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DOE OSTI2021

Timely Reporting of Heavy Hitters Using External Memory

Given an input stream S of size N, a Φ-heavy hitter is an item that occurs at least ΦN times in S. The problem of finding heavy-hitters is extensively studied in the database literature. In this work, we study a real-time heavy-hitters variant in which an element must be reported shortly after we see its T = Φ N-th occurrence (and hence it becomes a heavy hitter). We call this the Timely Event Detection (TED) Problem. The TED problem models the needs of many real-world monitoring systems, which demand accurate (i.e., no false negatives) and timely reporting of all events from large, high-speed streams with a low reporting threshold (high sensitivity). Like the classic heavy-hitters problem, solving the TED problem without false-positives requires large space (Ω (N) words). Thus in-RAM heavy-hitters algorithms typically sacrifice accuracy (i.e., allow false positives), sensitivity, or timeliness (i.e., use multiple passes). We show how to adapt heavy-hitters algorithms to external memory to solve the TED problem on large high-speed streams while guaranteeing accuracy, sensitivity, and timeliness. Our data structures are limited only by I/O-bandwidth (not latency) and support a tunable tradeoff between reporting delay and I/O overhead. With a small bounded reporting delay, our algorithms incur only a logarithmic I/O overhead. We implement and validate our data structures empirically using the Firehose streaming benchmark. Multi-threaded versions of our structures can scale to process 11M observations per second before becoming CPU bound. In comparison, a naive adaptation of the standard heavy-hitters algorithm to external memory would be limited by the storage device’s random I/O throughput, i.e., ≈100K observations per second.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Design, Selection, and Evaluation of Reinforcement Learning Single Agents for Ground Target Tracking

Previous approaches for small fixed-wing unmanned air systems that carry strapdown rather than gimbaled cameras achieved satisfactory ground target tracking performance using both standard and deep reinforcement learning algorithms. However, these approaches have significant restrictions and abstractions to the dynamics of the vehicle, such as constant airspeed and constant altitude, because the number of states and actions was necessarily limited. Thus, extensive tuning was required to obtain good tracking performance. The expansion from 4 state–action degrees of freedom to 15 enabled the agent to exploit previous reward functions that produced novel yet undesirable emergent behavior. This paper investigates the causes of and various potential solutions to undesirable emergent behavior in the ground target tracking problem. A combination of changes to the environment, reward structure, action space simplification, command rate, and controller implementation provides insight into obtaining stable tracking results. Consideration is given to reward structure selection and refinement to mitigate undesirable emergent behavior. Results presented in the paper for a simulated environment of a single unmanned air system tracking a randomly moving single ground target show that a soft actor–critic algorithm can produce feasible tracking trajectories without limiting the state space and action space, provided that the environment is properly posed.

Engineering↗

DOE OSTI2022

The Global LAnd Surface Satellite (GLASS) evapotranspiration product Version 5.0: Algorithm development and preliminary validation

An accurate estimation of spatially and temporally continuous global terrestrial evapotranspiration (ET) is essential in the assessment of surface energy, water and carbon cycles. The Global LAnd Surface Satellite (GLASS) ET product Version 4.0 (v4.0) based on the Bayesian model averaging (BMA) method was generated to estimate global terrestrial ET. However, certain uncertainty for the GLASS ET product v4.0 limits its application. In this study, we introduced the deep neural networks (DNN) merging framework to improve terrestrial ET estimation for GLASS ET product Version 5.0 (v5.0) generation by integrating five satellite-derived ET products [Moderate Resolution Imaging Spectroradiometer (MODIS) ET product (MOD16), Shuttleworth–Wallace dual-source ET product (SW), Priestley–Taylor-based ET product (PT-JPL), modified satellite-based Priestley–Taylor ET product (MS-PT) and simple hybrid ET product (SIM)]. We compared the performance of DNN method against other merging methods, including GLASS ET algorithm v4.0 (BMA), the gradient boosting regression tree (GBRT) method and the random forest (RF) method, based on 195 global eddy covariance (EC) flux towers covering observations from 2000 through 2015. Validations indicated that the DNN had the highest accuracy among four merging methods across different land cover types, yielding the highest average determination coefficients (R 2 , 0.62), root-mean-squared-error (RMSE, 24.1 W/m 2 ) and Kling–Gupta efficiency (KGE, 0.77) with a of 99% confidence interval. Compared with GLASS ET algorithm v4.0, the DNN improved on the R 2 by approximately 7% (p < 0.01) and the KGE by 10%. Based on the DNN, we then generated 8-day GLASS ET product v5.0 globally with a 1 km spatial resolution from 2001 to 2015 driven by GLASS vegetation and surface net radiation (R n ) datasets and Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA2) datasets. Finally, this global terrestrial ET product provides a valuable dataset for monitoring regional and global water resources and environmental changes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Posiform planting: generating QUBO instances for benchmarking

