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DOE OSTI2024

Characterizing climate pathways using feature importance on echo state networks

The 2022 National Defense Strategy of the United States listed climate change as a serious threat to national security. Climate intervention methods, such as stratospheric aerosol injection, have been proposed as mitigation strategies, but the downstream effects of such actions on a complex climate system are not well understood. The development of algorithmic techniques for quantifying relationships between source and impact variables related to a climate event (i.e., a climate pathway) would help inform policy decisions. Data-driven deep learning models have become powerful tools for modeling highly nonlinear relationships and may provide a route to characterize climate variable relationships. In this paper, we explore the use of an echo state network (ESN) for characterizing climate pathways. ESNs are a computationally efficient neural network variation designed for temporal data, and recent work proposes ESNs as a useful tool for forecasting spatiotemporal climate data. However, ESNs are noninterpretable black-box models along with other neural networks. The lack of model transparency poses a hurdle for understanding variable relationships. We address this issue by developing feature importance methods for ESNs in the context of spatiotemporal data to quantify variable relationships captured by the model. We conduct a simulation study to assess and compare the feature importance techniques, and we demonstrate the approach on reanalysis climate data. In the climate application, we consider a time period that includes the 1991 volcanic eruption of Mount Pinatubo. This event was a significant stratospheric aerosol injection, which acts as a proxy for an anthropogenic stratospheric aerosol injection. Furthermore, we are able to use the proposed approach to characterize relationships between pathway variables associated with this event that agree with relationships previously identified by climate scientists.

black-box models↗

DOE OSTI2021

A propagation-based fault detection and discrimination method and the optimization of sensor deployment

Industrial processes can be affected by faults having a serious impact on operation when not promptly detected and diagnosed. Here in this paper, a propagation-based fault detection and discrimination(PFDD) method is proposed to develop a strategy for fault diagnosis while in the design phase of a system. The PFDD method constructs the system model using the Integrated System Fault Analysis(ISFA) technique. Based on the system model, the propagation of hardware and software faults are simulated qualitatively. Given the results of the simulation, the process by which a fault propagates can be characterized using the qualitative features of system variables including the deviation of the system variables from their expected values, the variation of the system variables over time, and the order in which each variable is influenced during the propagation of the fault. The strategy by which a fault can be detected and discriminated is defined using those features. The PFDD method supports the detection and discrimination of faults in both steady states and transient states. Based on the PFDD method, the optimization of sensor deployment in a system is discussed. A brute force algorithm is developed to examine the system’s capability at diagnosing faults and the cost of sensor deployment for all possible configurations of sensors. The optimal sensor deployment strategy can be derived accordingly. However, the brute force method is only applicable to small-scale systems due to its high computational cost. A genetic algorithm is used to optimize sensor deployment in large-scale systems. The PFDD and sensor deployment optimization methods are applied to the Experimental Breeder Reactor II (EBR-II) for verification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Advancing quantum simulations of the nuclear shell model with Gray-code–based resource-efficient protocols

Background: Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei are one such case with high demand for resources, as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. Purpose: To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. Here, we aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. Methods: We achieve noise resilience by designing an optimized Ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states, incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray-code encoding and generalizing transformations of fermionic operators to efficiently represent many-body states. Results: By employing the resource-efficient protocols, we achieve the ground and excited state energy levels of 38 Ar and 6 Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan-Wigner and Gray-code encoding using VQE, qubit-ADAPT-VQE, and VQD. Conclusions: Our work highlights the potential of resource-efficient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations, offering a pathway toward more complex quantum simulations in nuclear physics. This approach establishes a framework for studying other nuclear systems with improved quantum resource efficiency, marking a significant advancement in applying quantum computing to realistic nuclear physics applications.

Physics - Nuclear physics and radiation physics↗

DOE OSTI2020

Quantum state reduction: Generalized bipartitions from algebras of observables

Reduced density matrices are a powerful tool in the analysis of entanglement structure, approximate or coarse-grained dynamics, decoherence, and the emergence of classicality. It is straightforward to produce a reduced density matrix with the partial-trace map by tracing out part of the quantum state, but in many natural situations this reduction may not be achievable. We investigate the general problem of identifying how the quantum state is reduced given a restriction on the observables. For example, in an experimental setting, the set of observables that can actually be measured is usually modest (compared to the set of all possible observables) and their resolution is limited. In such situations, the appropriate state-reduction map can be defined via a generalized bipartition, which is associated with the structure of irreducible representations of the algebra generated by the restricted set of observables. One of our main technical results is a general, not inherently numeric, algorithm for finding irreducible representations of matrix algebras. In our work, we demonstrate the viability of this approach with two examples of limited-resolution observables. The definition of quantum state reductions can also be extended beyond algebras of observables. To accomplish this task we introduce a more flexible notion of bipartition, the partial bipartition, which describes coarse grainings preserving information about a limited set (not necessarily algebra) of observables. We describe a variational method to choose the coarse grainings most compatible with a specified Hamiltonian, which exhibit emergent classicality in the reduced state space. We apply this construction to the concrete example of the one-dimensional Ising model. Our results have relevance for quantum information, bulk reconstruction in holography, and quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1989

