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At least 109 records · Page 6

Validation of LOCA2 and STAR-ESDM Statistically Downscaled Products

The National Climate Assessment (NCA) is the preeminent national report examining current and future risks posed by climate change. Countless agencies, policymakers, stakeholders and other end-users rely upon guidance from the NCA to plan for an uncertain future. These groups all depend on modern curated data, provided alongside the NCA, to quantify the impact of climate change on metrics of relevance for their decision processes. In its fifth iteration (NCA5), two statistically downscaled ensemble products, each providing data at grid spacing of approximately 5km over the contiguous United States, were selected to accompany the report. These include LOCalized Analogs version 2 (LOCA2) and Seasonal Trends and Analysis of Residuals Empirical-Statistical Downscaling Model (STAR-ESDM). Both data products are produced through a process known as statistical downscaling, where relatively coarse Global Climate Model (GCM) data is refined to locally relevant scales through the application of scientifically-supported empirical and algorithmic relationships. In support of the NCA effort, this report provides an independent validation of these two products against historical observations, with a focus on precipitation and near-surface temperature variables. Based on the results of this validation, several recommendations are provided related to the use of these data products. The structure of this report is as follows: In section 2, we review three gridded observational products that are used as part of our intercomparison. In section 3, we describe the two statistical downscaling techniques and their corresponding datasets that are the focus of this study. In section 4, the methodology we employ for validation is described. Section 5 provides results of the validation, which in turn motivate our recommendations on the use of these data products. A brief summary is provided in section 6.

54 ENVIRONMENTAL SCIENCES↗

Transient Unfolding and Long-Range Interactions in Viral BCL2 M11 Enable Binding to the BECN1 BH3 Domain

Viral BCL2 proteins (vBCL2s) help to sustain chronic infection of host proteins to inhibit apoptosis and autophagy. However, details of conformational changes in vBCL2s that enable binding to BH3Ds remain unknown. Using all-atom, multiple microsecond-long molecular dynamic simulations (totaling 17 μs) of the murine γ-herpesvirus 68 vBCL2 (M11), and statistical inference techniques, we show that regions of M11 transiently unfold and refold upon binding of the BH3D. Further, we show that this partial unfolding/refolding within M11 is mediated by a network of hydrophobic interactions, which includes residues that are 10 Å away from the BH3D binding cleft. We experimentally validate the role of these hydrophobic interactions by quantifying the impact of mutating these residues on binding to the Beclin1/BECN1 BH3D, demonstrating that these mutations adversely affect both protein stability and binding. To our knowledge, this is the first study detailing the binding-associated conformational changes and presence of long-range interactions within vBCL2s.

59 BASIC BIOLOGICAL SCIENCES↗

A Data-scientific Noise-removal Method for Efficient Submillimeter Spectroscopy With Single-dish Telescopes

For submillimeter spectroscopy with ground-based single-dish telescopes, removing the noise contribution from the Earth’s atmosphere and the instrument is essential. For this purpose, here we propose a new method based on a data-scientific approach. The key technique is statistical matrix decomposition that automatically separates the signals of astronomical emission lines from the drift noise components in the fast-sampled (1–10 Hz) time-series spectra obtained by a position-switching (PSW) observation. Because the proposed method does not apply subtraction between two sets of noisy data (i.e., on-source and off-source spectra), it improves the observation sensitivity by a factor of √2. It also reduces artificial signals such as baseline ripples on a spectrum, which may also help to improve the effective sensitivity. We demonstrate this improvement by using the spectroscopic data of emission lines toward a high-redshift galaxy observed with a 2 mm receiver on the 50 m Large Millimeter Telescope. Since the proposed method is carried out offline and no additional measurements are required, it offers an instant improvement on the spectra reduced so far with the conventional method. It also enables efficient deep spectroscopy driven by the future 50 m class large submillimeter single-dish telescopes, where fast PSW observations by mechanical antenna or mirror drive are difficult to achieve.

47 OTHER INSTRUMENTATION↗

Simple Building Calculator

Whole building energy modeling is a powerful tool for analyzing energy use in buildings. For large buildings benefits of modeling services can easily be quantified due to the short payback period of the implemented measures. For small buildings, the upfront costs of developing robust energy models often deter building owners from investing in energy modeling services. To address this shortcoming, a ”Simple Building Calculator” (SBC) was developed. SBC uses pre-simulated results of a range of common measures over a wide range of efficiency inputs. It combines whole building simulation results with statistical modeling techniques to predict energy impact of measures very quickly. In this paper we present the modeling methodology used to develop the data supporting SBC.

