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Efficient Neural Network Approaches for Conditional Optimal Transport with Applications in Bayesian Inference

In this work, we present two neural network approaches that approximate the solutions of static and dynamic conditional optimal transport (COT) problems. Both approaches enable conditional sampling and conditional density estimation, which are core tasks in Bayesian inference—particularly in the simulation-based (“likelihood-free”) setting. Our methods represent the target conditional distribution as a transformation of a tractable reference distribution. Obtaining such a transformation, chosen here to be an approximation of the COT map, is computationally challenging even in moderate dimensions. To improve scalability, our numerical algorithms use neural networks to parameterize candidate maps and further exploit the structure of the COT problem. Our static approach approximates the map as the gradient of a partially input convex neural network. It uses a novel numerical implementation to increase computational efficiency compared to state-of-the-art alternatives. Our dynamic approach approximates the conditional optimal transport via the flow map of a regularized neural ODE; compared to the static approach, it is slower to train but offers more modeling choices and can lead to faster sampling. We demonstrate both algorithms numerically, comparing them with competing state-of-the-art approaches, using benchmark datasets and simulation-based Bayesian inverse problems.

97 MATHEMATICS AND COMPUTING↗

Solar Living House Final Technical Report

The Solar Living House is a high-performance solar-powered dwelling designed by a team of faculty and students from the University of Florida, in collaboration with Santa Fe College, the National University of Singapore, and Alachua Habitat for Humanity. The project was designed in accordance with the Solar Decathlon 2015, a research, design, education, and outreach program developed by the U.S. Department of Energy (DOE). The Solar Living House is fundamentally a house for living, centered on people and the activities of daily life while quietly introducing advanced design, construction, and engineering technologies. The 993 square-foot two-bedroom one-bath home was designed to embrace and frame an exterior courtyard space. This courtyard acts as an extension of the interior living spaces, maximizing the spatial potentials of a modest building footprint and introducing natural light into the primary living spaces of the house. Research Outcomes: The Solar Living House advances work on high-performance buildings through three principal technological innovations: wet/dry modular construction, a building automation system, and solar dehumidification systems. Wet / Dry Modular Construction: The house is designed as a series of five modules, including one that is designated as the “wet core.” The wet core consolidates the mechanical systems and bathroom into a single module to reduce plumbing runs, efficiency losses, and on-site construction time. The other four modules are designed to eliminate interior load bearing walls to allow for maximum flexibility in the reconfiguring of the space over time. The modules are designed to meet the structural challenges of both Florida’s hurricanes and California’s earthquakes. Building Automation System: The house is equipped with an integrated building automation system, allowing the houses environmental systems, lights, security systems, and smoke detectors to be programmed, monitored, and controlled through any mobile or computing device. These systems allow for more precise calibrations of temperature/humidity/lighting to correspond with user needs and preferences, minimizing energy losses with economical night- or day-time setbacks. Solar Dehumidification System: The most significant technological innovation in the Solar Living House is the solar thermal dehumidification system. This system generates hot water through two rooftop-mounted evacuated tube solar thermal collectors. The hot water is used to continually dry a regenerative solid desiccant material, typically white silica gel. The solid desiccant is used to adsorb moisture and humidity from the air without additional mechanical cooling. This strategy allows humidity to be modulated independently of air temperature, providing greater thermal comfort and reducing the opportunity for the growth of mold spores within the house while also reducing the overall energy consumption of the HVAC system. Economic Feasibility: The team set aggressive goals for affordability, targeting a construction cost of $138,710. An independent professional cost estimator determined the overall project costs, as designed, would be $333,799, or $336.15 per square foot of finished floor area. This is more than 2.4 times the target construction cost. By comparison, the average construction cost for a home in the United States in 2015 was $289,415, or $103.29 per square foot of finished floor area. Following work on the Solar Living House, team leaders incorporated many of its objectives into a net-zero energy home on a site in Gainesville, Florida. This site-built home avoided many of the constraints and complications of modular construction necessitated by the Solar Decathlon, allowing it to be built for a much more modest budget. This two-bedroom two bath 1,800 square foot home was constructed for $135.39 per square foot, including active photovoltaic solar systems, careful attention to continuous air barriers, increased insulation levels, and permanent site constructions. This project suggest that high-performance buildings can be realized for more modest budgets. Public Benefits: Work on the Solar Living House and Solar Decathlon 2015 offered our student team unparalleled learning opportunities. Because of the duration of the project, a number of students participated at different points in their education, from first year undergraduates all the way through to advanced graduate students. The opportunity for collaboration with students and faculty from the National University of Singapore was also extraordinary, allowing for a sharing of technical knowledge and cultural exchange. The wider public has benefited from this work as its findings have been shared through public presentations and publications. It serves as a useful stepping stone along the path towards affordable, high-performance buildings.