Attitude angle effects on Nimbus-7 Scanning Multichannel Microwave Radiometer radiances and geophysical parameter retrievals

The attitude of the Nimbus-7 spacecraft has varied significantly over its lifetime. A summary of the orbital and long-term behavior of the attitude angles and the effects of attitude variations on Scanning Multichannel Microwave Radiometer (SMMR) brightness temperatures is presented. One of the principal effects of these variations is to change the incident angle at which the SMMR views the Earth's surface. The brightness temperatures depend upon the incident angle sensitivities of both the ocean surface emissivity and the atmospheric path length. Ocean surface emissivity is quite sensitive to incident angle variation near the SMMR incident angle, which is about 50 degrees. This sensitivity was estimated theoretically for a smooth ocean surface and no atmosphere. A 1-degree increase in the angle of incidence produces a 2.9 C increase in the retrieved sea surface temperature and a 5.7 m/sec decrease in retrieved sea surface wind speed. An incident angle correction is applied to the SMMR radiances before using them in the geophysical parameter retrieval algorithms. The corrected retrieval data is compared with data obtained without applying the correction.

Macmillan, Daniel S.↗

NASA NTRS1990

Attitude sensor alignment calibration for the solar maximum mission

An earlier heuristic study of the fine attitude sensors for the Solar Maximum Mission (SMM) revealed a temperature dependence of the alignment about the yaw axis of the pair of fixed-head star trackers relative to the fine pointing Sun sensor. Here, new sensor alignment algorithms which better quantify the dependence of the alignments on the temperature are developed and applied to the SMM data. Comparison with the results from the previous study reveals the limitations of the heuristic approach. In addition, some of the basic assumptions made in the prelaunch analysis of the alignments of the SMM are examined. The results of this work have important consequences for future missions with stringent attitude requirements and where misalignment variations due to variations in the temperature will be significant.

Pitone, Daniel S.↗

NASA NTRS1991

Global lightning studies

The global lightning signatures were analyzed from the DMSP Optical Linescan System (OLS) imagery archived at the National Snow and Ice Data Center. Transition to analysis of the digital archive becomes available and compare annual, interannual, and seasonal variations with other global data sets. An initial survey of the quality of the existing film archive was completed and lightning signatures were digitized for the summer months of 1986 to 1987. The relationship is studied between: (1) global and regional lightning activity and rainfall, and (2) storm electrical development and environment. Remote sensing data sets obtained from field programs are used in conjunction with satellite/radar/lightning data to develop and improve precipitation estimation algorithms, and to provide a better understanding of the co-evolving electrical, microphysical, and dynamical structure of storms.

Goodman, Steven J.↗

NASA NTRS1991

Inversion techniques for recovering two-dimensional distributions of auroral emission rates from tomographic rocket photometer measurements

This paper demonstrates how the spatial distribution of optical emission rates within an auroral arc may be recovered from rocket photometer measurements made in a tomographic spin scan mode. The tomographic inversion procedures required to recover this information and the implementation of two inversion algorithms that are particularly well suited for dealing with the problem of noise in the observational data are described. The performance of the inversion algorithms and the limitations of the rocket tomography technique are assessed using various sets of simulated rocket measurements that were generated from 'known' auroral emission-rate distributions. The simulations are used to investigate how the quality of the tomographic recovery may be influenced by various factors such as noise in the data, rocket penetration of the auroral form, background sources of emission, smearing due to the photometer field of view, and temporal variations in the auroral form.

Mcdade, Ian. C.↗

NASA NTRS2002

Software for Simulation of Hyperspectral Images

A package of software generates simulated hyperspectral images for use in validating algorithms that generate estimates of Earth-surface spectral reflectance from hyperspectral images acquired by airborne and spaceborne instruments. This software is based on a direct simulation Monte Carlo approach for modeling three-dimensional atmospheric radiative transport as well as surfaces characterized by spatially inhomogeneous bidirectional reflectance distribution functions. In this approach, 'ground truth' is accurately known through input specification of surface and atmospheric properties, and it is practical to consider wide variations of these properties. The software can treat both land and ocean surfaces and the effects of finite clouds with surface shadowing. The spectral/spatial data cubes computed by use of this software can serve both as a substitute for and a supplement to field validation data.

