\tau $$ τ -lepton decays hadronically are considered, and multivariate discriminants are used to extract the signals. No significant deviations from the Standard Model expectation are observed and 95% confidence-level upper limits on the production cross-section are derived as a function of leptoquark mass and branching ratio $$\mathcal {B}$$ B into a $$\tau $$ τ -lepton and b -quark. For scalar leptoquarks, masses below 1460 GeV are excluded assuming $$\mathcal {B}=100$$ B = 100 %, while for vector leptoquarks the corresponding limit is 1650 GeV (1910 GeV) in the minimal-coupling (Yang–Mills) scenario.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Constraints on simplified dark matter models involving an s -channel mediator with the ATLAS detector in pp collisions at $\sqrt{s} = 13$ TeV

This paper reports a summary of searches for a fermionic dark matter candidate in the context of theoretical models characterised by a mediator particle exchange in the s-channel. The data sample considered consists of pp collisions delivered by the Large Hadron Collider during its Run 2 at a centre-of-mass energy of $\sqrt{s} = 13$ TeV and recorded by the ATLAS detector, corresponding to up to 140 fb -1 . The interpretations of the results are based on simplified models where the new mediator particles can be spin-0, with scalar or pseudo-scalar couplings to fermions, or spin-1, with vector or axial-vector couplings to fermions. Exclusion limits are obtained from various searches characterised by final states with resonant production of Standard Model particles, or production of Standard Model particles in association with large missing transverse momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Search for Beyond the Standard Model physics with anomaly detection in multilepton final states in pp collisions at s=13TeV with the ATLAS detector

A model-agnostic search for Beyond the Standard Model physics is presented, targeting final states with at least four light leptons (electrons or muons). The search regions are separated by event topology and unsupervised machine learning is used to identify anomalous events in the full 140 fb-1$$^{-1}$$ of proton–proton collision data collected with the ATLAS detector during Run 2. No significant excess above the Standard Model background expectation is observed. Model-agnostic limits are presented in each topology, along with limits on several benchmark models including vector-like leptons, wino-like charginos and neutralinos, or smuons. Limits are set on the flavourful vector-like lepton model for the first time.

Aad, G↗
DOE OSTI2021

Few-shot Learning for Post-disaster Structure Damage Assessment

Automating post-disaster damage assessment with remote sensing data is critical for faster surveys of structures impacted by natural disasters. One significant obstacle to training state-of-the-art deep neural networks to support this automation is that large quantities of labelled data are often required. However, obtaining those labels is particularly unrealistic to support post-disaster damage assessment in a timely manner. Few-shot learning methods could help to mitigate this by reducing the amount of labelled data required to successfully train a model while achieving satisfactory results. To this end, we explore a feature reweighting method to the YOLOv3 object detection architecture to achieve few-shot learning of damage assessment models on the xBD dataset. Our results show that the feature reweighting approach yield improved mAP over the baseline with significantly fewer labelled samples. In addition, we use t-SNE to analyze the class-specific reweighting vectors generated by the reweighting module in order to evaluate their inter-class and intra-class similarity. We find that the vectors form clusters based on class, and that these clusters overlap with visually similar classes. Those results show the potential to employ this few-shot learning strategy for rapid damage assessment with post-event remote sensing images.

Bowman, Jordan↗
DOE OSTI2025

Accelerating GNNs on GPU Sparse Tensor Cores through N:M Sparsity-Oriented Graph Reordering

Recent advancements in GPU hardware support have introduced the capability to leverage N:M sparse patterns for substantial performance gains. Graphs in Graph Neural Networks (GNNs) are typically sparse, but the sparsity is often irregular, not conforming to such sparse patterns. In this paper, we propose a novel graph reordering algorithm, the first of its kind, to reshape irregular graph data into the N:M structured sparse pattern at the tile level, allowing linear-algebra-based graph operations in GNNs to benefit from the N:M sparse hardware. The optimization is lossless, maintaining the accuracy of GNN. It can remove 98-100\% violations of the N:M sparse patterns at the vector level, and increase the proportion of conforming graphs in SuiteSparse collection from 5-9\% to 88.7-93.5\%. On A100 GPUs, the optimization accelerates Sparse Matrix Matrix (SpMM) by up to 43X (2.3X -- 7.5X on average) and speeds up the key graph operations in GNNs on real graphs by as much as 8.6X (3.5X on average).

artificial intelligence, graph neural networks↗
DOE OSTI2021

MACAW v1.0

The ability to embed molecules in a numeric space is essential in order to build mathematical and machine-learning models describing molecular properties or other processes affected by molecules. MACAW is a cheminformatic tool that allows embedding small molecules into a multidimensional numeric space. In the embedding, each molecule is assigned a numeric vector that captures information of the molecule in relation to other molecules, and that vector can be used as input to mathematical models. Molecules that are more similar to each other are embedded closer in this numeric space, whereas molecules that are more different are embedded further away. One advantage of the MACAW embedding technology compared to established alterantives is that it is fast and does not require extensive computational resources or expertise. In particular, MACAW embeddings can be used as input to mathematical models without the need for variable cleaning or feature selection, saving time and simplifying their use. On the other hand, MACAW also contains methods to generate new molecules and to recommend new molecules satisfying a desired molecular property. The generation of new molecules can be biased based on an input set of molecules, effectively generating molecular diversity around it. In its turn, MACAW's molecular recommendation tool is a novel method for evolving molecules in silico towards a desired molecular specification. In this method, the biased molecular generator tool is applied iteratively in combination with a molecular selection step. As a result, in each iteration the molecules selected by the software are increasingly closer to the desired specification. Both the molecular generation and the molecular recommendation tools are very fast, efficient, and intuitive to use.

