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At least 883 records · Page 49

All sources NASA NTRS DOE OSTI

DOE OSTI2020

A Nonlocal-Gradient Descent Method for Inverse Design in Nanophotonics

Local-gradient-based optimization approaches lack nonlocal exploration abilityrequired for escaping from local minima when searching non-convex landscapes.A directional Gaussian smoothing (DGS) approach was recently proposed in [29]and used to define a truly nonlocal gradient, referred to as the DGS gradient, inorder to enable nonlocal exploration in high-dimensional black-box optimization.Promising results show that replacing the traditional local gradient with the nonlocalDGS gradient can significantly improve the performance of gradient-based methodsin optimizing highly multi-modal loss functions. However, the current DGS methodis designed for unbounded and uncontrained optimization problems, making itinapplicable to real-world engineering optimization problems where the tuningparameters are often bounded and the loss function is usually constrained byphysical processes. In this work, we propose to extend to the DGS approachto the constrained inverse design framework in order to find better optima ofmulti-modal loss functions. A series of adaptive strategies for smoothing radiusand learning rate updating are developed to improve the computational efficiencyand robustness. Our methodology is demonstrated by an example of designing ananoscale wavelength demultiplexer, and shows superior performance compared tothe state-of-the-art approaches. By incorporating volume constraints, the optimizeddesign achieves an equivalently high performance but significantly reduces theamount of material usage.

Bi, Sirui↗

NASA NTRS1988

Effect of earth albedo variation on the performance of a spatial acquisition subsystem aboard a planetary spacecraft

The effect of Earth albedo variation on the pointing and tracking subsystem of a planetary optical communication package is analyzed. By studying the Cramer-Rao bound of the tracking error variance, it is shown that, when the Earth albedo is precisely known, the variance in spatial tracking error is inversely proportional to the total signal count. In contrast, a small uncertainty in the Earth albedo can result in an irreducible error in the tracking subsystem.

Chen, C.-C.↗

DOE OSTI2022

Bayesian Framework for Multi-Timescale State Estimation in Low-Observable Distribution Systems

To support the smart grid paradigm, there has been a significant increase in sensor deployments and metering infrastructure in distribution systems. However, the measurements provided by these sensors and metering devices are typically sampled at different rates and could suffer from losses during the aggregation process. It is crucial to effectively reconcile the time-series measurements for a reliable state estimation. While weighted least squares has been the traditional approach for state estimation, sparsity-based approaches like matrix completion have become popular due to their superior performance in low-observability conditions. This paper proposes a Bayesian framework for both multi-timescale data aggregation and matrix completion based state estimation. Specifically, the multiscale time-series data aggregated from heterogenous sources are reconciled using a multitask Gaussian process that exploits the spatio-temporal correlations. Here, the resulting consistent timeseries alongwith the confidence bound on the imputations are fed into a Bayesian matrix completion method augmented with linearized power-flow constraints to accurately estimate the states in low-observability conditions. Results on three phase unbalanced IEEE 37 and IEEE 123 bus test systems reveal the superior performance of the proposed Bayesian framework. The computational complexity for the proposed Bayesian framework is also quantified.

42 ENGINEERING↗

NASA NTRS1994

A Numerical Comparison of Barrier and Modified Barrier Methods for Large-Scale Bound-Constrained Optimization

When a classical barrier method is applied to the solution of a nonlinear programming problem with inequality constraints, the Hessian matrix of the barrier function becomes increasingly ill-conditioned as the solution is approached. As a result, it may be desirable to consider alternative numerical algorithms. We compare the performance of two methods motivated by barrier functions. The first is a stabilized form of the classical barrier method, where a numerically stable approximation to the Newton direction is used when the barrier parameter is small. The second is a modified barrier method where a barrier function is applied to a shifted form of the problem, and the resulting barrier terms are scaled by estimates of the optimal Lagrange multipliers. The condition number of the Hessian matrix of the resulting modified barrier function remains bounded as the solution to the constrained optimization problem is approached. Both of these techniques can be used in the context of a truncated-Newton method, and hence can be applied to large problems, as well as on parallel computers. In this paper, both techniques are applied to problems with bound constraints and we compare their practical behavior.