Richtsmeier, Steven C.↗

NASA NTRS2003

Numerical Models of Human Circulatory System under Altered Gravity: Brain Circulation

A computational fluid dynamics (CFD) approach is presented to model the blood flow through the human circulatory system under altered gravity conditions. Models required for CFD simulation relevant to major hemodynamic issues are introduced such as non-Newtonian flow models governed by red blood cells, a model for arterial wall motion due to fluid-wall interactions, a vascular bed model for outflow boundary conditions, and a model for auto-regulation mechanism. The three-dimensional unsteady incompressible Navier-Stokes equations coupled with these models are solved iteratively using the pseudocompressibility method and dual time stepping. Moving wall boundary conditions from the first-order fluid-wall interaction model are used to study the influence of arterial wall distensibility on flow patterns and wall shear stresses during the heart pulse. A vascular bed modeling utilizing the analogy with electric circuits is coupled with an auto-regulation algorithm for multiple outflow boundaries. For the treatment of complex geometry, a chimera overset grid technique is adopted to obtain connectivity between arterial branches. For code validation, computed results are compared with experimental data for steady and unsteady non-Newtonian flows. Good agreement is obtained for both cases. In sin-type Gravity Benchmark Problems, gravity source terms are added to the Navier-Stokes equations to study the effect of gravitational variation on the human circulatory system. This computational approach is then applied to localized blood flows through a realistic carotid bifurcation and two Circle of Willis models, one using an idealized geometry and the other model using an anatomical data set. A three- dimensional anatomical Circle of Willis configuration is reconstructed from human-specific magnetic resonance images using an image segmentation method. The blood flow through these Circle of Willis models is simulated to provide means for studying gravitational effects on the brain circulation under auto-regulation.

Kim, Chang Sung↗

NASA NTRS2020

Assessment of MODIS On-orbit Polarization Impact on Detector Relative Calibration

The Moderate-Resolution Imaging Spectroradiometer (MODIS) has been maintained its nominal operations since it was launched in December 1999 on Terra and May 2002 on Aqua spacecraft, respectively. MODIS is a scanning radiometer with a two-sided mirror that scans the Earth over an angular range from -55° to +55° off nadir and covers a wavelength range from 0.4 to 14.4 μm in 36 spectral bands. The sensitivity to polarization was fully characterized during prelaunch characterization for each reflective solar band (RSB), detector and mirror side as a function of scan angle. It was observed that while on-orbit polarization sensitivity for Aqua MODIS has been stable over the course of mission, the Terra MODIS polarization sensitivity at a few short wavelengths showed a significant increase near the end of scan angle after a few years in the mission. Our previous study examined the impact of polarization on the measured top-of-atmosphere reflectances obtained over the pseudo-invariant desert sites. There are up to 25% change in gain and 30% seasonal variation in select Terra RSBs due to the increase in polarization sensitivity. In this study, we examine relative changes in the polarization sensitivity of detectors within a band. Results from prelaunch tests indicate that there is a noticeable detector dependent polarization sensitivity and it is expected that such a dependency could change on orbit, particularly for Terra MODIS. Results of this study provide useful information on polarization impact and implementation of the correction algorithm.