Roger, VincentBlay↗
DOE OSTI2023

pnnl/PHANTOM

A topology-based anomaly detection tool for temporal varying data. The input is json or CSV formatted data with a timestamp field identified. The algorithm computes vectorizations (using a vectorization config file) of time windows of data and computes a topological measure of anomalousness. The output is a sequence of anomaly scores for each time window

Seppala, Garret↗
DOE OSTI2023

HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations

Publicly available collections of drug-like molecules have grown to comprise tens of billions of compounds due to advances in combinatorial chemistry. Traditional methods for identifying "hit" molecules from a large collection of potential drug-like candidates have relied on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug and its protein target. These approaches have the major drawback that they require exceptional computing capabilities for even relatively small collections of molecules. Hyperdimensional Computing (HDC) is a recently-proposed learning paradigm that represents data with high-dimension binary vectors; this allows the use of low-precision binary vector arithmetic to create models of the data that can be learned without the need for the gradient-based optimization required in many conventional machine learning and deep learning methods. This algorithmic simplicity allows for acceleration in hardware that has been previously demonstrated in a range of application areas. We consider existing HDC approaches for molecular property classification and introduce two novel encodings of a commonly-used molecular representation, the extended connectivity fingerprint (ECFP). We show that HDC-based inference methods are as much as 91 times more efficient than traditional machine learning methods, and achieve an acceleration of nearly nine orders of magnitude compared to molecular docking. Our results show that HDC accelerated methods retain competitive accuracy on a number of well-studied tasks such as molecular property predictions using the MoleculeNet dataset, and bind/no-bind activity classification using the DUD-E and LIT-PCBA datasets. Our work thus motivates further investigation into molecular representation learning to develop ultraefficient pre-screening tools.

Jones, William↗
DOE OSTI2025

Datum: A Scientific Metadata Catalog

The data catalog market is currently flooded with a myriad of different products, but none serve the scientific community well. There are cloud-native tools like Databricks, Snowflake,to on-premise solutions like Collibra and Datahub. The common failing of all these tools however, is their inability to serve the scientific data community directly. Most catalogs are targeted towards financial, health, or user data - not sensor or scientific domain data. They also prioritize integrations that often don’t exist or are just starting to be used in the scientific realm - all while ignoring common scientific tools and file types. Datum is a catalog which targets the scientific data directly, including the tools and networks in which those tools are used. We work with the producers and consumers of the data where they are, targeting cloud and on-premise with a focus on classified networks. Datum is an Erlang/Elixir application. Technical Features Note: The features listed below are still under development and may change, slightly, upon final delivery of the product. File Formats - Datum has the ability to read additional metadata and provides processing pipelines for the following file formats: Plain Text, PDF, LaTeX, HTML, Open Document Format (.odt), XML, CSV/TSV (and other standard delimiters), OpenDocument Database and Spreadsheets, Geo-Referenced TIFF, Common Data Format, HDF/HDF5, LabView TDMS, Excel, DeltaTables, Parquet, Apache Iceberg, Apache Hudi and many others. Metadata Collection - Scanners for the local and networked file systems and cloud storage providers. Network integration with common databases such as MSSQL and MySQL. User Plugin System - Users are able to provide either file processing, metadata extraction, or sampling plugins in the programming language of their choice. Authentication/Authorization -: OIDC integration, SCIM provisioning and EntraID integration out of the box. Full user and group management system with a “least privilege” operating mode. Governance - Customizable data governance platform; dictate and enforce required metadata, enforce data embargos, and enforce user agreements and NDAs before data access. Ability to create health checks on data, rejecting abandoned or poorly curated data and automatically removing it from the search index. Ability for users to submit corrections. Search - Semantic search is a first class citizen. No licenses to expensive, external software required. Integrated use of vectors and vector-based search allows for AI agent integration at all levels of operation. Metadata Model - Display and control data’s lineage and connections to other data and data directories. Data is modeled after a filesystem - an organization instantly recognizable and navigable by most any user. CLI and SDK - Ships with a Command Line Interface (CLI) tool and with a fully-featured Python SDK. This allows for rapid and programmatic use of Datum by every level of user. Minimal Infrastructure - Datum ships as a single executable file and can be run on any operating system and most CPU architectures. Datum has no reliance on external databases, search indexing tools, or other outside services - and it runs equally well on edge computing devices, cloud services, or in a clustered HPC environment.