Building Energy Simulation, commercial building, E↗

An Energy Calculator for Simple Commercial Buildings

According to the EIA, simple commercial buildings account for 97% of total commercial building stock. However, most simple commercial buildings for example small- to mid-sized offices, retail, schools and warehouses do not benefit from the data-driven decision-making capabilities of whole-building energy modeling. The high cost of custom modeling limits the use of energy modeling of simple buildings for new construction or retrofit measures. Lack of tools providing helpful information on interactive savings estimates creates difficulties in meeting aggressive decarbonization and energy efficiency goals for simple building designers and utility program managers. This paper reviews a beta phase Simple Building Calculator with the ability to generate relatively accurate and interactive modeling results based on a limited but robust set of inputs. It can evaluate whole-building or single measure savings in new or existing buildings, compare measure package choices, or provide simplified performance modeling for energy codes and utility incentives. The tool combines physical (annual whole building prototype simulation) and statistical modeling techniques to predict annual energy performance. It supports a variety of building characteristics for envelope, HVAC, and lighting with parameters ranging from vintage to max tech configurations, as well as support for single-zone and simple multi-zone HVAC systems. The Simple Building Calculator was designed to provide immediate feedback for otherwise computationally intensive tasks like measure comparison, development of multiple measure package combinations, or verification that measures meet efficiency targets—all with the goal of providing a tool for quick annual energy simulation of simple commercial buildings.

Hart, Reid↗

Hierarchical Bayesian Inverse Problems: A High-Dimensional Statistics Viewpoint

This paper analyzes hierarchical Bayesian inverse problems using techniques from highdimensional statistics. Furthermore, our analysis leverages a property of hierarchical Bayesian regularizers that we call approximate decomposability to obtain non-asymptotic bounds on the reconstruction error attained by maximum a posteriori estimators. The new theory explains how hierarchical Bayesian models that exploit sparsity, group sparsity, and sparse representations of the unknown parameter can achieve accurate reconstructions in high-dimensional settings.

MAP estimation↗

Big Data Analytics for Long-Term Meteorological Observations at Hanford Site

A growing number of physical objects with embedded sensors with typically high volume and frequently updated data sets has accentuated the need to develop methodologies to extract useful information from big data for supporting decision making. This study applies a suite of data analytics and core principles of data science to characterize near real-time meteorological data with a focus on extreme weather events. To highlight the applicability of this work and make it more accessible from a risk management perspective, a foundation for a software platform with an intuitive Graphical User Interface (GUI) was developed to access and analyze data from a decommissioned nuclear production complex operated by the U.S. Department of Energy (DOE, Richland, USA). Exploratory data analysis (EDA), involving classical non-parametric statistics, and machine learning (ML) techniques, were used to develop statistical summaries and learn characteristic features of key weather patterns and signatures. The new approach and GUI provide key insights into using big data and ML to assist site operation related to safety management strategies for extreme weather events. Specifically, this work offers a practical guide to analyzing long-term meteorological data and highlights the integration of ML and classical statistics to applied risk and decision science.

54 ENVIRONMENTAL SCIENCES↗

Forward modeling fluctuations in the DESI LRGs target sample using image simulations

We use the forward modeling pipeline, Obiwan, to study the imaging systematics of the Luminous Red Galaxies (LRGs) targeted by the Dark Energy Spectroscopic Instrument (DESI). Imaging systematics refers to the false fluctuation of galaxy densities due to varying observing conditions and astrophysical foregrounds corresponding to the imaging surveys from which DESI LRG target galaxies are selected. We update the Obiwan pipeline, which we previously developed to simulate the optical images used to target DESI data, to further simulate WISE images in the infrared. This addition allows simulating the DESI LRGs sample, which utilizes WISE data in the target selection. Deep DESI imaging data combined with a method to account for biases in their shapes is used to define a truth sample of potential LRG targets. We inject these data evenly throughout the DESI Legacy Imaging Survey footprint at declinations between -30 and 32.375 degrees. We simulate a total of 15 million galaxies to obtain a simulated LRG sample (Obiwan LRGs) that predicts the variations in target density due to imaging properties. We find that the simulations predict the trends with depth observed in the data, including how they depend on the intrinsic brightness of the galaxies. We observe that faint LRGs are the main contributing source of the imaging systematics trend induced by depth. We also find significant trends in the data against Galactic extinction that are not predicted by Obiwan. These trends depend strongly on the particular map of Galactic extinction chosen to test against, implying systematic contamination in the Galactic extinction maps is a likely root cause (e.g., Cosmic-Infrared Background, dust temperature correction). We additionally observe a morphological change of the DESI LRGs population evidenced by a correlation between OII emission line average intensity and the size of the z-band PSF. This effect most likely results from uncertainties in background subtraction. The detailed findings we present should be used to guide any observational systematics mitigation treatment for the clustering of the DESI LRGs sample.

