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At least 541 records · Page 30

Conformal Hierarchical Simulation-Based Inference with Local Validity

Trustworthy and interpretable uncertainty quantification is a long-standing challenge in artificial intelligence. Simulation-based inference (SBI) comprises a broad swath of approaches for estimating latent parameters with uncertainties. Although flexible neural density estimators in SBI can be remark- ably expressive capturing highly structured, high-dimensional posteriors their credible regions can be badly mis-calibrated and are often only accompanied by heuristic coverage checks. We present the first SBI framework that delivers finite-sample local valid coverage guarantees that hold in the neighborhood of each observation. Our framework can couple any off-the-shelf hierarchical SBI engine with a confor- mal Bayesian post-processing step that operates on the posterior predictive density. A kernel-weighted conformity score adapts the conformal quantile to the local geometry of the data, yielding prediction sets that are simultaneously (i) marginally calibrated, (ii) locally valid, and (iii) hierarchical, handling global and observation-specific parameters in a single pass. Through experiments on synthetic data and benchmarks from neuroscience and physics, we show that our approach attains 1 − α coverage, where prior SBI methods under- or over-cover. Our approach also maintains a competitive, credible set size with minimal computational overhead. Finally, our approach can be used to make predictions on real data and give valid credible regions modulo weight-initialization-based model mis-specification.

Trivedi, Shubhendu [Fermilab]↗

An Earth radiation budget climate model

A 2-D Earth Radiation Budget Climate Model has been constructed from an OLWR (Outgoing Longwave Radiation) model and an Earth albedo model. Each of these models uses the same cloud cover climatology modified by a factor GLCLC which adjusts the global annual average cloud cover. The two models are linked by a set of equations which relate the cloud albedos to the cloud top temperatures of the OLWR model. These equations are derived from simultaneous narrow band satellite measurements of cloud top temperature and albedo. Initial results include global annual average values of albedo and latitude/longitude radiation for 45 percent and 57 percent global annual average cloud cover and two different forms of the cloud albedo-cloud top temperature equations.

Bartman, Fred L.↗

Satellite estimates of precipitation susceptibility in low-level marine stratiform clouds

Quantifying the sensitivity of warm rain to aerosols is important for constraining climate model estimates of aerosol indirect effects. In this study, the precipitation sensitivity to cloud droplet number concentration (N d ) in satellite retrievals is quantified by applying the precipitation susceptibility metric to a combined CloudSat/Moderate Resolution Imaging Spectroradiometer data set of stratus and stratocumulus clouds that cover the tropical and subtropical Pacific Ocean and Gulf of Mexico. We note that consistent with previous observational studies of marine stratocumulus, precipitation susceptibility decreases with increasing liquid water path (LWP), and the susceptibility of the mean precipitation rate R is nearly equal to the sum of the susceptibilities of precipitation intensity and of probability of precipitation. Consistent with previous modeling studies, the satellite retrievals reveal that precipitation susceptibility varies not only with LWP but also with N d . Puzzlingly, negative values of precipitation susceptibility are found at low LWP and high N d . There is marked regional variation in precipitation susceptibility values that cannot simply be explained by regional variations in LWP and N d . This suggests other controls on precipitation apart from LWP and N d and that precipitation susceptibility will need to be quantified and understood at the regional scale when relating to its role in controlling possible aerosol-induced cloud lifetime effects.

54 ENVIRONMENTAL SCIENCES↗

The CMS Statistical Analysis and Combination Tool: Combine

This paper describes the Combine software package used for statistical analyses by the CMS Collaboration. The package, originally designed to perform searches for a Higgs boson and the combined analysis of those searches, has evolved to become the statistical analysis tool presently used in the majority of measurements and searches performed by the CMS Collaboration. It is not specific to the CMS experiment, and this paper is intended to serve as a reference for users outside of the CMS Collaboration, providing an outline of the most salient features and capabilities. Readers are provided with the possibility to run Combine and reproduce examples provided in this paper using a publicly available container image. Since the package is constantly evolving to meet the demands of ever-increasing data sets and analysis sophistication, this paper cannot cover all details of Combine. However, the online documentation referenced within this paper provides an up-to-date and complete user guide.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