Nash, Stephen G.↗

DOE OSTI2025

FedCSpc: A Cross-Silo Federated Learning System With Error-Bounded Lossy Parameter Compression

Cross-Silo federated learning is widely used for scaling deep neural network (DNN) training over data silos from different locations worldwide while guaranteeing data privacy. Communication has been identified as the main bottleneck when training large-scale models due to large-volume model parameters and gradient transmission across public networks with limited bandwidth. Most previous works focus on gradient compression, while limited work tries to compress parameters that can not be ignored and extremely affect communication performance during the training. Here, to bridge this gap, we propose FedCSpc: an efficient cross-silo federated learning system with an XAI-driven adaptive parameter compression strategy for large-scale model training. Our work substantially differs from existing gradient compression techniques due to the distinct data features of gradient and parameter. The key contributions of this paper are fourfold. (1) Our designed FedCSpc proposes to compress the parameter during the training using the state-of-the-art error-bounded lossy compressor – SZ3. (2) We develop an adaptive compression error bound adjustment algorithm to guarantee the model accuracy effectively. (3) We exploit an efficient approach to utilize the idle CPU resources of clients to compress the parameters. (4) We perform a comprehensive evaluation with a wide range of models and benchmarks on a GPU cluster with 65 GPUs. Results show that FedCSpc can achieve the same model accuracy as FedAvg while reducing the data volume of parameters and gradients in communication by up to 7.39× and 288×, respectively. With 32 clients on a 4 Gb size model, FedCSpc significantly outperforms FedAvg in wall-clock time in the emulated WAN environment (at the bandwidth of 1 Gbps or lower without loss of generality).

SZ3↗

DOE OSTI2025

Electroplated Polymer‐Modified Carbon Fiber for Performance‐Enhancing Composite Interfaces

Carbon fiber composite performance relies on the fiber-matrix interface for effective load transfer. To enhance interfacial properties between the fiber and matrix, often carbon fiber surfaces are oxidatively and covalently modified to incorporate chemical functional groups. By contrast, here, noncovalent electrodeposition of functional polyelectrolyte is applied onto conducting carbon fibers from aqueous solutions. A natural polymer, chitosan (CS), is electro-deposited onto the fiber surface, which undergoes multi-scale physical interactions. The bound CS layer with abundant amine functionalities reacts with epoxy moieties within the matrix to improve the interfacial properties. The scalable and energy-efficient electrodeposition eliminates traditional functionalization and sizing requirements of carbon fiber while delivering significantly higher mechanical performance with enhanced consistency. For continuous fiber reinforced composites, compared to conventional fibers, apparent interlaminar shear strength increases by 27%, reaching ≈86 MPa. The short fiber composites with only 2–11 wt.% fibers exhibit ≈20% increase in tensile strength with a peak performance of 120 MPa. Unlike traditionally treated and sized carbon fiber, this approach delivers coated fibers with long shelf-life and allows recovery of both CS in electrolyte form and carbon fiber by continuous electrochemical processing of the modified fibers with inverse polarity; thus, it promotes overall fiber recyclability.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Performing Mineral Hydration Experiments in the CheMin Diffractometer on Mars

