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Automation of orbit determination functions for National Aeronautics and Space Administration (NASA)-supported satellite missions

The Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC) provides spacecraft trajectory determination for a wide variety of National Aeronautics and Space Administration (NASA)-supported satellite missions, using the Tracking Data Relay Satellite System (TDRSS) and Ground Spaceflight and Tracking Data Network (GSTDN). To take advantage of computerized decision making processes that can be used in spacecraft navigation, the Orbit Determination Automation System (ODAS) was designed, developed, and implemented as a prototype system to automate orbit determination (OD) and orbit quality assurance (QA) functions performed by orbit operations. Based on a machine-resident generic schedule and predetermined mission-dependent QA criteria, ODAS autonomously activates an interface with the existing trajectory determination system using a batch least-squares differential correction algorithm to perform the basic OD functions. The computational parameters determined during the OD are processed to make computerized decisions regarding QA, and a controlled recovery process isactivated when the criteria are not satisfied. The complete cycle is autonomous and continuous. ODAS was extensively tested for performance under conditions resembling actual operational conditions and found to be effective and reliable for extended autonomous OD. Details of the system structure and function are discussed, and test results are presented.

Mardirossian, H.↗

Automation of orbit determination functions for National Aeronautics and Space Administration (NASA)-supported satellite missions

The Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC) provides spacecraft trajectory determination for a wide variety of National Aeronautics and Space Administration (NASA)-supported satellite missions, using the Tracking Data Relay Satellite System (TDRSS) and Ground Spaceflight and Tracking Data Network (GSTDN). To take advantage of computerized decision making processes that can be used in spacecraft navigation, the Orbit Determination Automation System (ODAS) was designed, developed, and implemented as a prototype system to automate orbit determination (OD) and orbit quality assurance (QA) functions performed by orbit operations. Based on a machine-resident generic schedule and predetermined mission-dependent QA criteria, ODAS autonomously activates an interface with the existing trajectory determination system using a batch least-squares differential correction algorithm to perform the basic OD functions. The computational parameters determined during the OD are processed to make computerized decisions regarding QA, and a controlled recovery process is activated when the criteria are not satisfied. The complete cycle is autonomous and continuous. ODAS was extensively tested for performance under conditions resembling actual operational conditions and found to be effective and reliable for extended autonomous OD. Details of the system structure and function are discussed, and test results are presented.

Mardirossian, H.↗

A Reference Model for Software and System Inspections. White Paper

Software Quality Assurance (SQA) is an important component of the software development process. SQA processes provide assurance that the software products and processes in the project life cycle conform to their specified requirements by planning, enacting, and performing a set of activities to provide adequate confidence that quality is being built into the software. Typical techniques include: (1) Testing (2) Simulation (3) Model checking (4) Symbolic execution (5) Management reviews (6) Technical reviews (7) Inspections (8) Walk-throughs (9) Audits (10) Analysis (complexity analysis, control flow analysis, algorithmic analysis) (11) Formal method Our work over the last few years has resulted in substantial knowledge about SQA techniques, especially the areas of technical reviews and inspections. But can we apply the same QA techniques to the system development process? If yes, what kind of tailoring do we need before applying them in the system engineering context? If not, what types of QA techniques are actually used at system level? And, is there any room for improvement.) After a brief examination of the system engineering literature (especially focused on NASA and DoD guidance) we found that: (1) System and software development process interact with each other at different phases through development life cycle (2) Reviews are emphasized in both system and software development. (Figl.3). For some reviews (e.g. SRR, PDR, CDR), there are both system versions and software versions. (3) Analysis techniques are emphasized (e.g. Fault Tree Analysis, Preliminary Hazard Analysis) and some details are given about how to apply them. (4) Reviews are expected to use the outputs of the analysis techniques. In other words, these particular analyses are usually conducted in preparation for (before) reviews. The goal of our work is to explore the interaction between the Quality Assurance (QA) techniques at the system level and the software level.