We are interested in benchmarking both quantum annealing and classical algorithms for minimizing quadratic unconstrained binary optimization (QUBO) problems. Such problems are NP-hard in general, implying that the exact minima of randomly generated instances are hard to find and thus typically unknown. While brute forcing smaller instances is possible, such instances are typically not interesting due to being too easy for both quantum and classical algorithms. In this contribution, we propose a novel method, called posiform planting , for generating random QUBO instances of arbitrary size with known optimal solutions, and use those instances to benchmark the sampling quality of four D-Wave quantum annealers utilizing different interconnection structures (Chimera, Pegasus, and Zephyr hardware graphs) and the simulated annealing algorithm. Posiform planting differs from many existing methods in two key ways. It ensures the uniqueness of the planted optimal solution, thus avoiding groundstate degeneracy, and it enables the generation of QUBOs that are tailored to a given hardware connectivity structure, provided that the connectivity is not too sparse. Posiform planted QUBOs are a type of 2-SAT boolean satisfiability combinatorial optimization problems. Our experiments demonstrate the capability of the D-Wave quantum annealers to sample the optimal planted solution of combinatorial optimization problems with up to 5, 627 qubits.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

On-board autonomous attitude maneuver planning for planetary spacecraft using genetic algorithms

A key enabling technology that leads to greater spacecraft autonomy is the capability to autonomously and optimally slew the spacecraft from and to different attitudes while operating under a number of celestial and dynamic constraints. The task of finding an attitude trajectory that meets all the constraints is a formidable one, in particular for orbiting or fly-by spacecraft where the constraints and initial and final conditions are of time-varying nature. This paper presents an approach for attitude path planning that makes full use of a priori constraint knowledge and is computationally tractable enough to be executed on-board a spacecraft. The approach is based on incorporating the constraints into a cost function and using a Genetic Algorithm to iteratively search for and optimize the solution. This results in a directed random search that explores a large part of the solution space while maintaining the knowledge of good solutions from iteration to iteration. A solution obtained this way may be used 'as is' or as an initial solution to initialize additional deterministic optimization algorithms. A number of example simulations are presented including the case examples of a generic Europa Orbiter spacecraft in cruise as well as in orbit around Europa. The search times are typically on the order of minutes, thus demonstrating the viability of the presented approach. The results are applicable to all future deep space missions where greater spacecraft autonomy is required. In addition, onboard autonomous attitude planning greatly facilitates navigation and science observation planning, benefiting thus all missions to planet Earth as well.

genetic algorithm↗

NASA NTRS2004

Spacecraft Attitude Maneuver Planning Using Genetic Algorithms

A key enabling technology that leads to greater spacecraft autonomy is the capability to autonomously and optimally slew the spacecraft from and to different attitudes while operating under a number of celestial and dynamic constraints. The task of finding an attitude trajectory that meets all the constraints is a formidable one, in particular for orbiting or fly-by spacecraft where the constraints and initial and final conditions are of time-varying nature. This approach for attitude path planning makes full use of a priori constraint knowledge and is computationally tractable enough to be executed onboard a spacecraft. The approach is based on incorporating the constraints into a cost function and using a Genetic Algorithm to iteratively search for and optimize the solution. This results in a directed random search that explores a large part of the solution space while maintaining the knowledge of good solutions from iteration to iteration. A solution obtained this way may be used as is or as an initial solution to initialize additional deterministic optimization algorithms. A number of representative case examples for time-fixed and time-varying conditions yielded search times that are typically on the order of minutes, thus demonstrating the viability of this method. This approach is applicable to all deep space and planet Earth missions requiring greater spacecraft autonomy, and greatly facilitates navigation and science observation planning.

