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DOE OSTI2024

Enabling Scale-Up Through Multi-Fidelity Adaptive Computing

We present ideas from our ongoing work in adaptive computing - an optimization framework that allows us to strategically deploy various fidelity level experiments and simulations to guide decision making. The framework aims to enable uncertainty quantified scale-up of simulations and experiments, which causes increased complexity. A key feature of the framework is the integration of user-specified local model trustworthiness estimates. Adaptive sampling strategies allow us to optimally exploit the multiple fidelity level information and trustworthiness measures to arrive at the best decisions within a highly limited budget of objective function evaluations.

adaptive sampling↗

DOE OSTI2021

Combined plasma–coil optimization algorithms

Combined plasma–coil optimization approaches for designing stellarators are discussed and a new method for calculating free-boundary equilibria for multiregion relaxed magnetohydrodynmics (MRxMHD) is proposed. Four distinct categories of stellarator optimization, two of which are novel approaches, are the fixed-boundary optimization, the generalized fixed-boundary optimization, the quasi-free-boundary optimization, and the free-boundary (coil) optimization. These are described using the MRxMHD energy functional, the Biot–Savart integral, the coil-penalty functional and the virtual casing integral and their derivatives. The proposed free-boundary equilibrium calculation differs from existing methods in how the boundary-value problem is posed, and for the new approach it seems that there is not an associated energy minimization principle because a non-symmetric functional arises. We propose to solve the weak formulation of this problem using a spectral-Galerkin method, and this will reduce the free-boundary equilibrium calculation to something comparable to a fixed-boundary calculation. In our discussion of combined plasma–coil optimization algorithms, we emphasize the importance of the stability matrix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

Utilization of [14C]phenylalanine derived from arylphorin or free amino acid in Manduca sexta pharate adults

The role of arylphorin as a storage protein was studied using 14C-arylphorin. 14C-arylphorin was produced optimally by incubating one-half fat body from Manduca sexta fifth instar larvae at 22 degrees C for 24 h, in 1 ml of medium containing amino acids at 25% of their physiological concentration with [U-14C]-phenylalanine (phe) provided initially without nonlabeled phenylalanine. Nonlabeled phe was provided after 1 h at 16% of its physiological concentration. The specific activity of 14C-arylphorin produced in vitro was 30 times greater than that generated in vivo. Injection of 14C-arylphorin into pharate adults was used to study the distribution of 14C-phe derived from this protein into 14CO2 and tissues for comparison with injection of free 14C-phe during the middle (days 6 to 12 pharate adult) and late (days 12 to 17 pharate adult) stages of adult development. Appearance of 14CO2 from 14C-arylphorin as compared to 14C-phenylalanine showed a slower time course during both the middle and late stages of development, in keeping with the time needed for degradation of the protein. In accord with faster phe turnover near the end of adult development, total 14CO2 production was greater and the retention of 14C in hemolymph and fat body was less compared to the middle stage of development regardless of whether 14C-arylphorin or 14C-phe was injected. In the middle stage of development, the appearance of 14C in the cuticle and head parts was greater, whereas incorporation into abdomen and thorax was less than during the late stage of development. Since the pattern of 14C distribution from 14C-arylphorin and 14C-phe was similar, one major function of arylphorin must be as a storage protein replenishing the supply of free amino acids used for synthesis of adult tissues. These results also suggest a limited contribution of M. sexta arylphorin to formation of the cuticle subsequent to day-6 pharate adult.

Non-NASA Center↗

NASA NTRS1984

The effect of parking orbit constraints on the optimization of ballistic planetary trajectories

The optimization of ballistic planetary trajectories is developed which includes constraints on departure parking orbit inclination and node. This problem is formulated to result in a minimum total Delta V where the entire constrained injection Delta V is included in the optimization. An additional Delta V is also defined to allow for possible optimization of parking orbit inclination when the launch vehicle orbit capability varies as a function of parking orbit inclination. The optimization problem is formulated using primer vector theory to derive partial derivatives of total Delta V with respect to possible free parameters. Minimization of total Delta V is accomplished using a quasi-Newton gradient search routine. The analysis is applied to an Eros rendezvous mission whose transfer trajectories are characterized by high values of launch asymptote declination during particular launch opportunities. Comparisons in performance are made between trajectories where parking orbit constraints are included in the optimization and trajectories where the constraints are not included.