Laboratory work is the cornerstone of experimental planetary geochemistry, mineralogy, and petrology, but much is to be gained by "experiments" while on a planet surface. Earth-bound experiments are often limited in ability to control multiple conditions relevant to planetary bodies (e.g. cycles in temperature and vapor pressure of water), but observations on-planet provide a unique opportunity where conditions are native to the planet and those affected by sampling and analysis can be constrained. The CheMin XRD instrument on Mars Science Laboratory has been able to test mineral hydration in samples held for up to 300 Mars days (sols). Clay minerals sampled at Yellowknife Bay early in the mission had both collapsed (10 Å) and expanded (13.2 Å) basal spacing. Collapsed interlayers were expected, but larger spacing was not; it was uncertain whether larger basal spacing would collapse on prolonged exposure to warmer conditions inside CheMin. Observation over several hundred sols showed no collapse, with the conclusion that expanded interlayer spacing was due to partial intercalation by metal-hydroxyl groups that resist dehydration. More recently, a sample of the Murray Formation, Oudam, provided the first XRD detection of gypsum and a chance to observe gypsum stability. Laboratory work suggests gypsum should be stable at Mars surface conditions, and indeed gypsum has been observed from orbit at higher latitudes and in thick veins at Yellowknife Bay by Mastcam reflectance spectra. Laboratory experiments have shown that on dehydration the gypsum would not become X-ray amorphous but would rather transform to a water-deficient bassanite structure. Over a period of 37 sols, it was observed that the Oudam sample in CheMin transformed from an assemblage of gypsum+anhydrite, to gypsum+bassanite+anhydrite, and finally to bassanite+anhydrite. Mg-sulfates were also anticipated but have not been observed in CheMin despite chemical evidence for their presence. Unlike gypsum, hydrated Mg-sulfates can transition to an X-ray amorphous form. Crystalline Mg-sulfates are expected higher in the section on Mount Sharp, where it should be possible to determine whether they persist or are destabilized after sampling, providing further insight into hydrous mineral stability at Mars near-equatorial conditions.

Vaniman, D. T.↗

DOE OSTI2021

Supernova Muons: New Constraints on Z' Bosons, Axions and ALPs

New light particles produced in supernovae can lead to additional energy loss and a consequent deficit in neutrino production in conflict with the neutrinos observed from Supernova 1987A (SN1987A). Contrary to the majority of previous SN1987A studies, we examine the impact of Z' bosons, axions, and axion-like particles (ALPs) interacting with the muons produced in SN1987A. For the first time, we find constraints on generic Z' bosons coupled to muons, and apply our results to particle models including gauged $L_μ –L_τ$ number, U(1)$_{L_μ–L_τ}$, and gauged B – L number, U(1)$_{B–L}$. We constrain Z' bosons with masses up to about 250 – 500 MeV, and down to about 10 –9 in Z'-muon coupling. We also extend previous work on axion-muon couplings by examining the importance of loop-level interactions, as well as performing calculations over a wider range of axion masses. We constrain muon-coupled axions from arbitrarily low masses up to about 200 – 500 MeV, with bounds extending down to axion-muon couplings of approximately 10 –8 GeV –1 . We conclude that supernovae broadly provide a sensitive probe of new lightly-coupled particles interacting with muons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Chloride, Alkoxide, or Silicon: The Bridging Ligand Dictates the Spin State in Dicobalt Expanded Pincer Complexes

We report the synthesis and characterization of a series of high- and low-spin dicobalt complexes of the tBu PNNP expanded pincer ligand. Reacting this dinucleating ligand in its neutral form with two equiv of CoCl 2 (tetrahydrofuran) 1.5 yields a high-spin dicobalt complex featuring one Co inside and one Co outside of the dinucleating pocket. Performing the same reaction in the presence of two equivalents of KOtBu provides access to a high-spin dicobalt complex wherein both Co centers are bound within the PNNP pocket, and this complex also features a bridging OtBu ligand. Reacting either of the high-spin complexes with excess diethyl silane affords a low-spin dicobalt complex containing two unusual bridging Si-based ligands. These complexes were investigated using NMR spectroscopy, XAS, single crystal X-ray structure determination, and computational methods, showing that the Si-based ligands are best described as base-stabilized silylenes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Predicting the von Neumann entanglement entropy using a graph neural network

Calculating the von Neumann entanglement entropy from experimental data is challenging due to its dependence on the complete wavefunction, forcing reliance on approximations such as classical mutual information (MI). We propose a machine learning approach using a graph neural network to predict the von Neumann entropy directly from experimentally accessible bitstrings. We test this approach on a Rydberg ladder system and achieve a mean absolute error of $3.6\,\times 10^{-3}$ when evaluating within the training range on a dataset with entropy values ranging from 0 to 1.9. The model achieves a mean absolute percentage error of 1.44% and outperforms MI-based bounds. When tested beyond the training range, the model maintains reasonable accuracy. Furthermore, we demonstrate that fine-tuning the model with small datasets significantly improves performance on data outside the original training range.