79 ASTRONOMY AND ASTROPHYSICS↗

Small-correlated-against-large estimator for the lensing of the cosmic microwave background

Weak gravitational lensing of the cosmic microwave background (CMB) carries imprints of the physics operating at redshifts much lower than that of recombination and serves as an important probe of cosmological structure formation, dark matter physics, and the mass of neutrinos. Reconstruction of the CMB lensing deflection field through use of quadratic estimators has proven successful with existing data but is known to be sub-optimal on small angular scales ($\ell > 3000$) for experiments with low noise levels. Future experiments will provide better observations in this regime, but these techniques will remain statistically limited by their approximations. We show that correlations between fluctuations of the large-scale temperature gradient power of the CMB sourced by $\ell < 2000$, and fluctuations of the local small-scale temperature power reveal a lensing signal which is prominent in even the real-space pixel statistics across a CMB temperature map. We present the development of the Small Correlated Against Large Estimator (SCALE), a novel estimator for the CMB lensing spectrum which offers promising complementary analysis alongside other reconstruction techniques in this regime. The SCALE method computes correlations between both the large/small-scale temperature gradient power in harmonic space, and it is able to quantitatively recover unbiased statistics of the CMB lensing field without the need for map-level reconstruction. SCALE can outperform quadratic estimator signal-to-noise by a factor of up to 1.5 in current and upcoming experiments for CMB lensing power spectra $C_{6000 < L < 8000}^{\phi\phi}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploring quantum statistics for massive Dirac and Majorana neutrinos using spinor-helicity techniques

Recently, there has been interest in the applicability of quantum statistics to distinguish Dirac from Majorana neutrinos in multineutrino final states. In particular, debate has arisen over the validity of the Dirac-Majorana confusion theorem in these processes, i.e., that any distinction between the Dirac and Majorana processes goes to zero as the neutrino mass goes to zero. Here we approach this problem equipped with spinor-helicity methods generalized for massive Dirac and Majorana fermions. We explicitly calculate all helicity amplitudes, and their squares, for the decay of a light scalar particle to two neutrinos and two oppositely charged leptons. This allows us to pinpoint the crucial steps which could lead to claims of a violation of the confusion theorem. We show that, if the correct antisymmetrization of Dirac to Majorana amplitudes is used, identification of which is clear in this framework, and all relevant contributions are appropriately summed, a scalar decay into two charged leptons and two neutrinos satisfies the Dirac-Majorana confusion theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An extended radar relative calibration adjustment (eRCA) technique for higher-frequency radars and range–height indicator (RHI) scans

Abstract. This study extends the relative calibration adjustment technique for calibration of weather radars to higher-frequency radars as well as range–height indicator (RHI) scans. The calibration of weather radars represents one of the most dominant sources of error for their use in a variety of fields including quantitative precipitation estimation and model comparisons. While most weather radars are routinely calibrated, the frequency of calibration is often less than required, resulting in miscalibrated time periods. While full absolute calibration techniques often require the radar to be taken offline for a period of time, there have been online calibration techniques discussed in the literature. The relative calibration adjustment (RCA) technique uses the statistics of the ground clutter surrounding the radar as a monitoring source for the stability of calibration but has only been demonstrated to work at S- and C-band for plan-position indicator (PPI) scans at a constant elevation. In this work the RCA technique is modified to work with higher-frequency radars, including Ka-band cloud radars. At higher frequencies the properties of clutter can be much more variable. This work introduces an extended clutter selection procedure that incorporates the temporal stability of clutter and helps to improve the operational stability of RCA for relatively higher-frequency radars. The technique is also extended to utilize range–height scans from radars where the elevation is varied rather than the azimuth. These types of scans are often utilized with research radars to examine the vertical structure of clouds. The newly extended technique (eRCA) is applied to four Department of Energy Atmospheric Radiation Measurement (DOE ARM) weather radars ranging in frequency from C- to Ka-band. Cross comparisons of three co-located radars with frequencies C, X, and Ka at the ARM Cloud, Aerosol, and Complex Terrain Interactions (CACTI) site show that the technique can determine changes in calibration. Using an X-band radar at the ARM Eastern North Atlantic (ENA) site, we show how the technique can be modified to be more resilient to clutter fields that show increased variability, in this case due to sea clutter. The results show that this technique is promising for a posteriori data calibration and monitoring.