Kornfeld, Richard P.↗

NASA NTRS2017

A Trilateration Scheme for Relative Positioning

We introduce a trilateration scheme that evaluates the 3-dimensional (3-D) relative position between a reference spacecraft and a target spacecraft using raw-range measurements from a distance baseline of known locations, which we call “anchors”. The anchors can be antennas of a ground-based network (e.g., Deep Space Network (DSN) or Near Earth Network (NEN) stations), or satellites of a spacebased network (e.g., global positioning system (GPS) or tracking and data relay satellite (TDRS)). We define raw-range as the range that includes all the systematic errors that occur during range measurements. A unique feature of this approach is that accurate relative position is derived from a “differencing function” of raw-range measurements of the reference spacecraft and target spacecraft, thereby eliminating most of the systematic errors, such as media effects, ephemeris errors, instrument delays, clock bias, etc. There can be an arbitrary number of target spacecraft, and relative positioning of target spacecraft with respect to the reference spacecraft can be done simultaneously. In this paper, we first assume an idealized system in which clocks on the reference and target spacecraft are synchronized, with clocks of the anchors synchronized as well. We develop a novel iterative algorithm that computes the relative position of the target spacecraft with respect to the reference spacecraft. We illustrate the relative positioning method using the scenario of a network of three ground stations (i.e., the anchors) at Goldstone, California, USA, Madrid, Spain, and Marlargue, Argentina tracking two spacecraft at geosynchronous orbit distance. We demonstrate that the algorithm converges to submeter accuracy in estimating the relative position, in the presence of random errors and systematic errors in raw-range measurements, and in the presence of angular errors in estimating the pointing vectors between the anchors and the reference spacecraft. Next, we relax the requirement of perfect time synchronization between spacecraft, and show that by using an additional anchor, one can estimate and remove the clock biases between the reference and target spacecraft. We add a ground station at Kourou to the above example of three ground stations of Goldstone, Madrid, and Marlargue, and demonstrate that the updated algorithm also converges to meter-level accuracy (submeter in some cases) in the presence of clock biases in addition to the random errors, systematic errors, and angular errors as shown in the above case. We compare this scheme with a similar trilateration scheme for relative positioning scheme first proposed by Montenbruck in 2002.

Cheung, Kar-Ming↗

DOE OSTI2022

Data-driven Minimum Entropy Control for Stochastic Nonlinear Systems using the Cumulant-Generating Function

Here, we present a novel minimum entropy control algorithm for a class of stochastic nonlinear systems subjected to non-Gaussian noises. The entropy control can be considered as an optimization problem for the system randomness attenuation, but the mean value has to be considered separately. To overcome this disadvantage, a new representation of the system stochastic properties was given using the cumulant-generating function based on the moment-generating function, in which the mean value and the entropy was reflected by the shape of the cumulant-generating function. Based on the samples of the system output and control input, a time-variant linear model was identified, and the minimum entropy optimization was transformed to system stabilization. Then, an optimal control strategy was developed to achieve the randomness attenuation, and the boundedness of the controlled system output was analyzed. The effectiveness of the presented control algorithm was demonstrated by a numerical example. In this paper, a data-driven minimum entropy design is presented without pre-knowledge of the system model; entropy optimization is achieved by the system stabilization approach in which the stochastic distribution control and minimum entropy are unified using the same identified structure; and a potential framework is obtained since all the existing system stabilization methods can be adopted to achieve the minimum entropy objective.

42 ENGINEERING↗

NASA NTRS2018

Evaluation of Opportunistic Contact Graph Routing in Random Mobility Environments

Routing in networks where nodes move randomly is particularly challenging due their potentially unpredictable, and rapidly changing topology. Several routing algorithms have been presented in the literature to address the needs of such networks, most of them implementing variants of controlled network ﬂooding in the hope of successful data delivery. In this note, we compare the results of previous routing algorithms with Opportunistic Contact Graph Routing (OCGR), an enhanced version of Contact Graph Routing (CGR) that is suitable for networks where contacts cannot always be scheduled ahead of time. To perform the benchmark, we simulate a network of nodes moving in a certain space according to the Random Waypoint Mobility Model, and then take measurements of bundle delivery probabilty and overhead ratio as metrics of performance and cost respectively. Through this exercise, we demonstrate that the performance of OCGR is highly dependent on the type of network under consideration (e.g. very sparse vs. densely connected) and the assumed mobility model.