Sauer, C. G., Jr.↗

NASA NTRS2000

Interference Lattice-based Loop Nest Tilings for Stencil Computations

A common method for improving performance of stencil operations on structured multi-dimensional discretization grids is loop tiling. Tile shapes and sizes are usually determined heuristically, based on the size of the primary data cache. We provide a lower bound on the numbers of cache misses that must be incurred by any tiling, and a close achievable bound using a particular tiling based on the grid interference lattice. The latter tiling is used to derive highly efficient loop orderings. The total number of cache misses of a code is the sum of (necessary) cold misses and misses caused by elements being dropped from the cache between successive loads (replacement misses). Maximizing temporal locality is equivalent to minimizing replacement misses. Temporal locality of loop nests implementing stencil operations is optimized by tilings that avoid data conflicts. We divide the loop nest iteration space into conflict-free tiles, derived from the cache miss equation. The tiling involves the definition of the grid interference lattice an equivalence class of grid points whose images in main memory map to the same location in the cache-and the construction of a special basis for the lattice. Conflicts only occur on the boundaries of the tiles, unless the tiles are too thin. We show that the surface area of the tiles is bounded for grids of any dimensionality, and for caches of any associativity, provided the eccentricity of the fundamental parallelepiped (the tile spanned by the basis) of the lattice is bounded. Eccentricity is determined by two factors, aspect ratio and skewness. The aspect ratio of the parallelepiped can be bounded by appropriate array padding. The skewness can be bounded by the choice of a proper basis. Combining these two strategies ensures that pathologically thin tiles are avoided. They do not, however, minimize replacement misses per se. The reason is that tile visitation order influences the number of data conflicts on the tile boundaries. If two adjacent tiles are visited successively, there will be no replacement misses on the shared boundary. The iteration space may be covered with pencils larger than the size of the cache while avoiding data conflicts if the pencils are traversed by a scanning-face method. Replacement misses are incurred only on the boundaries of the pencils, and the number of misses is minimized by maximizing the volume of the scanning face, not the volume of the tile. We present an algorithm for constructing the most efficient scanning face for a given grid and stencil operator. In two dimensions it is based on a continued fraction algorithm. In three dimensions it follows Voronoi's successive minima algorithm. We show experimental results of using the scanning face, and compare with canonical loop orderings.

VanderWijngaart, Rob F.↗

NASA NTRS2013

A Next Generation Air Monitor: Combining Orion and ISS Requirements for a Common Major Constituent Analyzer

The Major Constituent Analyzer (MCA) is a mass spectrometer-based instrument designed to provide critical monitoring of six major atmospheric constituents; nitrogen, oxygen, hydrogen, carbon dioxide, methane, and water vapor on-board the International Space Station. The analyzer has been an integral part of the Environmental Control and Life Support System (ECLSS) since the station went on-line. The Orion Air Monitor (OAM) was derived from the MCA and heavily optimized for reduced mass, lower power, faster water vapor response, and maintenance-free operation. The resulting OAM is approximately the size of the analyzer portion of the MCA, orbital-replacement unit 02 (ORU 02), while incorporating the functions of three other modules: Data Processing and Communication (ORU 01), Verification Gas Assembly (ORU 08), and Low Voltage Power Supply (ORU 04). The overlap in MCA and OAM requirements makes it possible to derive a common Air Monitor design that spans both applications while minimally impacting the weight and power limits imposed by the Multipurpose Crew Vehicle (MPCV). Benefits to ISS include the retirement of ORUs 01, 04, and 08, reducing up-mass and eliminating EEE parts obsolescence issues through the extended ISS mission phases. Benefits to MPCV and future deployed habitats under the Constellation program include greater interchangeability across ECLSS subsystems. This paper discusses the results of the requirements development study, where a superset of ISS and Orion air monitoring requirements were distilled; evaluated against increases in OAM functionality, mass, and power; and traded-off where possible using simple operating mode modifications. A system architecture and preliminary design addressing the common requirements will be presented.