14 SOLAR ENERGY↗

Unitary Thermal Energy Management for Propulsion Range Augmentation (UTEMPRA)

Battery Electric Vehicles (BEVs) encounter weather-dependent driving range. A major drain on the vehicle battery is the HVAC system which, when typically using resistive heating only, can result in a reduction of up to 50% of the driving range in winter weather. In this project, a BEV thermal management system is designed and demonstrated on a Fiat 500e BEV. The system comprises a simple, compact, semi-hermetic refrigerant sub-system and an accompanying a coolant circulatory system which, through an innovative valve arrangement, is used to transfer heat between the several heat sources and sinks in the BEV. The system is capable of A/C and heat pump operation, thermal management of the traction battery and powertrain electronics and also recycles waste heat of the vehicle powertrain to heat the cabin to further converse energy. An automated control system is implemented and tested that selects the relevant mode of operation and optimizes energy usage while meeting vehicle thermal requirements. In wind tunnel tests, the vehicle and UTEMPRA system demonstrated 13% (the target of the project was set at 15%) range increase at -10°C driving at a steady 40 kph speed. The vehicle also demonstrated full capability to automatically control thermal conditions at a wide range of ambient temperatures thus demonstrating the viability of such a system in practice.

33 ADVANCED PROPULSION SYSTEMS↗

2018 Annual Site Environmental Report Summary

We are committed to act as stewards of our environment to achieve our mission in accordance with all applicable environmental requirements. We set continual improvement objectives and targets, measure and document our progress, and share our results with our workforce, sponsors, and public. We reduce our environmental risk through legacy cleanup, pollution prevention, and long-term sustainability programs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ASER Annual Site Environmental Report 2020 Summary

We are committed to act as stewards of our environment to achieve our mission in accordance with all applicable environmental requirements. We set continual improvement objectives and targets, measure and document our progress, and share ourresults with our workforce, sponsors, and public. We reduce our environmental risk through legacy cleanup, pollution prevention, and long-term sustainability programs.

54 ENVIRONMENTAL SCIENCES↗

Framework for Greenhouse Gas Emissions Reduction Planning: Building Portfolios

The goal of this Framework for greenhouse gas (GHG) emissions reduction planning (ERP) is to provide guidance to organizations seeking to reduce GHG emissions for their building portfolios and vehicle fleets. The process described in this framework helps organizations develop an actionable plan that prioritizes emissions reduction measures, identifies solutions, and lays out a phased pathway to achieve deep emissions reductions The plan aims to result in the achievement of Scope 1 and 2 GHG emissions reduction targets, in alignment with goals set within the U.S. Department of Energy’s (DOE’s) Better Climate Challenge, as well as longer term emissions reduction goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Evaluations for neutron-induced activation cross sections for Y and Zr isotopes

Activation cross sections are an important input for evaluating results of radiochemical analyses, both for basic science and programmatic applications. We present an update on cross sections for a select set of Y and Zr target isotopes, including several isomers. This effort will focus on a methodology to obtain uncertainty quantified systematic trends for reaction model parameters and propagate them to cross sections. We discuss our results in the context of previous calculations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

2024 ASER Summary: Annual Site Environmental Report Summary (Rev. 2)

The Laboratory’s Governing Policy for the Environment: (1) We are committed to act as stewards of our environment to achieve our mission in accordance with all applicable environmental requirements. (2) We set continual improvement objectives and targets, measure and document our progress, and share our results with our workforce, sponsors, and the public. (3) We reduce our environmental risk through legacy cleanup, pollution prevention, and long-term management programs.

54 ENVIRONMENTAL SCIENCES↗

MassIVE MSV000094084 - Data files for manuscript - Selected ion monitoring for orbitrap-based metabolomics: Please open README-data-for-SIM-paper-20240210.doc for details.

Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage. Please open README-data-for-SIM-paper-20240210.doc for details. [doi:10.25345/C5JH3DD3K] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Rabinowitz, Joshua↗

Selected Ion Monitoring for Orbitrap-Based Metabolomics

Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage.

59 BASIC BIOLOGICAL SCIENCES↗

MULTIPLEXING PRECISION RVs: SEARCHING FOR CLOSE-IN GAS GIANTS IN OPEN CLUSTERS

We present a multiplexed high-resolution (R ~ 50,000 median) spectroscopic survey designed to detect exoplanet candidates in two southern star clusters (NGC 2516 and NGC 2422) using the Michigan/Magellan Fiber System (M2FS) on the Magellan/Clay telescope at Las Campanas Observatory. With 128 available fibers in our observing mode, we are able to target every star in the core half-degree of each cluster that could plausibly be a solar-analog member. Our template-based spectral fits provide precise measurements of fundamental stellar properties—T eff (±30 K), [Fe/H] and [α/Fe] (±0.02 dex), and v r sin(i) (±0.3 km s -1 )—and radial velocities (RVs) by using telluric absorption features from 7160 to 7290 Å as a wavelength reference for 251 mid-F to mid-K stars (126 in NGC 2516 and 125 in NGC 2422) that comprise our survey. In each cluster, we have obtained ~10–12 epochs of our targets. Using repeat observations of an RV standard star, we show our approach can attain a single-epoch velocity precision of 25–60 m s -1 over a broad range of signal-to-noise ratios throughout our observational baseline of 1.1 years. Our technique is suitable for nonrapidly rotating stars cooler than mid-F. In this paper, we describe our observational sample and analysis methodology and present a detailed study of the attainable precision and measurement capabilities of our approach. Subsequent papers will provide results for stars observed in the target clusters, analyze our data set of RV time series for stellar jitter and stellar and substellar companions, and consider the implications of our findings on the clusters themselves.

79 ASTRONOMY AND ASTROPHYSICS↗

Outward to the Beginning: the CRAF and Cassini Missions of the Mariner Mark 2 Program

Two successive journeys will soon offer a perspective on the origin of the solar system and perhaps provide clues on the origin of life as well. The missions, the Comet Rendezvous Asteroid Flyby (CRAF) and Cassini (the Saturn orbiter/Titan probe), combine to form the first initiative of the Mariner Mark 2 program, a series of planetary missions whose common objective is to explore primitive bodies and the outer solar system, toward the ultimate goal of understanding the nature of our origins. Cassini and CRAF are exciting planetary missions. The objectives that they share, the region of the solar system in which comets, asteroids, and the Saturnian system have evolved and now reside, and the spacecraft that will carry both sets of experiments to their targets in the outer solar system are described.

Source record↗

Investigations into Generalization of Constraint-Based Scheduling Theories with Applications to Space Telescope Observation Scheduling

This final report summarizes research performed under NASA contract NCC 2-531 toward generalization of constraint-based scheduling theories and techniques for application to space telescope observation scheduling problems. Our work into theories and techniques for solution of this class of problems has led to the development of the Heuristic Scheduling Testbed System (HSTS), a software system for integrated planning and scheduling. Within HSTS, planning and scheduling are treated as two complementary aspects of the more general process of constructing a feasible set of behaviors of a target system. We have validated the HSTS approach by applying it to the generation of observation schedules for the Hubble Space Telescope. This report summarizes the HSTS framework and its application to the Hubble Space Telescope domain. First, the HSTS software architecture is described, indicating (1) how the structure and dynamics of a system is modeled in HSTS, (2) how schedules are represented at multiple levels of abstraction, and (3) the problem solving machinery that is provided. Next, the specific scheduler developed within this software architecture for detailed management of Hubble Space Telescope operations is presented. Finally, experimental performance results are given that confirm the utility and practicality of the approach.