We calculated relativistic distorted-wave collision strength for all possible Δn=0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤92. This choice produces 3 transitions with n=2 in the Li-like and F-like ions, and 10 transitions with n=3 in the Na-like ions. Moreover, for the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E'=0.008,0.04,0.10,0.21,0.41, and 0.75, where E' is in units of Z$2\atop{eff}$ Ry with Z eff = Z- 1.66 for Li-like ions and Z eff = Z- 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E'=0.0025,0.015,0.04,0.10,0.21, and 0.40, with Z eff = Z- 8.34. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. Finally, the collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.

74 ATOMIC AND MOLECULAR PHYSICS↗

Viral phylogenomics using an alignment-free method: A three-step approach to determine optimal length of k-mer

The development of rapid, economical genome sequencing has shed new light on the classification of viruses. As of October 2016, the National Center for Biotechnology Information (NCBI) database contained >2 million viral genome sequences and a reference set of ~4000 viral genome sequences that cover a wide range of known viral families. Whole-genome sequences can be used to improve viral classification and provide insight into the viral tree of life . However, due to the lack of evolutionary conservation amongst diverse viruses, it is not feasible to build a viral tree of life using traditional phylogenetic methods based on conserved proteins. In this study, we used an alignment-free method that uses k-mers as genomic features for a large-scale comparison of complete viral genomes available in RefSeq. To determine the optimal feature length, k (an essential step in constructing a meaningful dendrogram), we designed a comprehensive strategy that combines three approaches: (1) cumulative relative entropy, (2) average number of common features among genomes, and (3) the Shannon diversity index. This strategy was used to determine k for all 3,905 complete viral genomes in RefSeq. Lastly, the resulting dendrogram shows consistency with the viral taxonomy of the ICTV and the Baltimore classification of viruses.

60 APPLIED LIFE SCIENCES↗

The recent development of an X-ray grating interferometer at Shanghai Synchrotron Radiation Facility

An X-ray grating interferometer has been installed at Shanghai Synchrotron Radiation Facility (SSRF). Three sets of phase gratings were designed to cover the wide X-ray energy range needed for biological and soft material imaging capabilities. The performance of the grating interferometer has been evaluated by a tomography study of a PMMA particle packing and a new born mouse chest. In the mouse chest study, the carotid artery and carotid vein inside the mouse can be identified in situ without contrast agents.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ORBITAL AND PHYSICAL PROPERTIES OF THE σ Ori Aa, Ab, B TRIPLE SYSTEM

We provide a complete characterization of the astrophysical properties of the σ Ori Aa, Ab, B hierarchical triple system and an improved set of orbital parameters for the highly eccentric σ Ori Aa, Ab spectroscopic binary. We compiled a spectroscopic data set comprising 90 high-resolution spectra covering a total time span of 1963 days. We applied the Lehman-Filhés method for a detailed orbital analysis of the radial velocity curves and performed a combined quantitative spectroscopic analysis of the σ Ori Aa, Ab, B system by means of the stellar atmosphere code FASTWIND. We used our own plus other available information on photometry and distance to the system for measuring the radii, luminosities, and spectroscopic masses of the three components. We also inferred evolutionary masses and stellar ages using the Bayesian code BONNSAI. The orbital analysis of the new radial velocity curves led to a very accurate orbital solution of the σ Ori Aa, Ab pair. We provided indirect arguments indicating that σ Ori B is a fast-rotating early B dwarf. The FASTWIND+BONNSAI analysis showed that the Aa, Ab pair contains the hottest and most massive components of the triple system while σ Ori B is a bit cooler and less massive. The derived stellar ages of the inner pair are intriguingly younger than the one widely accepted for the σ Orionis cluster, at 3 ± 1 Ma. The outcome of this study will be of key importance for a precise determination of the distance to the σ Orionis cluster, the interpretation of the strong X-ray emission detected for σ Ori Aa, Ab, B, and the investigation of the formation and evolution of multiple massive stellar systems and substellar objects.