graph neural networks↗

DOE OSTI2021

Orbital Conflict: Cutting Planes for Symmetric Integer Programs

Cutting planes have been an important factor in the impressive progress made by integer programming (IP) solvers in the past two decades. However, cutting planes have had little impact on improving performance for symmetric IPs. Rather, the main breakthroughs for solving symmetric IPs have been achieved by cleverly exploiting symmetry in the enumeration phase of branch and bound. In this work, we introduce a hierarchy of cutting planes that arise from a reinterpretation of symmetry-exploiting branching methods. There are too many inequalities in the hierarchy to be used efficiently in a direct manner. However, the lowest levels of this cutting-plane hierarchy can be implicitly exploited by enhancing the conflict graph of the integer programming instance and by generating inequalities such as clique cuts valid for the stable set relaxation of the instance. We provide computational evidence that the resulting symmetry-powered clique cuts can improve state-of-the-art symmetry-exploiting methods. Furthermore, the inequalities are then employed in a two-phase approach with high-throughput computations to solve heretofore unsolved symmetric integer programs arising from covering designs, establishing for the first time the covering radii of two binary-ternary codes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Evaluating Space Object Conjunction Probabilities Using Characteristic Function Inversion

This report discusses an approach to computing the probability of a conjunction between two space objects in the short-term encounter scenario. A conjunction is defined here as an event where the miss distance between the objects is less than some specified value. The scenario assumptions are that the motion of the objects is linear, their positions are Gaussian distributed, and their velocities are known and constant. Under these assumptions, the squared-miss distance is shown to have the generalized chi-square distribution. An established statistical technique called characteristic function inversion is employed to evaluate the distribution and obtain conjunction probabilities. The method is closely related to a recent approach based on moment generating function inversion, and a qualitative comparison of the approaches is provided. Last, the method is tested on several benchmark test cases where it agrees with numerical integration on the cases with conjunction probabilities above 10 –12 . However, the exact probability in these cases is usually not needed and this probability can be bounded above using an independent Gaussian approximation. Overall, the report shows how to compute conjunction probabilities using a standard statistical method, though numerical integration seems to perform equally well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Recent Advances of PyROS: A Pyomo Solver for Nonconvex Two-Stage Robust Optimization in Process Systems Engineering

The document presents recent algorithmic and implementation advances of the two-stage robust optimization (RO) solver PyROS, and a benchmarking study which demonstrates the utility of PyROS for two-stage RO problems. The advances include extensions of the scope of PyROS to models with uncertain variable bounds, improvements to the initializations of the subproblems used by the underlying cutting set algorithm, and extensions of the uncertainty set interfaces. The benchmarking study is performed on a library of over 8,500 instances, with variations in the nonlinearities, degree-of-freedom partitioning, uncertainty sets, and polynomial decision rule approximations. An amine-based CO2 capture case study is presented to demonstrate the utility of PyROS for large-scale process models. Overall, the results highlight the effectiveness of PyROS for obtaining robust solutions to optimization problems with uncertain equality constraints.

Sherman, Jason↗

NASA NTRS1981

Developing new architectures for the Block 2 VLBI correlator system

The overall LSI (large-scale integrated circuits) architecture design and current status of the VBLI (very long baseline interferometry) block 2 correlator is addressed. The VBLI correlator algorithms demand a computing system that provides a throughput of hundreds of millions of instructions per second to perform cross-correlation detection for six baselines. The LSI technology lights the way for the computation of complex parallel process and is raising the upper bound of computerization.