Burchfield, David E.↗

DOE OSTI2025

Absence of Barren Plateaus and Scaling of Gradients in the Energy Optimization of Isometric Tensor Network States

Abstract Vanishing gradients can pose substantial obstacles for high-dimensional optimization problems. Here we consider energy minimization problems for quantum many-body systems with extensive Hamiltonians and finite-range interactions, which can be studied on classical computers or in the form of variational quantum eigensolvers on quantum computers. Barren plateaus correspond to scenarios where the average amplitude of the energy gradient decreases exponentially with increasing system size. This occurs, for example, for quantum neural networks and for brickwall quantum circuits when the depth increases polynomially in the system size. Here we prove that the variational optimization problems for matrix product states, tree tensor networks, and the multiscale entanglement renormalization ansatz are free of barren plateaus. The derived scaling properties for the gradient variance provide an analytical guarantee for the trainability of randomly initialized tensor network states (TNS) and motivate certain initialization schemes. In a suitable representation, unitary tensors that parametrize the TNS are sampled according to the uniform Haar measure. We employ a Riemannian formulation of the gradient based optimizations which simplifies the analytical evaluation.

Barthel, Thomas↗

NASA NTRS2000

Optimal Wonderful Life Utility Functions in Multi-Agent Systems

The mathematics of Collective Intelligence (COINs) is concerned with the design of multi-agent systems so as to optimize an overall global utility function when those systems lack centralized communication and control. Typically in COINs each agent runs a distinct Reinforcement Learning (RL) algorithm, so that much of the design problem reduces to how best to initialize/update each agent's private utility function, as far as the ensuing value of the global utility is concerned. Traditional team game solutions to this problem assign to each agent the global utility as its private utility function. In previous work we used the COIN framework to derive the alternative Wonderful Life Utility (WLU), and experimentally established that having the agents use it induces global utility performance up to orders of magnitude superior to that induced by use of the team game utility. The WLU has a free parameter (the clamping parameter) which we simply set to zero in that previous work. Here we derive the optimal value of the clamping parameter, and demonstrate experimentally that using that optimal value can result in significantly improved performance over that of clamping to zero, over and above the improvement beyond traditional approaches.

Wolpert, David H.↗

DOE OSTI2024

Feedback-based quantum algorithms for ground state preparation

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024

Larsen, James B. (ORCID:000000020777440X)↗

NASA NTRSDate not supplied

Progress on Inverse Estimation Technique of Non-Linear Pitch Damping Coefficient Curves Using Free-Flight CFD Generated Trajectories

Characterization of entry vehicle pitch damping coefficient curves is crucial to ensure appropriate re-entry and overall mission success. The pitch damping coefficient (C_(m_q )+C_(m_α ̇ )) is used to encapsulate the oscillatory growth or decay of a body during a trajectory. The inverse estimation technique utilizes an existing Free-Flight CFD (FF-CFD) dataset and wraps a reconstruction algorithm in an optimizer. The reconstruction integrates the planar equations of motion derived by Schoenenberger, Queen [1] using Python’s scipy.integrate.solve_ivp. The optimizer’s objective function is the normalized 𝐿2 residual of the angle of attack peaks between the reconstructed trajectory and the original data produced with FF-CFD. Inclusion of the peak times in this residual calculation allows for simultaneous optimization of the pitch moment coefficient, C_(m_α ). This residual equation is shown below in Eq. 1. The optimizer scipy.optimize.minimize was used with the gradient-based Powell method for the analysis presented, however the differential evolution method was investigated as means of comparison, and was found to produce marginally lower residual values with prohibitively longer run times. Further, the pitch damping curve is found by fitting a cubic interpolation function to a set of (α, (C_(m_q )+C_(m_α ̇ ))) control points, where the α points are held constant and the (C_(m_q )+C_(m_α ̇ )) values are the optimized parameters. The pitch moment curve uses a linear interpolation between the minimum and maximum α in the dataset. FF-CFD generated trajectories using the Dragonfly capsule geometry with the Genesis ballistic range model parameters were simulated and used for this analysis. These FF-CFD trajectories simulate planar motion, as restricted by the reconstructing the equations of motion, of three different cases: 1-DoF (free-to-pitch), 2-DoF (free-to-pitch and heave), and 3-DoF (free-to-pitch, heave, and decelerate). Pitch damping coefficient curves generated using this inverse estimation curve technique with FF-CFD 1-DoF Dragonfly data are found in Fig. 1. Preliminary results reconstructing ballistic range shots using these FF-CFD derived predictions of the pitch damping curve (Fig. 1) are shown in Fig. 2. It should be noted that the ballistic range shot used a Genesis model whereas the FF-CFD data used a Dragonfly geometry, however these geometries are similar.