He, Lulu↗

Aerosol Properties over the Indo-Gangetic Plain: A Mesoscale Perspective from the TIGERZ Experiment

High aerosol loading over the northern Indian subcontinent can result in poor air quality leading to human health consequences and climate perturbations. The international 2008 TIGERZ experiment intensive operational period (IOP) was conducted in the Indo \Gangetic Plain (IGP) around the industrial city of Kanpur (26.51degN, 80.23deg E), India, during the premonsoon (April-June). Aerosol Robotic Network (AERONET) Sun photometers performed frequent measurements of aerosol properties at temporary sites distributed within an area covering 50 sq km around Kanpur to characterize pollution and dust in a region where complex aerosol mixtures and semi \bright surface effects complicate satellite retrieval algorithms. TIGERZ IOP Sun photometers quantified aerosol optical depth (AOD) increases up to 0.10 within and downwind of the city, with urban emissions accounting for 10 C20% of the IGP aerosol loading on deployment days. TIGERZ IOP area \averaged volume size distribution and single scattering albedo retrievals indicated spatially homogeneous, uniformly sized, spectrally absorbing pollution and dust particles. Aerosol absorption and size relationships were used to categorize black carbon and dust as dominant absorbers and to identify a third category in which both black carbon and dust dominate absorption.Moderate Resolution Imaging Spectroradiometer (MODIS) AOD retrievals with the lowest quality assurance (QA > or = 0) flags were biased high with respect to TIGERZ IOP area \averaged measurements. MODIS AOD retrievals with QA 0 had moderate correlation (R(sup 2) = 0.52-69) with the Kanpur AERONET site, whereas retrievals with QA > 0 were limited in number. Mesoscale \distributed Sun photometers quantified temporal and spatial variability of aerosol properties, and these results were used to validate satellite retrievals.

Giles, David M.↗

Near-Cloud Aerosol Properties from the 1 Km Resolution MODIS Ocean Product

This study examines aerosol properties in the vicinity of clouds by analyzing high-resolution atmospheric correction parameters provided in the MODIS (Moderate Resolution Imaging Spectroradiometer) ocean color product. The study analyzes data from a 2 week long period of September in 10 years, covering a large area in the northeast Atlantic Ocean. The results indicate that on the one hand, the Quality Assessment (QA) flags of the ocean color product successfully eliminate cloud-related uncertainties in ocean parameters such as chlorophyll content, but on the other hand, using the flags introduces a sampling bias in atmospheric products such as aerosol optical thickness (AOT) and Angstrom exponent. Therefore, researchers need to select QA flags by balancing the risks of increased retrieval uncertainties and sampling biases. Using an optimal set of QA flags, the results reveal substantial increases in optical thickness near clouds-on average the increase is 50% for the roughly half of pixels within 5 km from clouds and is accompanied by a roughly matching increase in particle size. Theoretical simulations show that the 50% increase in 550nm AOT changes instantaneous direct aerosol radiative forcing by up to 8W/m2 and that the radiative impact is significantly larger if observed near-cloud changes are attributed to aerosol particles as opposed to undetected cloud particles. These results underline that accounting for near-cloud areas and understanding the causes of near-cloud particle changes are critical for accurate calculations of direct aerosol radiative forcing.

near-cloud aerosols↗

Improving Tracer Particle Surface Properties for Wind Tunnel Research

The surface properties of micron size polystyrene latex microspheres (PSLs) modified with quaternary alkylammonium (QA) surfactants were investigated, with a focus on the relationship between surface chemistry and adhesion. These investigations were motivated by the need to develop non-fouling tracer particles for wind tunnel studies. The goals were to relate the work of adhesion between particles and substrates to the type and amount of QA modifier in order to optimize the performance of PSL tracers. Surfactant-free emulsion polymerization (SFEP) can produce PSLs for wind tunnel tracers. Covalentlybound charged groups (derived from the initiator) stabilize PSL surfaces in water. This work used PSLs with anionic surface groups. Previous studies indicated that surface-bound charged groups on PSLs have a significant impact on their interfacial energy. Modifying charged surface groups therefore offers a method to modulate PSL interfacial properties. In this work, PSLs and films were modified by adsorption of QA surfactants.