79 ASTRONOMY AND ASTROPHYSICS↗

Radiation Safety of Sealed Radioactive Sources

Sealed radioactive sources are used in a wide variety of occupational settings and under differing regulatory/licensing structures. The definition of a sealed radioactive source varies between US regulatory authorities and standard-setting organizations. Potential problems with sealed sources cover a range of risks and impacts. The loss of control of high activity sealed sources can result in very high or even fatal doses to members of the public who come in contact with them. Sources that are not adequately sealed, and that fail, can cause spread of contamination and potential intake of radioactive material. There is also the possibility that sealed sources may be (or threatened to be) used for terrorist purposes and disruptive opportunities. Until fairly recently, generally-licensed sealed sources and devices received little, if any, regulatory oversight, and were often forgotten, lost or unaccounted for. Nonetheless, generally licensed devices can contain fairly significant quantities of radioactive material and there is some potential for exposure if a device is treated in a way that it was never designed. Industrial radiographers use and handle high activity and/or high-dose rate sealed sources in the field with a high degree of independence and minimal regulatory oversight. Failure to follow operational procedures and properly handle radiography sources can and has resulted in serious injuries and death. Industrial radiographers have experienced a disproportionately large fraction of incidents that result in unintended exposure to radiation. Sources do not have to contain significant quantities of radioactive material to cause problems in the event of their failure. A loss of integrity can cause the spread of contamination and potential exposure to workers and members of the public. The NCRP has previously provided recommendations on select aspects of sealed source programs. Future efforts to provide recommendations for sealed source programs are discussed.

radioactive material↗

Tropical forests and global change: biogeochemical responses and opportunities for cross-site comparisons, an organized INSPIRE session at the 108th Annual Meeting, Ecological Society of America, Portland, Oregon, USA, August 2023

In this study, tropical forests play a critical role in the global carbon (C) cycle. These ecosystems maintain the highest rates of net primary production (NPP) on Earth, contain c. 30% of terrestrial C stocks, and have some of the largest stores of fine-root biomass globally, as well as higher fine-root production and turnover rates compared with other biomes. Tropical forest responses to projected warming, altered rainfall regimes, and elevated CO 2 concentrations are likely to be different from other ecosystems because of their unique characteristics (Box 1), making targeted research and model development important for understanding tropical forest–climate feedbacks. There is now a critical mass of long-term global change field experiments and modeling efforts in tropical forests, yet thus far there has been little synthesis, cross-site comparison, or multi-site standardized experimentation among tropical forests to help us understand how these biomes are changing. An organized INSPIRE session at the 108th Annual Meeting of the Ecological Society of America set out to tackle just this. Speakers covered large-scale tropical forest field experiments and modeling efforts, with an emphasis on changes in ecosystem biogeochemistry under warming, drying, elevated atmospheric CO 2 , and changing nutrient status. In this Meeting report, we provide an overview of the large-scale global change experiments presented and highlight the main objectives and opportunities for tropical forest research that emerged, including cross-site comparisons and integration with ecosystem-scale models (Fig. 1).

54 ENVIRONMENTAL SCIENCES↗

WE-EF-207-02: The Rotate-Plus-Shift C-Arm Trajectory: Theory and First Clinical Results

Purpose: The proposed method enables the acquisition of a complete dataset for 3D reconstruction of C-Arm data using less than 180° rotation. Methods: Typically a C–arm cone–beam CT scan is performed using a circle–like trajectory around a region of interest. Therefore an angular range of at least 180° plus fan–angle must be covered to ensure a completely sampled data set. This fact defines some constraints on the geometry and technical specifications of a C–arm system, for example a larger C radius or a smaller C opening respectively. This is even more important for mobile C-arm devices which are typically used in surgical applications.To overcome these limitations we propose a new trajectory which requires only 180° minusfan–angle of rotation for a complete data set. The trajectory consists of three parts: A rotation of the C around a defined iso–center and two translational movements parallel to the detector plane at the begin and at the end of the rotation (rotate plus shift trajectory). This enables the acquisition of a completely sampled dataset using only 180° minus fan–angle of rotation. Results: For the evaluation of the method we show simulated and measured data. The results show, that the rotate plus shift scan yields equivalent image quality compared to the short scan which is assumed to be the gold standard for C-arm CT today. Compared to the pure rotational scan over only 165°, the rotate plus shift scan shows strong improvements in image quality. Conclusion: The proposed method makes 3D imaging using C–arms with less than 180° rotation range possible. This enables integrating full 3D functionality into a C- arm device without any loss of handling and usability for 2D imaging.

