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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 19 records

Efficient Generalized Boundary Detection Using a Sliding Information Distance

In this work, we present a general machine learning algorithm for boundary detection within general signals based on an efficient, accurate, and robust approximation of the universal normalized information distance. Our approach uses an adaptive sliding information distance (SLID) combined with a wavelet-based approach for peak identification to locate the boundaries. Special emphasis is placed on developing an adaptive formulation of SLID to handle general signals with multiple unknown and/or drifting section lengths. Although specialized algorithms may outperform SLID when domain knowledge is available, these algorithms are limited to specific applications and do not generalize. SLID excels in these cases. We demonstrate the versatility and efficacy of SLID on a variety of signal types, including synthetically generated sequences of tokens, binary executables for reverse engineering applications, and time series of seismic events.

42 ENGINEERING↗

Applying Compression-Based Metrics to Seismic Data in Support of Global Nuclear Explosion Monitoring

The analysis of seismic data for evidence of possible nuclear explosion testing is a critical global security mission that relies heavily on human expertise to identify and mark seismic signals embedded in background noise. To assist analysts in making these determinations, we adapted two compression distance metrics for use with seismic data. First, we demonstrated that the Normalized Compression Distance (NCD) metric can be adapted for use with waveform data and can identify the arrival times of seismic signals. Then we tested an approximation for the NCD called Sliding Information Distance (SLID), which can be computed much faster than NCD. We assessed the accuracy of the SLID output by comparing it to both the Akaike Information Criterion (AIC) and the judgments of expert seismic analysts. Our results indicate that SLID effectively identifies arrival times and provides analysts with useful information that can aid their analysis process.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks

Residue-residue distance information is useful for predicting tertiary structures of protein monomers or quaternary structures of protein complexes. Many deep learning methods have been developed to predict intra-chain residue-residue distances of monomers accurately, but few methods can accurately predict inter-chain residue-residue distances of complexes. We develop a deep learning method CDPred (i.e., Complex Distance Prediction) based on the 2D attention-powered residual network to address the gap. Tested on two homodimer datasets, CDPred achieves the precision of 60.94% and 42.93% for top L/5 inter-chain contact predictions (L: length of the monomer in homodimer), respectively, substantially higher than DeepHomo’s 37.40% and 23.08% and GLINTER’s 48.09% and 36.74%. Tested on the two heterodimer datasets, the top Ls/5 inter-chain contact prediction precision (Ls: length of the shorter monomer in heterodimer) of CDPred is 47.59% and 22.87% respectively, surpassing GLINTER’s 23.24% and 13.49%. Moreover, the prediction of CDPred is complementary with that of AlphaFold2-multimer.

59 BASIC BIOLOGICAL SCIENCES↗

Distance preserving machine learning for uncertainty aware accelerator capacitance predictions

Abstract Accurate uncertainty estimations are essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard for this task; however, they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques has shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

43 PARTICLE ACCELERATORS↗

Protein model accuracy estimation empowered by deep learning and inter-residue distance prediction in CASP14

Abstract The inter-residue contact prediction and deep learning showed the promise to improve the estimation of protein model accuracy (EMA) in the 13th Critical Assessment of Protein Structure Prediction (CASP13). To further leverage the improved inter-residue distance predictions to enhance EMA, during the 2020 CASP14 experiment, we integrated several new inter-residue distance features with the existing model quality assessment features in several deep learning methods to predict the quality of protein structural models. According to the evaluation of performance in selecting the best model from the models of CASP14 targets, our three multi-model predictors of estimating model accuracy (MULTICOM-CONSTRUCT, MULTICOM-AI, and MULTICOM-CLUSTER) achieve the averaged loss of 0.073, 0.079, and 0.081, respectively, in terms of the global distance test score (GDT-TS). The three methods are ranked first, second, and third out of all 68 CASP14 predictors. MULTICOM-DEEP, the single-model predictor of estimating model accuracy (EMA), is ranked within top 10 among all the single-model EMA methods according to GDT-TS score loss. The results demonstrate that inter-residue distance features are valuable inputs for deep learning to predict the quality of protein structural models. However, larger training datasets and better ways of leveraging inter-residue distance information are needed to fully explore its potentials.