47 OTHER INSTRUMENTATION↗

Mass Detection for Heavy-Duty Vehicles using Gaussian Belief Propagation

Predicting vehicle mass is critical to accurately estimate energy use and emissions of commercial trucks. However, data from vehicle telematics is often not at sufficient temporal resolution or accuracy for use in model-based detection methods. In this work, a new statistical mass prediction technique is described for heavy-duty vehicles that incorporates the use Gaussian Belief Propagation (GBP) for probabilistic inference. Similar to Bayesian inference models, the GBP model typically requires less labeled training data than other contemporary machine learning techniques. First, a factor graph is constructed, and a set of Gaussian belief nodes with associated means and variances are fitted to the training data. To better handle noisy input data, the GBP mass prediction model utilizes a k-nearest factors (kNF) algorithm for probabilistic inference on unseen testing data. The proposed method is compared with a classical weighted k-nearest neighbors (kNN) regressor. This statistical kNF-GBP model works even with low-quantity, low-quality initial training data, while being capable of realtime mass estimation. Unlike the kNN regressor, the GBP model produces a measure of uncertainty with its predictions. The proposed method is validated using curve-sampled driving data collected from multiple cloud-connected Class 8 regional haul diesel trucks. Both the kNN regressor and the kNF-GBP mass prediction model were able to predict payload mass with coefficients of determination above 0.97 with minimal data preprocessing.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Spatially-resolved soot evolution and statistics in high-pressure diesel spray flames using two-color pyrometry

Previous studies of diesel spray flames have focused on details of the sooting behavior mainly during the quasi-steady period, but few have considered the spatially-resolved transient evolution in combination with injection-to-injection variations. In this study, a 500-injection data set is utilized to investigate the temporal evolution of a spray flame during auto-ignition, the premixed burn phase, and the quasi-steady period. Spatially-resolved OH* chemiluminescence data provide ignition delay times and reaction zone locations. Two-color pyrom-etry with a vastly improved optical system is used to quantify spatially-resolved soot evolution and its statistical variations. The ambient thermodynamic con-ditions are slightly below those in modern diesel engines, resulting in longer lift-off lengths and lower overall soot production. Spatially, soot formation in the lift-off region is small, but appreciable soot forms in the jet core and jet head regions, while it oxidizes gradually on the jet periphery. Total soot mass profiles indicate that regions with larger local soot mass take longer to form, but are the first to oxidize. Probability distributions of soot mass in localized regions indicate that a few injections with high soot mass bias the average soot mass data towards higher values. Altogether, results show good agreement with previous studies employing different diagnostic techniques while providing statistical details of transient and localized soot behavior in high pressure diesel spray flames in support of the related modeling efforts.

09 BIOMASS FUELS↗

Quantitative measurements of dislocations in metals for advancing predictive simulations

LLNL applications require scientists to predict how materials evolve under various thermomechanical conditions. While this is achieved through physics-based simulations, uncertainty in the predictions of mechanical properties remains a serious challenge that limits the predictive capabilities of models because we lack methods to compare predictions of atomic-scale defects (dislocations) with experimental measurements. High energy X-ray diffraction (HEXRD) is the most relevant technique that can provide the necessary statistical information on dislocations. However, this technique is not yet quantitative because we lack a precise understanding of the relationship between X-ray diffraction patterns and the underlying material dislocation content and arrangements. To address this need, we used our novel computational X-ray diffraction method to simulate the effect of dislocations on the diffraction patterns. We compared virtual and experimental diffraction patterns. Results allowed us to clearly establish the relationship between X-ray diffraction patterns and the underlying dislocation structures, proving that it is feasible to quantitatively measure dislocation statistics with HEXRD. This project delivered a method that can provide the missing piece to LLNL’s mechanical property simulations in advanced metals by obtaining experimentally long-needed quantitative dislocation data, which could fully enable predictive capabilities.