Burleigh, Scott↗

NASA NTRS2004

Global Precipitation Measurement (GPM) Ground Validation: Plans and Preparations

The Global Precipitation Measurement (GPM) program is an international partnership led by the National Aeronautics and Space Administration (NASA) and the Japan Aerospace Exploration Agency (JAXA). GPM will improve climate, weather, and hydro-meteorological forecasts through more frequent and more accurate measurement of precipitation across the globe. This paper describes the concept, the planning, and the preparations for Ground Validation within the GPM program. Ground Validation (GV) plays an important role in the program by investigating and quantitatively assessing the errors within the satellite retrievals. These quantitative estimates of retrieval errors will assist the scientific community by bounding the errors within their research products. The two fundamental requirements of the GPM Ground Validation program are: (1) error characterization of the precipitation retrievals and (2) continual improvement of the satellite retrieval algorithms. These two driving requirements determine the measurements, instrumentation, and location for ground observations. This paper outlines GV plans for estimating the systematic and random components of retrieval error and for characterizing the spatial p d temporal structure of the error and plans for algorithm improvement in which error models are developed and experimentally explored to uncover the physical causes of errors within the retrievals. This paper discusses NASA locations for GV measurements as well as anticipated locations from international GPM partners. NASA's primary locations for validation measurements are an oceanic site at Kwajalein Atoll in the Republic of the Marshall Islands and a continental site in north-central Oklahoma at the U.S. Department of Energy's Atmospheric Radiation Measurement Program site.

Schwaller, M.↗

NASA NTRS1993

A Darwinian approach to control-structure design

Genetic algorithms (GA's), as introduced by Holland (1975), are one form of directed random search. The form of direction is based on Darwin's 'survival of the fittest' theories. GA's are radically different from the more traditional design optimization techniques. GA's work with a coding of the design variables, as opposed to working with the design variables directly. The search is conducted from a population of designs (i.e., from a large number of points in the design space), unlike the traditional algorithms which search from a single design point. The GA requires only objective function information, as opposed to gradient or other auxiliary information. Finally, the GA is based on probabilistic transition rules, as opposed to deterministic rules. These features allow the GA to attack problems with local-global minima, discontinuous design spaces and mixed variable problems, all in a single, consistent framework.

Zimmerman, David C.↗

DOE OSTI2021

Computational catalyst discovery: Active classification through myopic multiscale sampling

We report the recent boom in computational chemistry has enabled several projects aimed at discovering useful materials or catalysts. We acknowledge and address two recurring issues in the field of computational catalyst discovery. First, calculating macro-scale catalyst properties is not straightforward when using ensembles of atomic-scale calculations [e.g., density functional theory (DFT)]. We attempt to address this issue by creating a multi-scale model that estimates bulk catalyst activity using adsorption energy predictions from both DFT and machine learning models. The second issue is that many catalyst discovery efforts seek to optimize catalyst properties, but optimization is an inherently exploitative objective that is in tension with the explorative nature of early-stage discovery projects. In other words, why invest so much time finding a “best” catalyst when it is likely to fail for some other, unforeseen problem? We address this issue by relaxing the catalyst discovery goal into a classification problem: “What is the set of catalysts that is worth testing experimentally?” Here, we present a catalyst discovery method called myopic multiscale sampling, which combines multiscale modeling with automated selection of DFT calculations. It is an active classification strategy that seeks to classify catalysts as “worth investigating” or “not worth investigating” experimentally. Our results show an ~7–16 times speedup in catalyst classification relative to random sampling. These results were based on offline simulations of our algorithm on two different datasets: a larger, synthesized dataset and a smaller, real dataset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Optimizing temperature distributions for training neural quantum states using parallel tempering

Parametrized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and stymied by the presence of local minima in the parameter landscape. One approach to mitigate this issue is to use parallel tempering methods, and in this work, we focus on the role played by the temperature distribution of the parallel tempering replicas. Using an adaptive method that adjusts the temperatures in order to equate the exchange probability between neighboring replicas, we show that this temperature optimization can significantly increase the success rate of the variational algorithm with negligible computational cost by eliminating bottlenecks in the replicas' random walk. Furthermore, we demonstrate this using two different neural networks, a restricted Boltzmann machine and a feedforward network, which we use to study a toy problem based on a permutation invariant Hamiltonian with a pernicious local minimum and the 𝐽 1 −𝐽 2 model on a rectangular lattice.