Schmitz, Russell C.↗

PVAnalytics: A Python Package for Automated Processing of Solar Time Series Data

Multiple publicly available software packages exist that analyze solar time series data, including RdTools and Solar Data Tools, among others. Several of these packages contain their own unique quality assurance (QA) and feature recognition algorithms. The python PVAnalytics package was developed to offer an internally consistent source for these analysis tools, making it easier for the end user to deploy these routines on his or her solar data. The PVAnalytics package currently contains routines for outlier detection, inverter clipping detection, irradiance and temperature checks, orientation checks, and data shift detection, among other functions. These functions have been aggregated from various sources including Solar Forecast Arbiter, RdTools, and the QA process developed by NREL's PV Fleets Initiative. We are continuously adding new functionality to the package, including documentation, examples and algorithms. By bundling QA functionality into a single software package, we hope to make PVAnalytics a comprehensive software library to support analysis of solar metadata and time series data.

data cleaning↗

Combining pairwise structural similarity and deep learning interface contact prediction to estimate protein complex model accuracy in CASP15

Abstract Estimating the accuracy of quaternary structural models of protein complexes and assemblies (EMA) is important for predicting quaternary structures and applying them to studying protein function and interaction. The pairwise similarity between structural models is proven useful for estimating the quality of protein tertiary structural models, but it has been rarely applied to predicting the quality of quaternary structural models. Moreover, the pairwise similarity approach often fails when many structural models are of low quality and similar to each other. To address the gap, we developed a hybrid method (MULTICOM_qa) combining a pairwise similarity score (PSS) and an interface contact probability score (ICPS) based on the deep learning inter‐chain contact prediction for estimating protein complex model accuracy. It blindly participated in the 15th Critical Assessment of Techniques for Protein Structure Prediction (CASP15) in 2022 and performed very well in estimating the global structure accuracy of assembly models. The average per‐target correlation coefficient between the model quality scores predicted by MULTICOM_qa and the true quality scores of the models of CASP15 assembly targets is 0.66. The average per‐target ranking loss in using the predicted quality scores to rank the models is 0.14. It was able to select good models for most targets. Moreover, several key factors (i.e., target difficulty, model sampling difficulty, skewness of model quality, and similarity between good/bad models) for EMA are identified and analyzed. The results demonstrate that combining the multi‐model method (PSS) with the complementary single‐model method (ICPS) is a promising approach to EMA.

59 BASIC BIOLOGICAL SCIENCES↗

Challenging problems of quality assurance and quality control (QA/QC) of meteorological time series data

Abstract Representativeness and quality of collected meteorological data impact accuracy and precision of climate, hydrological, and biogeochemical analyses and predictions. We developed a comprehensive Quality Assurance (QA) and Quality Control (QC) statistical framework, consisting of three major phases: Phase I—Preliminary data exploration, i.e., processing of raw datasets, with the challenging problems of time formatting and combining datasets of different lengths and different time intervals; Phase II—QA of the datasets, including detecting and flagging of duplicates, outliers, and extreme data; and Phase III—the development of time series of a desired frequency, imputation of missing values, visualization and a final statistical summary. The paper includes two use cases based on the time series data collected at the Billy Barr meteorological station (East River Watershed, Colorado), and the Barro Colorado Island (BCI, Panama) meteorological station. The developed statistical framework is suitable for both real-time and post-data-collection QA/QC analysis of meteorological datasets.