Muscettola, Nicola↗

The Effect of Set Size on the Relation Between Saccadic and Perceptual Decisions During Search

We have shown that when searching for a disk in noise at one of 10 locations, the accuracy of the I st saccade is similar to that of the perceptual decision at the time of saccadic programming. The present study has two goals: 1) to test whether this linden - extends to a contrast-discrimination task without noise, and 2) to measure the effect of set size on the relation between saccadic and perceptual decisions. Methods: Three observers searched over a grey background (34.5 cd/sq m) for a bright disk (63.2 cd/sq m) among dim disks (54.1 cd/sq m) along the circumference of a circle (r = 5.9 deg.) centered on a fixation cress. Four set sizes (2, 4, 6, 12) were used. In the 1st condition, stimuli were presented for 1 sec. and observers used natural eye movements. We then measured the accuracy of the first saccade (% correct using a shortest-distance criterion). In the 2nd condition, observers fixated a central cross at all times and the stimulus duration was approx. 70 as less than the median latency of the first saccade in the 1st condition (saccadic programming time). We then recorded perceptual performance and discarded trials in which observers broke fixation. Results: For set sizes of 2, 4, 8, and 12, the mean d' across observers for the perceptual decision was 2.03, 1.96, 1.94, 1.71, respectively, while the mean d' of the first saccade was only 0.73, 1.40, 1.23, 1.17. Conclusions: Unlike detection of a disk in noise, for all observers and set-sizes, the perceptual accuracy at the time of saccadic programming is better than that of the lst saccade. For set-sizes of 4, 6, and 12, the amount of information available to the perceptual system relative to that available to the saccadic system is approximately constant (fixed do ratio). For these higher set sizes, the constancy in do across set size for both perception and saccadic decisions is consistent with a simple signal detection theory (SDT) model that processes noisy signals in parallel. However, for 2 observers, at a set-size of 2, saccadic targeting appears to be worse than the SDT model prediction, perhaps due to speed-accuracy trade-off.

Eckstein, M. P.↗

Propagation of Cosmic Rays and Diffuse Galactic Gamma Rays

This paper presents an introduction to the astrophysics of cosmic rays and diffuse gamma-rays and discusses some of the puzzles that have emerged recently due to more precise data and improved propagation models: the excesses in Galactic diffuse gamma-ray emission, secondary antiprotons and positrons, and the flatter than expected gradient of cosmic rays in the Galaxy. These also involve the dark matter, a challenge to modern physics, through its indirect searches in cosmic rays. Though the final solutions are yet to be found, I discuss some ideas and results obtained mostly with the numerical propagation model GALPROP. A fleet of spacecraft and balloon experiments targeting these specific issues is set to lift off in a few years, imparting a feeling of optimism that a new era of exciting discoveries is just around the corner. A complete and comprehensive discussion of all the recent results is not attempted here due to the space limitations.

Moskalenko, Igor V.↗

Acoustics Discipline Overview

As part of the Fundamental Aeronautics Program Annual Review, a summary of the progress made in 2007 in acoustics research under the Subsonic Fixed Wing project is given. The presentation describes highlights from in-house and external activities including partnerships and NRA-funded research with industry and academia. Brief progress reports from all acoustics Phase 1 NRAs are also included as are outlines of the planned activities for 2008 and all Phase 2 NRAs. N+1 and N+2 technology paths outlined for Subsonic Fixed Wing noise targets. NRA Round 1 progressing with focus on prediction method advancement. NRA Round 2 initiating work focused on N+2 technology, prediction methods, and validation. Excellent partnerships in progress supporting N+1 technology targets and providing key data sets.

Envia, Edmane↗

Presentation, Analysis, and Simulation of Active Alignment Strategies for the James Webb Space Telescope

This paper presents three characteristics in the simulated active alignment strategy of the James Webb Space Telescope. The first includes the analysis and comparison of a baseline active alignment strategy with a damped least squares strategy. This baseline utilizes prior knowledge by means of direct human operator interaction to engage sets of telescope compensators to target specific aberration signatures. The baseline is compared to a damped least-squares strategy that utilizes simultaneous engagement of all telescope compensators without explicit human operator inter<actiori to achieve a least-squares telescope compensation. Second, we discuss how the active alignment of the JWST is encapsulated in a linear optical model developed at the Space Telescope Science Institute. This linear optical model provides a framework for an efficient and robust description of the optical control properties of the JWST and clearly articulates the necessity for having a multi-instrument multi-field wavefront sensing strategy to overcome control system non independence and the effects of non-common path errors in the main wavefront sensing camera. Finally. we present analytical results that explicitly map the telescope wavefront responses to the telescope control modes, and we present Monte-Carlo optical performance simulation results that demonstrate the efficacy of the damped least-squares active alignment and the prior-knowledge active alignment schemes.

Upton, Robert S.↗