darrington, john↗
DOE OSTI2025

Pxl

The code consists of several scripts. The image is fetched from a predefined URL, downloaded, and is displayed in the virtual environment at a predefined location. The image is also dynamically scaled to fit in the virtual environment depending on its size. The image is sent to have each pixel's value written to a CSV file. While the CSV is being written, a dictionary is populated with values that map each pixel to a temperature reading. The image's height, width, position and references to its corners are sent to make a button that is the same size as the image and placed right behind the image in the virtual scene. The button defines behavior that should be triggered when the user pushes the image. Unity provides visual cues that alert the user when they are about to touch something in the virtual environment. The code holds references to the cues for the left and right hands. The button queries the cue tracker and receives the position of the active cue in the form of a 3D vector. The 3D vector is compared to the bottom left corner of the image to transform the world space coordinates of the cue to the pixel space of the image. The specific pixel is approximated relative to how far left and up the user touched from the bottom left corner of the image. The approximated pixel value, which is represented as a coordinate in 2D space, is used to retrieve the temperature value associated with the approximated pixel. A window of text is then updated to display the temperature reading.

. Otis, KrystianeS [Idaho National Laboratory (INL↗
DOE OSTI2020

Principal Component Analysis for Extremes and Application to U.S. Precipitation

Here, we propose a method for analyzing extremal behavior through the lens of a most efficient basis of vectors. The method is analogous to principal component analysis, but is based on methods from extreme value analysis. Specifically, rather than decomposing a covariance or correlation matrix, we obtain our basis vectors by performing an eigendecomposition of a matrix that describes pairwise extremal dependence. We apply the method to precipitation observations over the contiguous United States. We find that the time series of large coefficients associated with the leading eigenvector shows very strong evidence of a positive trend, and there is evidence that large coefficients of other eigenvectors have relationships with El Niño–Southern Oscillation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Satellite-Based Observations of Nonlinear Relationships between Vertical Wind Shear and Intensity Changes during the Life Cycle of Hurricane Joaquin (2015)

A CIMSS vertical wind shear (VWS-C) dataset based on reprocessed GOES-East atmospheric motion vectors (AMVs) at 15-min intervals has a −0.36 correlation with the CIMSS Satellite Consensus (SATCON) intensity changes at 30-min intervals over the life cycle of Hurricane Joaquin (2015). Correlations are then calculated for four intensity change events including two rapid intensifications (RIs) and two decays, and four intensity change segments immediately before or after these events. During the first RI, the peak intensity increase of 16 kt (6 h) −1 (1 kt ≈ 0.51 m s −1 ) follows a small VWS-C decrease to a moderate 8 m s −1 value (negative correlation). A 30-h period of continued RI following the first peak RI occurred under moderate magnitude VWS-C (negative correlation), but with a rotation of the VWS-C direction to become more aligned with the southwestward heading of Joaquin. During the second RI, the peak intensity increase of 15 kt (6 h) −1 leads the rapid VWS-C increase (positive correlation), which the horizontal plots of VWS-C vectors demonstrate is related to an upper-tropospheric cyclone to the northeast of Joaquin. A conceptual model of ocean cooling within the anticyclonic track loop is proposed to explain a counterintuitive decreasing intensity when the VWS-C was also decreasing (positive correlation) during the Joaquin track reversal. These alternating negative and positive correlations during the four events and four segments of intensity change demonstrate the nonlinear relationships between the VWS-C and intensity changes during the life cycle of Joaquin that must be understood, analyzed, and modeled to improve tropical cyclone intensity forecasts, and especially RI events.

Elsberry, Russell L.↗
DOE OSTI2023

Review of machine learning and deep learning models for toxicity prediction

The ever-increasing number of chemicals has raised public concerns due to their adverse effects on human health and the environment. To protect public health and the environment, it is critical to assess the toxicity of these chemicals. Traditional in vitro and in vivo toxicity assays are complicated, costly, and time-consuming and may face ethical issues. These constraints raise the need for alternative methods for assessing the toxicity of chemicals. Recently, due to the advancement of machine learning algorithms and the increase in computational power, many toxicity prediction models have been developed using various machine learning and deep learning algorithms such as support vector machine, random forest, k-nearest neighbors, ensemble learning, and deep neural network. This review summarizes the machine learning- and deep learning-based toxicity prediction models developed in recent years. Support vector machine and random forest are the most popular machine learning algorithms, and hepatotoxicity, cardiotoxicity, and carcinogenicity are the frequently modeled toxicity endpoints in predictive toxicology. It is known that datasets impact model performance. The quality of datasets used in the development of toxicity prediction models using machine learning and deep learning is vital to the performance of the developed models. The different toxicity assignments for the same chemicals among different datasets of the same type of toxicity have been observed, indicating benchmarking datasets is needed for developing reliable toxicity prediction models using machine learning and deep learning algorithms. This review provides insights into current machine learning models in predictive toxicology, which are expected to promote the development and application of toxicity prediction models in the future.

Research & Experimental Medicine↗