54 ENVIRONMENTAL SCIENCES↗

Combinatorial optimization and spatial remodeling of CYPs to control product profile

Activating inert substrates is a challenge in nature and synthetic chemistry, but essential for creating functionally active molecules. In this work, we used a combinatorial optimization approach to assemble cytochrome P450 monooxygenases (CYPs) and reductases (CPRs) to achieve a target product profile. By creating 110 CYP-CPR pairs and iteratively screening different pairing libraries, we demonstrated a framework for establishing a CYP network that catalyzes six oxidation reactions at three different positions of a chemical scaffold. Target product titer was improved by remodeling endoplasmic reticulum (ER) size and spatially controlling the CYPs’ configuration on the ER. Out of 47 potential products that could be synthesized, 86% of the products synthesized by the optimized network was our target compound quillaic acid (QA), the aglycone backbone of many pharmaceutically important saponins, and fermentation achieved QA titer 2.23 g/L.

59 BASIC BIOLOGICAL SCIENCES↗

Quaternary Ammonium-Functionalized Poly(Arylene Ether Sulfone) Random Copolymers for Direct Air Capture

Direct air capture (DAC) is a promising tool for reducing CO 2 concentrations in the atmosphere and fighting climate change. We synthesized a series of quaternary ammonium (QA) functionalized poly(arylene ether sulfone) copolymers with varying mole fractions of charge content and demonstrated their potential as sorbents for DAC. Molecular weight analysis determined high monomer conversion was achieved in <6 h and relatively high molecular weights for all copolymer compositions. Thermal analysis revealed all polymers had degradation temperatures >240 °C and a single glass transition temperature (T g ); the T g decreased with an increase in ion exchange capacity (IEC). Fractional free volume and water uptake percentage increased and water contact angle decreased with the number of QA sites when compared to a neutral, commercially available polysulfone (Udel® P-1700 PSU). Next, the novel series of ammonium-functionalized copolymers exhibited a moisture-mediated capture and release of atmospheric CO 2 . When exposed to air containing 30% relative humidity the polymers captured CO 2 and the capacity increased with the IEC. When the relative humidity was increased to 95% the samples released the CO 2 . This study demonstrates a promising CO 2 DAC sorbent and highlights the possibility for continuous DAC with purpose-built free-standing membranes.

42 ENGINEERING↗

H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials

This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.

36 MATERIALS SCIENCE↗

Ion-temperature-gradient stability near the magnetic axis of quasisymmetric stellarators

Abstract The stability of the ion-temperature gradient mode in quasisymmetric stellarators is assessed. This is performed using a set of analytical estimates together with linear gyrokinetic simulations. The peak growth rates, their corresponding real frequencies and wave-vectors are identified. A comparison is made between a first-order near-axis expansion model and eleven realistic designs obtained using numerical optimization methods. It is found that while the near-axis expansion is able to replicate the growth rates, real frequencies and perpendicular wave-vector at the inner core (both using simplified dispersion relations and first-principle gyrokinetic simulations), it leads to an overestimation of the growth rate at larger radii. An approximate analytic solution of the ITG dispersion relation for the non-resonant limit suggests growth rates could be systematically higher in quasi-axisymmetric (QA) configurations compared to quasi-helically (QH) symmetric ones. However except for very close to the axis, linear gyrokinetic simulations do not show systematic differences between QA and QH configurations.

Physics↗

Integrating novel stellarator single-stage optimization algorithms to design the Columbia stellarator experiment

Abstract The Columbia Stellarator eXperiment (CSX), currently being designed at Columbia University, aims to test theoretical predictions related to QA plasma behavior, and to pioneer the construction of an optimized stellarator using three-dimensional, non-insulated high-temperature superconducting (NI-HTS) coils. The magnetic configuration is generated by a combination of two circular planar poloidal field (PF) coils and two 3D-shaped interlinked (IL) coils, with the possibility to add windowpane coils to enhance shaping and experimental flexibility. The PF coils and vacuum vessel are repurposed from the former Columbia Non-Neutral Torus experiment, while the IL coils will be custom-wound in-house using NI-HTS tapes. To obtain a plasma shape that meets the physics objectives with a limited number of coils, novel single-stage optimization techniques are employed, optimizing both the plasma and coils concurrently, in particular targeting a tight aspect ratio QA plasma and minimized strain on the HTS tape. Despite the increased complexity due to the expanded degrees of freedom, these methods successfully identify optimized plasma geometries that can be realized by coils meeting engineering specifications. This paper discusses the derivation of the constraints and objectives specific to CSX, and describe how two recently developed single-stage optimization methodologies are applied to the design of CSX. A set of selected configurations for CSX is then described in detail.