MODIS↗

NASA NTRSDate not supplied

Aerocapture Trajectory Design for Uranus Orbiter

Introduction: The recently released National Academies Planetary Science and Astrobiology Decadal Survey 2023-2032 [1] identified the Ice Giants as the top priority science destination. While the survey acknowledged the potential for either a Uranus Orbiter and Probe (UOP) mission or a Neptune-Triton Odyssey mission, it ultimately identified the former as the highest priority new flagship mission. UOP missions calls for a launch window of opportunity between 2031-2038 with 12-15 year interplanetary cruise time along with a fully-propulsive Uranus Orbit Insertion burn on the order of a few km/s. However, a mission to Uranus with the same science payload could utilize aerocapture for orbit insertion to achieve both a significant reduction in the interplanetary cruise time and reduction in propulsive burn costs. Why Aerocapture: Aerocapture is a promising propellant and time-saving orbital insertion technique for planetary destinations with an atmosphere. Although not flight-proven, previous aerocapture systems studies in the literature have demonstrated both the validity and robustness of the technique at various planetary destinations. With respect to the Ice Giant planets, Neptune has seen more of the analysis in the literature. For science missions at Neptune, aerocapture can enable 1.4 times more delivered mass to orbit than an all-propulsive mission for the same launch vehicle while reducing interplanetary cruise times by more than 3 years [2] Additionally with modern guidance and control, Neptune aerocapture with blunt-body aeroshells is realizable [3][4]. There are limited papers in the literature investigating Uranus aerocapture with those available providing a preliminary feasibility assessment [5]. Consequently, the two-year funded NASA Space Technology Mission Directorate (STMD)-funded project, titled Aerocapture System as an Enabling Technology for Ice Giants Missions, aims to mature the analysis and technology state of Uranus aerocapture. Trajectory Design: This paper presents the current state of the trajectory design in support of the new aerocapture project. The project design philosophy is inspired from recent Neptune aerocapture studies, which employed modern guidance and control, in the sense that blunt-body aeroshells are analyzed. An assessment of the theoretical flight path angle corridor width is conducted for a range of ballistic coefficients and lift-to-drag ratios for both Space Launch System and Falcon Heavy Launch Vehicle interplanetary trajectory solutions. The results from the corridor width assessment provide an assessment of the aerocapture design-space and qualitative metrics on trajectory design considerations. The Program to Optimize Simulated Trajectories II (POST2) is utilized to run Monte Carlo simulations of Uranus aerocapture three-degree-of-freedom bank angle modulated trajectories using a closed-loop numerical-predictor corrector guidance algorithm. UranusGRAM 2021 is utilized as the atmospheric model [6]. A Uranus-developed aerodatabase, originally derived from Mars Science Laboratory (MSL), is utilized to provide vehicle aerodynamics over a wide range of hypersonic flow regimes. A MSL-derived 70 deg 4.5m diameter sphere-cone aeroshell that houses the UOP payload mass is assumed. Robustness testing and performance analysis is conducted, including the assessment of entry state errors, atmosphere density variations, and aerodynamic dispersions. Post-aerocapture Delta-V and aerothermal statistics are formulated into propellant mass and TPS requirements. The results presented in the paper will demonstrate the trajectory viability of Uranus aerocapture. Preliminary Results: Preliminary trajectory design results indicates successful Uranus aerocapture with a blunt-body aeroshell housing the same payload mass as the UOP mission from an Earth-to-Uranus interplanetary trajectory arriving in less than 7 years. From this interplanetary trajectory, aerocapture provides an orbit insertion Delta-V capability of 6.9 km/s requiring less than 300 m/s for post-aerocapture correction burns (15% of wet mass allocated to propellant). To put this into perspective, the UOP study utilized an Earth-to-Uranus trajectory that arrives in 13 years and requires more than 1000 m/s for fully-propulsive orbit insertion (40% of wet mass allocated to propellant). Achieving the same 6.9 km/s Delta-V capability fully-propulsively is mass prohibitive (97% of wet mass allocated to propellant). Nevertheless, aerocapture has the potential to reduce interplanetary transit times to Uranus by half while delivering the same payload mass to orbit in a reduced propellant mass footprint.

Rohan Deshmukh↗

DOE OSTI2022

Representation Learning via Quantum Neural Tangent Kernels

Variational quantum circuits are used in quantum machine learning and variational quantum simulation tasks. Designing good variational circuits or predicting how well they perform for given learning or optimization tasks is still unclear. Here we discuss these problems, analyzing variational quantum circuits using the theory of neural tangent kernels. We define quantum neural tangent kernels, and derive dynamical equations for their associated loss function in optimization and learning tasks. We analytically solve the dynamics in the frozen limit, or lazy training regime, where variational angles change slowly and a linear perturbation is good enough. We extend the analysis to a dynamical setting, including quadratic corrections in the variational angles. We then consider a hybrid quantum classical architecture and define a large-width limit for hybrid kernels, showing that a hybrid quantum classical neural network can be approximately Gaussian. The results presented here show limits for which analytical understandings of the training dynamics for variational quantum circuits, used for quantum machine learning and optimization problems, are possible. These analytical results are supported by numerical simulations of quantum machine-learning experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Towards quantum simulations in particle physics and beyond on noisy intermediate-scale quantum devices

We review two algorithmic advances that bring us closer to reliable quantum simulations of model systems in high-energy physics and beyond on noisy intermediate-scale quantum (NISQ) devices. The first method is the dimensional expressivity analysis of quantum circuits, which allows for constructing minimal but maximally expressive quantum circuits. The second method is an efficient mitigation of readout errors on quantum devices. Both methods can lead to significant improvements in quantum simulations, e.g. when variational quantum eigensolvers are used. This article is part of the theme issue ‘Quantum technologies in particle physics’.