36 MATERIALS SCIENCE↗

A practical guide to characterizing irradiated nuclear fuels using FIB tomography

We report focused ion beam (FIB) tomography with combined electron backscatter diffraction (EBSD) and energy dispersive x-ray spectroscopy (EDS) is a technique capable of statistically characterizing the microstructure and spatial compositional variation of nuclear fuel in three-dimensions (3D). The 3D visualization from FIB tomography provides a comprehensive picture of the interconnected microstructural and compositional features that can impact fuel performance. While these features are often characterized with surface examination, the complexity and relationship of fission products and grain boundary networks may not fully be captured by these 2D methods. This work presents a practical guide to FIB tomography that is tailored to nuclear fuel characterization. The steps used to collect and process the data are provided along with the scripts used to process the data. Additionally, suggestions for future characterization efforts utilizing this approach are given.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Deep neural network improves the estimation of polygenic risk scores for breast cancer

Polygenic risk scores (PRS) estimate the genetic risk of an individual for a complex disease based on many genetic variants across the whole genome. Here, we compared a series of computational models for estimation of breast cancer PRS. A deep neural network (DNN) was found to outperform alternative machine learning techniques and established statistical algorithms, including BLUP, BayesA, and LDpred. In the test cohort with 50% prevalence, the Area Under the receiver operating characteristic Curve (AUC) were 67.4% for DNN, 64.2% for BLUP, 64.5% for BayesA, and 62.4% for LDpred. BLUP, BayesA, and LPpred all generated PRS that followed a normal distribution in the case population. However, the PRS generated by DNN in the case population followed a bimodal distribution composed of two normal distributions with distinctly different means. This suggests that DNN was able to separate the case population into a high-genetic-risk case subpopulation with an average PRS significantly higher than the control population and a normal-genetic-risk case subpopulation with an average PRS similar to the control population. This allowed DNN to achieve 18.8% recall at 90% precision in the test cohort with 50% prevalence, which can be extrapolated to 65.4% recall at 20% precision in a general population with 12% prevalence. Interpretation of the DNN model identified salient variants that were assigned insignificant p values by association studies, but were important for DNN prediction. These variants may be associated with the phenotype through nonlinear relationships.

59 BASIC BIOLOGICAL SCIENCES↗

Transport coefficients of warm dense matter from Kohn-Sham density functional theory

We present a comprehensive study of transport coefficients including DC electrical conductivity and related optical properties, electrical contribution to the thermal conductivity, and the shear viscosity via ab initio molecular dynamics and density functional theory calculations on the “priority 1” cases from the “Second Charged-Particle Transport Coefficient Workshop” [Stanek et al., Phys. Plasmas (to be published 2024)]. The purpose of this work is to carefully document the entire workflow used to generate our reported transport coefficients, up to and including our definitions of finite size and statistical convergence, extrapolation techniques, and choice of thermodynamic ensembles. In pursuit of accurate optical properties, we also present a novel, simple, and highly accurate algorithm for evaluating the Kramers–Kronig relations. These heuristics are often not discussed in the literature, and it is hoped that this work will facilitate the reproducibility of our data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Generating synthetic cosmological data with GalSampler

As part of the effort to meet the needs of the Large Synoptic Survey Telescope Dark Energy Science Collaboration (LSST DESC) for accurate, realistically complex mock galaxy catalogues, in this work we have developed galsampler, an open-source python package that assists in generating large volumes of synthetic cosmological data. The key idea behind galsampler is to recast hydrodynamical simulations and semi-analytic models as physically motivated galaxy libraries. galsampler populates a new, larger volume halo catalogue with galaxies drawn from the baseline library; by using weighted sampling guided by empirical modelling techniques, galsampler inherits statistical accuracy from the empirical model and physically motivated complexity from the baseline library. We have recently used galsampler to produce the cosmoDC 2 extragalactic catalogue made for the LSST DESC Data Challenge 2 . Using cosmoDC 2 as a guiding example, we outline how galsampler can continue to support ongoing and near-future galaxy surveys such as the Dark Energy Survey, the Dark Energy Spectroscopic Instrument, WFIRST, and Euclid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