Baillod, A. (ORCID:0000000303529180)↗

Enhancing quantum annealing accuracy through replication-based error mitigation *

Abstract Quantum annealers like those manufactured by D-Wave Systems are designed to find high quality solutions to optimization problems that are typically hard for classical computers. They utilize quantum effects like tunneling to evolve toward low-energy states representing solutions to optimization problems. However, their analog nature and limited control functionalities present challenges to correcting or mitigating hardware errors. As quantum computing advances towards applications, effective error suppression is an important research goal. We propose a new approach called replication based mitigation (RBM) based on parallel quantum annealing (QA). In RBM, physical qubits representing the same logical qubit are dispersed across different copies of the problem embedded in the hardware. This mitigates hardware biases, is compatible with limited qubit connectivity in current annealers, and is well-suited for currently available noisy intermediate-scale quantum annealers. Our experimental analysis shows that RBM provides solution quality on par with previous methods while being more flexible and compatible with a wider range of hardware connectivity patterns. In comparisons against standard QA without error mitigation on larger problem instances that could not be handled by previous methods, RBM consistently gets better energies and ground state probabilities across parameterized problem sets.

Djidjev, Hristo N. (ORCID:0000000192868824)↗

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Production, quality assurance and quality control of the SiPM Tiles for the DarkSide-20k Time Projection Chamber

The DarkSide-20k dark matter direct detection experiment will employ a 21 m 2 silicon photomultiplier (SiPM) array, instrumenting a dual-phase 50 tonnes liquid argon Time Projection Chamber (TPC). SiPMs are arranged into modular photosensors called Tiles, each integrating 24 SiPMs onto a printed circuit board (PCB) that provides signal amplification, power distribution, and a single-ended output for simplified readout. Tiles are further grouped into Photo-Detector Units (PDUs). This paper details the production of the Tiles and the Quality Assurance and Quality Control (QA-QC) protocol established to ensure their performance and uniformity. The production and QA-QC of the Tiles are carried out at Nuova Officina Assergi (NOA), an ISO-6 clean room facility at LNGS. This process includes wafer-level cryogenic characterisation, precision die attaching, wire bonding, and extensive electrical and optical validation of each Tile. The overall production yield exceeds 83.5%, matching the requirements of the DarkSide-20k production plan. These results validate the robustness of the Tile design and its suitability for operation in a cryogenic environment.

Acerbi, F. [Fondazione Bruno Kessler]↗

Attention-based Aspect Reasoning for Knowledge Base Question Answering on Clinical Notes

Question Answering (QA) in clinical notes has gained a lot of attention in the past few years. Existing machine reading comprehension approaches in clinical domain can only handle questions about a single block of clinical texts and fail to retrieve information about different patients and clinical notes. To handle more complex questions, we aim at creating knowledge base from clinical notes to link different patients and clinical notes, and performing knowledge base question answering (KBQA). Based on the expert annotations in n2c2, we first created the ClinicalKBQA dataset that includes 8,952 QA pairs and covers questions about seven medical topics through 322 question templates. Then, we proposed an attention-based aspect reasoning (AAR) method for KBQA and investigated the impact of different aspects of answers (e.g., entity, type, path, and context) for prediction. The AAR method achieves better performance due to the well-designed encoder and attention mechanism. In the experiments, we find that both aspects, type and path, enable the model to identify answers satisfying the general conditions and produce lower precision and higher recall. On the other hand, the aspects, entity and context, limit the answers by node-specific information and lead to higher precision and lower recall.

Wang, Ping↗