60 APPLIED LIFE SCIENCES↗

The rotate-plus-shift C-arm trajectory. Part I. Complete data with less than 180° rotation

Purpose: In the last decade, C-arm-based cone-beam CT became a widely used modality for intraoperative imaging. Typically a C-arm CT scan is performed using a circular or elliptical trajectory around a region of interest. Therefore, an angular range of at least 180° plus fan angle must be covered to ensure a completely sampled data set. However, mobile C-arms designed with a focus on classical 2D applications like fluoroscopy may be limited to a mechanical rotation range of less than 180° to improve handling and usability. The method proposed in this paper allows for the acquisition of a fully sampled data set with a system limited to a mechanical rotation range of at least 180° minus fan angle using a new trajectory design. This enables CT like 3D imaging with a wide range of C-arm devices which are mainly designed for 2D imaging. Methods: The proposed trajectory extends the mechanical rotation range of the C-arm system with two additional linear shifts. Due to the divergent character of the fan-beam geometry, these two shifts lead to an additional angular range of half of the fan angle. Combining one shift at the beginning of the scan followed by a rotation and a second shift, the resulting rotate-plus-shift trajectory enables the acquisition of a completely sampled data set using only 180° minus fan angle of rotation. The shifts can be performed using, e.g., the two orthogonal positioning axes of a fully motorized C-arm system. The trajectory was evaluated in phantom and cadaver examinations using two prototype C-arm systems. Results: The proposed trajectory leads to reconstructions without limited angle artifacts. Compared to the limited angle reconstructions of 180° minus fan angle, image quality increased dramatically. Details in the rotate-plus-shift reconstructions were clearly depicted, whereas they are dominated by artifacts in the limited angle scan. Conclusions: The method proposed here employs 3D imaging using C-arms with less than 180° rotation range adding full 3D functionality to a C-arm device retaining both handling comfort and the usability of 2D imaging. This method has a clear potential for clinical use especially to meet the increasing demand for an intraoperative 3D imaging.

60 APPLIED LIFE SCIENCES↗

Sn-enriched Ge/GeSn nanostructures grown by MBE on (001) GaAs and Si wafers

Elastically stressed metastable GeSn layers with a tin molar fraction as large as 0.185 are grown on (001) Si and GaAs wafers covered with a germanium buffer layer. A set of wafers with a deviation angle in the range 0°–10° is used. It is established that the GeSn crystal undergoes monoclinic deformation with the angle β to 88° in addition to tetragonal deformation. Misorientation of the wafers surface results in increasing efficiency of the incorporation of tin adatoms into the GeSn crystal lattice. Phase separation in the solid solution upon postgrowth annealing of the structures begins long before the termination of plastic relaxation of elastic heteroepitaxial stresses. Tin released as a result of GeSn decomposition predominantly tends to be found on the surface of the sample. Manifestations of the brittle–plastic mechanism of the relaxation of stresses resulting in the occurrence of microcracks in the subsurface region of the structures under investigation are found.