entry↗

NASA NTRS1992

Membrane triangles with corner drilling freedoms. II - The ANDES element

This is the second article in a three-part series on the construction of 3-node, 9-dof membrane elements with normal-to-its-plane rotational freedoms (the so-called drilling freedoms) using parametrized variational principles. In this part, one such element is derived within the context of the assumed natural deviatoric strain (ANDES) formulation. The higher-order strains are obtained by constructing three parallel-to-sides pure-bending modes from which natural strains are obtained at the corner points and interpolated over the element. To attain rank sufficiency, an additional higher-order 'torsional' mode, corresponding to equal hierarchical rotations at each corner with all other motions precluded, is incorporated. The resulting formulation has five free parameters. When these parameters are optimized against pure bending by energy balance methods, the resulting element is found to coalesce with the optimal EFF element derived in Part I. Numerical integration as a strain filtering device is found to play a key role in this achievement.

Felippa, Carlos A.↗

NASA NTRS2012

Resolution Enhancement of MODIS-Derived Water Indices for Studying Persistent Flooding

Monitoring coastal marshes for persistent flooding and salinity stress is a high priority issue in Louisiana. Remote sensing can identify environmental variables that can be indicators of marsh habitat conditions, and offer timely and relatively accurate information for aiding wetland vegetation management. Monitoring activity accuracy is often limited by mixed pixels which occur when areas represented by the pixel encompasses more than one cover type. Mixtures of marsh grasses and open water in 250m Moderate Resolution Imaging Spectroradiometer (MODIS) data can impede flood area estimation. Flood mapping of such mixtures requires finer spatial resolution data to better represent the cover type composition within 250m MODIS pixel. Fusion of MODIS and Landsat can improve both spectral and temporal resolution of time series products to resolve rapid changes from forcing mechanisms like hurricane winds and storm surge. For this study, using a method for estimating sub-pixel values from a MODIS time series of a Normalized Difference Water Index (NDWI), using temporal weighting, was implemented to map persistent flooding in Louisiana coastal marshes. Ordinarily NDWI computed from daily 250m MODIS pixels represents a mixture of fragmented marshes and water. Here, sub-pixel NDWI values were derived for MODIS data using Landsat 30-m data. Each MODIS pixel was disaggregated into a mixture of the eight cover types according to the classified image pixels falling inside the MODIS pixel. The Landsat pixel means for each cover type inside a MODIS pixel were computed for the Landsat data preceding the MODIS image in time and for the Landsat data succeeding the MODIS image. The Landsat data were then weighted exponentially according to closeness in date to the MODIS data. The reconstructed MODIS data were produced by summing the product of fractional cover type with estimated NDWI values within each cover type. A new daily time series was produced using both the reconstructed 250-m MODIS, with enhanced features, and the approximated daily 30-m high-resolution image based on Landsat data. The algorithm was developed and tested over the Calcasieu-Sabine Basin, which was heavily inundated by storm surge from Hurricane Ike to study the extent and duration of flooding following the storm. Time series for 2000-2009, covering flooding events by Hurricane Rita in 2005 and Hurricane Ike in 2008, were derived. High resolution images were formed for all days in 2008 between the first cloud free Landsat scene and the last cloud-free Landsat scene. To refine and validate flooding maps, each time series was compared to Louisiana Coastwide Reference Monitoring System (CRMS) station water levels adjusted to marsh to optimize thresholds for MODIS-derived time series of NDWI. Seasonal fluctuations were adjusted by subtracting ten year average NDWI for marshes, excluding the hurricane events. Results from different NDWI indices and a combination of indices were compared. Flooding persistence that was mapped with higher-resolution data showed some improvement over the original MODIS time series estimates. The advantage of this novel technique is that improved mapping of extent and duration of inundation can be provided.