Peterson, J. C.↗

NASA NTRS1992

Crystal ball gazing

Over the last seven years, the CPU on my desk has increased speed by two orders of magnitude, from around 1 MIP to more than 100 MIPS; more important is that it is about as fast as any uniprocessor of any type available for any price, for compute bound problems. Memory on the system is also about 100 times as big, while disk is only about 10 times as big. Local network and I/O performance have increased greatly, though not quite at the same rate as processor speed. More important, I will argue, is that the CPU's address space is 64 bits, rather than 32 bits, allowing us to rethink some time honored presumptions. The Internet has gone from a few hundred machines to a million, and now have grown to span the entire globe, and wide area networks have now becoming commercial services. 'PC's' are now real computers, bringing what was top of the line computing capability to the masses only a few years behind the leading edge. So even a year or two from now, we can anticipate commonplace desktop machines running at speeds hundreds of MIPS, with main memories in the hundreds of megabytes to a gigabyte, able to draw millions of vectors/second, and all capable of some reasonable 3D graphics. And only a few years later, this will be the $1500 PC. So the 1990's certainly brings: 64 bit processors becoming standard; BIP/BFLOP class uniprocessors; large scale multiprocessors for special purpose applications; I/O as the most significant computer engineering problem; Hierarchical data servers in everyday use; routine access to archived data around the world; and what else? What do systems such as those we will have this decade imply to those building data analysis systems today? Many of the presumptions of the 1970's and 1980's need to be reexamined in the light of 1990's technology.

Gettys, Jim↗

NASA NTRS1998

Thermal State-of-Charge in Solar Heat Receivers

A theoretical framework is developed to determine the so-called thermal state-of-charge (SOC) in solar heat receivers employing encapsulated phase change materials (PCMS) that undergo cyclic melting and freezing. The present problem is relevant to space solar dynamic power systems that would typically operate in low-Earth-orbit (LEO). The solar heat receiver is integrated into a closed-cycle Brayton engine that produces electric power during sunlight and eclipse periods of the orbit cycle. The concepts of available power and virtual source temperature, both on a finite-time basis, are used as the basis for determining the SOC. Analytic expressions for the available power crossing the aperture plane of the receiver, available power stored in the receiver, and available power delivered to the working fluid are derived, all of which are related to the SOC through measurable parameters. Lower and upper bounds on the SOC are proposed in order to delineate absolute limiting cases for a range of input parameters (orbital, geometric, etc.). SOC characterization is also performed in the subcooled, two-phase, and superheat regimes. Finally, a previously-developed physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) system is used in order to predict the SOC as a function of measurable parameters.

Hall, Carsie A., Jr.↗

NASA NTRS1998

Thermal State-of-Charge in Solar Heat Receivers

Hall, Carsie, A., III↗

NASA NTRS2011

Benefits of Power and Propulsion Technology for a Piloted Electric Vehicle to an Asteroid

NASA's goal for human spaceflight is to expand permanent human presence beyond low Earth orbit (LEO). NASA is identifying potential missions and technologies needed to achieve this goal. Mission options include crewed destinations to LEO and the International Space Station; high Earth orbit and geosynchronous orbit; cis-lunar space, lunar orbit, and the surface of the Moon; near-Earth objects; and the moons of Mars, Mars orbit, and the surface of Mars. NASA generated a series of design reference missions to drive out required functions and capabilities for these destinations, focusing first on a piloted mission to a near-Earth asteroid. One conclusion from this exercise was that a solar electric propulsion stage could reduce mission cost by reducing the required number of heavy lift launches and could increase mission reliability by providing a robust architecture for the long-duration crewed mission. Similarly, solar electric vehicles were identified as critical for missions to Mars, including orbiting Mars, landing on its surface, and visiting its moons. This paper describes the parameterized assessment of power and propulsion technologies for a piloted solar electric vehicle to a near-Earth asteroid. The objective of the assessment was to determine technology drivers to advance the state of the art of electric propulsion systems for human exploration. Sensitivity analyses on the performance characteristics of the propulsion and power systems were done to determine potential system-level impacts of improved technology. Starting with a "reasonable vehicle configuration" bounded by an assumed launch date, we introduced technology improvements to determine the system-level benefits (if any) that those technologies might provide. The results of this assessment are discussed and recommendations for future work are described.

Mercer, Carolyn R.↗