36 MATERIALS SCIENCE↗

TRIPOLI-4 neutronics calculations for IAEA-CRP benchmark of CEFR start-up tests using new libraries JEFF-3.3 and ENDF/B-VIII

Sodium-cooled Fast Reactors (SFR) are one of the promising Generation IV fast reactors. The China Experimental Fast Reactor (CEFR) is a 65 MWth pool-type SFR with a high neutron leakage core using high enriched uranium oxide fuel. The CEFR start-up tests in 2010 consist of series of neutronics experiments. Essential experimental data are available from the 2018 IAEA-CEFR-CRP benchmark document and useful for the validation of neutron transport codes and nuclear data libraries. The TRIPOLI-4 Monte Carlo transport code is a general-purpose neutronics code using continuous-energy nuclear data libraries. It has a rich validation database covering different computational and experimental benchmark data sets to assure the accuracy and credibility of numerical studies. Previous TRIPOLI-4 SFR core physics calculations used mainly MOX fuels. SFR control rod worth studies with TRIPOLI-4 were mainly on big-size cores. To test the modeling capability of TRIPOLI-4 on fuel loading patterns and on variable control rods positions for SFRs and to check recent nuclear data libraries, it is interesting to investigate the CEFR start-up tests in this work, including core states from subcritical to supercritical, control rods and rod group worth, point kinetics parameters, and radial foil activation measurements. TRIPOLI-4 calculation results using new data libraries JEFF-3.3, ENDF/B-VIII, and those of ENDF/B-VII.1 for different CEFR core states are reported here. By means of different options of TRIPOLI-4, control-rod SAs reactivity worth, point kinetics parameters, and radial {sup 237}Np(n,f) fission rate distribution were successfully evaluated. Both ENDF/B-VIII and JEFF-3.3 nuclear data libraries provided reliable results with a difference of 170 +/- 11 pcm in k{sub eff}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Measurements of the Double-Spin Asymmetry A 1 on Helium-3: Toward a Precise Measurement of the Neutron A 1

The spin structure of protons and neutrons has been an open question for nearly twenty-five years, after surprising experimental results disproved the simple model in which valence quarks were responsible for nearly 100% of the nucleon spin. Diverse theoretical approaches have been brought to bear on the problem, but a shortage of precise data - especially on neutron spin structure - has prevented a thorough understanding. Experiment E06-014, conducted in Hall A of Jefferson Laboratory in 2009, presented an opportunity to add to the world data set for the neutron in the poorly covered valence-quark region. Jefferson Laboratory's highly polarized electron beam, combined with Hall A's facilities for a high-density, highly polarized 3 He target, allowed a high-luminosity double-polarized experiment, while the large acceptance of the BigBite spectrometer gave coverage over a wide kinematic range: 0.15 < x < 0.95. In this work, we present the analysis of a portion of the E06-014 data, measured with an incident beam energy of 4.74 GeV and spanning 1.5 < Q 2 < 5.5 (GeV/c) 2 . From these data, we extract the longitudinal asymmetry in virtual photon-nucleon scattering, A 1 , on the 3 He nucleus. Combined with the remaining E06-014 data, this will form the basis of a measurement of the neutron asymmetry A η 1 that will extend the kinematic range of the data available to test models of spin-dependent parton distributions in the nucleon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ORNL NCSP Training and Education Support for FY2023 [Slides]

This presentation goes over the ORNL NCSP training and education support for Fiscal Year (FY) 2023. It includes a look at approved training and education tasks set up for FY2023. This lecture also covers revisions and updates to proposals and the LA-12808 LA-12808 Nuclear Criticality Safety Guide.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

3D Continuous Forcing Dataset from 3D Constrained Variational Analysis at SGP

The continuous 3D large-scale forcing (VARANAL3D) data set derived from 3D constrained variational analysis (3DCVA) extends the conventional constrained variational analysis method by incorporating multiple sub-columns within the analysis domain. This advancement introduces spatial variability into the large-scale forcing fields, thereby enriching the data set’s applicability. The VARANAL3D data set spans from 2004 to 2018 and covers a region of 5˚×4.5˚ domain around the ARM SGP site. The analysis domain is divided into 10×9 sub-columns with 0.5˚ resolution. The 3D large-scale forcing data provides necessary variables to drive and evaluate single-column models (SCM), cloud-resolving models (CRM) ,and large-eddy simulations (LES), as well as information for testing model sensitivity to spatial variability of the large-scale forcing data, facilitating more rigorous testing and refinement of physical processes in SCM/CRM/LES.

54 ENVIRONMENTAL SCIENCES↗