Underwood, L. W.↗

DOE OSTI2021

Optimized finite-build stellarator coils using automatic differentiation

A new stellarator coil design code is introduced that optimizes the position and winding pack orientation of finite-build coils. The new code, called flexible optimized curves in space using automatic differentiation (AD) and finite build (FOCUSADD), performs gradient-based optimization in a high-dimensional, non-convex space. The derivatives with respect to parameters of finite-build coils are easily and efficiently computed using AD. FOCUSADD parametrizes coil positions in free space using a Fourier series and uses a multi-filament approximation to the coil winding pack. The orientation of the winding pack is parametrized with a Fourier series and can be optimized as well. Optimized finite-build coils for a Wendelstein 7-X (W7-X)-like stellarator are found, and compared with filamentary coil results. The final positions of optimized finite-build W7-X-like coils are shifted, on average, by approximately 2.5 mm relative to optimized filamentary coils. These results suggest that finite-build effects should be accounted for in the optimization of stellarators with low coil tolerances.

43 PARTICLE ACCELERATORS↗

NASA NTRS1981

Optimal damper location in the vibration control of large space structures

The problem of finding the optimal location of active dampers for the vibration control of space structures is investigated. The optimal location is where maximum damping can be introduced to a particular vibration mode. To this end, classical root locus techniques are used to study the effect on eigenvalues of placing a damper on an undamped structure. An efficient formulation is derived which avoids the solution of the damped eigenvalue problem. Based on the observation of the results for a free-free beam model, a Minimum Constrained Frequency Criterion (MCFC) for locating the optimal damper location is proposed.

Wang, B. P.↗

NASA NTRS1992

Membrane triangles with corner drilling freedoms. III - Implementation and performance evaluation

This paper completes a three-part series on the formulation of 3-node, 9-dof membrane triangles with corner drilling freedoms based on parametrized variational principles. The first four sections cover element implementation details including determination of optimal parameters and treatment of distributed loads. Then three elements of this type, labeled ALL, FF and EFF-ANDES, are tested on standard plane stress problems. ALL represents numerically integrated versions of Allman's 1988 triangle; FF is based on the free formulation triangle presented by Bergan and Felippa in 1985; and EFF-ANDES represent two different formulations of the optimal triangle derived in Parts I and II. The numerical studies indicate that the ALL, FF and EFF-ANDES elements are comparable in accuracy for elements of unitary aspect ratios. The ALL elements are found to stiffen rapidly in inplane bending for high aspect ratios, whereas the FF and EFF elements maintain accuracy. The EFF and ANDES implementations have a moderate edge in formation speed over the FF.

Felippa, Carlos A.↗

NASA NTRS2019

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.↗

NASA NTRSDate not supplied

Attitude Reconstruction of Free-Flight CFD Generated Trajectories Using Non-Linear Pitch Damping Coefficient Curves

Attitude history reconstruction of Free-flight CFD generated trajectories with non-linear pitch damping coefficient curves is investigated. Free-flight CFD simulations of the capsule shape used for the Genesis sample return mission and the upcoming Dragonfly mission to Titan are conducted for 1-, 2-, and 3-degree-of-freedom cases. Two different data reduction methodologies are employed to derive a pitch damping curve as a function of instantaneous angle of attack. These curves are then used to reconstruct the attitude history of the body which is compared to the raw simulation results. While both data reduction methods produce pitch damping curves that can generally reconstruct the motion seen in the Free-flight simulations, it is found that optimization of the pitch damping curve using an inverse estimation process yields superior and more generalizable results. Further refinement of this technique could allow pitch damping curves derived using CFD to serve as a capability complementary to existing techniques for dynamic stability characterization.

entry↗

NASA NTRSDate not supplied

Attitude Reconstruction of Free-Flight CFD Generated Trajectories Using Non-Linear Pitch Damping Coefficient Curves

entry↗