59 BASIC BIOLOGICAL SCIENCES↗

EQ-SANS Detector Distance Check with Laser Alignment Method

In Small-Angle Scattering experiments, accurate distance information between sample and the detector is important. During the winter outage, January 2021, positions of detector, especially along the beam direction, were measured with the laser alignment tool to confirm values regularly deduced from silver behenate measurements. The results show that the current detector-z position of the EQ-SANS is accurate at all typically used detector positions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗

Efficient generalized boundary detection

Fast, efficient, and robust compression-based methods for detecting boundaries in arbitrary datasets, including sequences (1D datasets), are desired. The methods, each employing three simple algorithms, approximate the information distance between two adjacent sliding windows within a dataset. One of the algorithms calculates an initial ordered list of subsequences; while a second algorithm updates the ordered list of subsequences by dropping a first entry and appending a last entry rather than calculating completely new ordered lists with each iteration. Large values in the distance metric are indicative of boundary locations. A smoothed z-score or a wavelet-based algorithm may then be used to locate peaks in the distance metric, thereby identifying boundary locations. An adaptive version of the method employs a collection of window sizes and corresponding weighting functions, making it more amenable to real datasets with unknown, complex, and changing structures.

Ting, Christina↗

DISTEMA: distance map-based estimation of single protein model accuracy with attentive 2D convolutional neural network

Abstract Background Estimation of the accuracy (quality) of protein structural models is important for both prediction and use of protein structural models. Deep learning methods have been used to integrate protein structure features to predict the quality of protein models. Inter-residue distances are key information for predicting protein’s tertiary structures and therefore have good potentials to predict the quality of protein structural models. However, few methods have been developed to fully take advantage of predicted inter-residue distance maps to estimate the accuracy of a single protein structural model. Result We developed an attentive 2D convolutional neural network (CNN) with channel-wise attention to take only a raw difference map between the inter-residue distance map calculated from a single protein model and the distance map predicted from the protein sequence as input to predict the quality of the model. The network comprises multiple convolutional layers, batch normalization layers, dense layers, and Squeeze-and-Excitation blocks with attention to automatically extract features relevant to protein model quality from the raw input without using any expert-curated features. We evaluated DISTEMA’s capability of selecting the best models for CASP13 targets in terms of ranking loss of GDT-TS score. The ranking loss of DISTEMA is 0.079, lower than several state-of-the-art single-model quality assessment methods. Conclusion This work demonstrates that using raw inter-residue distance information with deep learning can predict the quality of protein structural models reasonably well. DISTEMA is freely at https://github.com/jianlin-cheng/DISTEMA

59 BASIC BIOLOGICAL SCIENCES↗

The Chicago Carnegie Hubble Program: Improving the Calibration of Type Ia Supernovae with JWST Measurements of the Tip of the Red Giant Branch

We present distances to 10 supernova (SN) host galaxies determined via the tip of the red giant branch using JWST/NIRCam and the F115W, F356W, and F444W bandpasses. The majority of the analysis was conducted on photometric catalogs that had their absolute zero-points randomized to mask information on distance. The new F115W TRGB distances, anchored by the geometric maser distance to NGC 4258, agree well with our previously derived Hubble Space Telescope (HST) TRGB distances, differing by only 1% on average and 4% on a per-galaxy basis. The color-corrected F115W TRGB is therefore equally precise a method of distance measurement as, and offers unique advantages over, its color-insensitive, I-band counterpart. We use these distances to update four published H 0 calibrations and evaluate how different SN analyses, both within and across independent groups, yield different H 0 values. For our JWST sample of 11 SNe, we find consistent values of H 0 ≃ 69 km s −1 Mpc −1 , with a dispersion of just 0.6 km s −1 Mpc −1 across the updated calibrations. When we expand the sample to 24 by combining with HST TRGB measurements, the results from different SN analyses begin to diverge, with the H 0 based on Pantheon+ and the Carnegie Supernova Project II (CSP-II), respectively, increasing by +2.0 km s −1 Mpc −1 (3.1σ significance) and +0.8 km s −1 Mpc −1 (1.4σ significance). More independent analyses of low-redshift SNe and JWST observations of the TRGB are needed to improve our understanding of systematics in distance ladder determinations of H 0 .

Hoyt, Taylor J. [Lawrence Berkeley National Labora↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2022 Next-Generation National Household Travel Survey - Origin-Destination Data Addendum for the Oahu Region

# 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region The 2022 Next-Generation National Household Travel Survey – Origin-Destination Data Addendum for the Oahu Region covers the Hawaiian island of Oahu and five counties in surrounding islands. An addendum to the nationwide version of the study conducted in 2019, this regional survey provided additional information and spatial granularity about people’s movements to, from, and within the areas under study. ## Data Collection Agency The survey was conducted for the Oahu Metropolitan Planning Organization. ## Survey Methodology Data were collected in two zones: the core area (census blocks in the island of Oahu) and the halo area (five counties in adjacent Hawaiian islands). All trips were assigned an origin zone and a destination zone, as well as a travel mode, purpose, and distance. Sociodemographic information related to age, income, and gender was also collected. ## Survey Records, Data, and Documentation Survey records include 1,154,167,619 trips.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