Science & Technology - Other Topics↗

DOE OSTI2025

Reweighting simulated events using machine-learning techniques in the CMS experiment

Data analyses in particle physics rely on an accurate simulation of particle collisions and a detailed simulation of detector effects to extract physics knowledge from the recorded data. Event generators together with a GEANT -based simulation of the detectors are used to produce large samples of simulated events for analysis by the LHC experiments. These simulations come at a high computational cost, where the detector simulation and reconstruction algorithms have the largest CPU demands. This article describes how machine-learning (ML) techniques are used to reweight simulated samples obtained with a given set of parameters to samples with different parameters or samples obtained from entirely different simulation programs. The ML reweighting method avoids the need for simulating the detector response multiple times by incorporating the relevant information in a single sample through event weights. Results are presented for reweighting to model variations and higher-order calculations in simulated top quark pair production at the LHC. This ML-based reweighting is an important element of the future computing model of the CMS experiment and will facilitate precision measurements at the High-Luminosity LHC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1984

One-dimensional unsteady modeling of supersonic inlet unstart/restart

A quasi-one-dimensional unsteady inviscid analysis of mixed-compression supersonic inlet flow is presented with emphasis on modeling of inlet unstart/restart phenomena. Numerical solution of the governing equations of motion is performed using a computationally efficient shock-capturing split-characteristics algorithm. Inlet unstart is modeled using a mass balance method which relates the expelled normal shock position ahead of the inlet cowl to the amount of spilled mass flow over the inlet housing. Comparison of computed results with experimental data for an axisymmetric inlet at a free-stream Mach number of 2.50 shows quite reasonable agreement over an entire unstart/restart transient which includes centerbody translation and retraction as well as bypass mass flow variations.

Adams, J. C., Jr.↗

NASA NTRS2005

Closed Loop Active Flow Separation Detection and Control in a Multistage Compressor

Active closed loop flow control was successfully demonstrated on a full annulus of stator vanes in a low speed axial compressor. Two independent methods of detecting separated flow conditions on the vane suction surface were developed. The first technique detects changes in static pressure along the vane suction surface, while the second method monitors variation in the potential field of the downstream rotor. Both methods may feasibly be used in future engines employing embedded flow control technology. In response to the detection of separated conditions, injection along the suction surface of each vane was used. Injected mass flow on the suction surface of stator vanes is known to reduce separation and the resulting limitation on static pressure rise due to lowered diffusion in the vane passage. A control algorithm was developed which provided a proportional response of the injected mass flow to the degree of separation, thereby minimizing the performance penalty on the compressor system.

Bright, Michelle M.↗

NASA NTRS2007

Interannual and Decadal Variability of Ocean Surface Latent Heat Flux as Seen from Passive Microwave Satellite Algorithms

Ocean surface turbulent fluxes are critical links in the climate system since they mediate energy exchange between the two fluid systems (ocean and atmosphere) whose combined heat transport determines the basic character of Earth's climate. Deriving physically-based latent and sensible heat fluxes from satellite is dependent on inferences of near surface moisture and temperature from coarser layer retrievals or satellite radiances. Uncertainties in these "retrievals" propagate through bulk aerodynamic algorithms, interacting as well with error properties of surface wind speed, also provided by satellite. By systematically evaluating an array of passive microwave satellite algorithms, the SEAFLUX project is providing improved understanding of these errors and finding pathways for reducing or eliminating them. In this study we focus on evaluating the interannual variability of several passive microwave-based estimates of latent heat flux starting from monthly mean gridded data. The algorithms considered range from those based essentially on SSM/I (e.g. HOAPS) to newer approaches that consider additional moisture information from SSM/T-2 or AMSU-B and lower tropospheric temperature data from AMSU-A. On interannual scales, variability arising from ENSO events and time-lagged responses of ocean turbulent and radiative fluxes in other ocean basins (as well as the extratropical Pacific) is widely recognized, but still not well quantified. Locally, these flux anomalies are of order 10-20 W/sq m and present a relevant "target" with which to verify algorithm performance in a climate context. On decadal time scales there is some evidence from reanalyses and remotely-sensed fluxes alike that tropical ocean-averaged latent heat fluxes have increased 5-10 W/sq m since the early 1990s. However, significant uncertainty surrounds this estimate. Our work addresses the origin of these uncertainties and provides statistics on time series of tropical ocean averages, regional space / time correlation analysis, and separation of contributions by variations in wind and near surface humidity deficit. Comparison to variations in reanalysis data sets is also provided for reference.

Robertson, Franklin R.↗