Neural network simulations↗

DOE OSTI2021

Implementing Arbitrary/Common Concurrent Writes of CRCW PRAM

The Parallel Random Access Machines (PRAM) abstraction is the simplest and most elegant algorithmic model for the design and analysis of parallel algorithms. It consists of different models categorized based on the underlying memory access mode used, the most powerful of which is the Concurrent Read Concurrent Write (CRCW) model. A PRAM algorithm describes a series of rounds, each of which consists of a collection of operations that can be executed concurrently within the same time step. However, the lack of support for concurrent memory accesses and the prevalence of asynchronous programming models led to the belief that implementing CRCW PRAM algorithms is unattainable and prompted many to avoid this model except for theoretical studies of optimal performance.In this work, we study the arbitrary and common concurrent writes in the CRCW PRAM model and explore implementation challenges on general-purpose systems. Moreover, we examine current practices for implementing common/arbitrary concurrent writes and propose a new efficient lightweight and thread-safe method to implement concurrent writes through leveraging atomic instructions. To demonstrate the efficacy of our method, we developed OpenMP kernels for classical CRCW PRAM algorithms and provide experimental results and comparisons based on run time performance measured over the x86 multicore architecture. Our results show a performance speedup compared to current practices up to 4.5x across all our benchmarks.

Ghanim, Fady↗

NASA NTRS1976

Nonparametric probability density estimation by optimization theoretic techniques

Two nonparametric probability density estimators are considered. The first is the kernel estimator. The problem of choosing the kernel scaling factor based solely on a random sample is addressed. An interactive mode is discussed and an algorithm proposed to choose the scaling factor automatically. The second nonparametric probability estimate uses penalty function techniques with the maximum likelihood criterion. A discrete maximum penalized likelihood estimator is proposed and is shown to be consistent in the mean square error. A numerical implementation technique for the discrete solution is discussed and examples displayed. An extensive simulation study compares the integrated mean square error of the discrete and kernel estimators. The robustness of the discrete estimator is demonstrated graphically.

Scott, D. W.↗

NASA NTRS1980

DIAL with heterodyne detection including speckle noise: Aircraft/shuttle measurements of O3, H2O, and NH3 with pulsed tunable CO2 lasers

Atmospheric trace constituent measurements with higher vertical resolution than attainable with passive radiometers are discussed. Infrared differential absorption lidar (DIAL), which depends on Mie scattering from aerosols, has special advantages for tropospheric and lower stratospheric applications and has great potential importance for measurements from shuttle and aircraft. Differential absorption lidar data reduction involves comparing large amplitude signals which have small differences. The accuracy of the trace constituent concentration inferred from DIAL measurements depends strongly on the errors in determining the amplitude of the signals. Thus, the commonly used SNR expression (signal divided by noise in the absence of signal) is not adequate to describe DIAL measurement accuracy and must be replaced by an expression which includes the random coherent (speckle) noise within the signal. A comprehensive DIAL computer algorithm is modified to include heterodyne detection and speckle noise. Examples for monitoring vertical distributions of O3, H2O, and NH3 using a ground-, aircraft-, or shuttle-based pulsed tunable CO2 laser DIAL system are given.

Brockman, P.↗

NASA NTRS1982

Yet another method for triangulation and contouring for automated cartography

An algorithm is presented for hierarchical subdivision of a set of three-dimensional surface observations. The data structure used for obtaining the desired triangulation is also singularly appropriate for extracting contours. Some examples are presented, and the results obtained are compared with those given by Delaunay triangulation. The data points selected by the algorithm provide a better approximation to the desired surface than do randomly selected points.

De Floriani, L.↗

NASA NTRS1984

Reliability considerations for the total strain range version of strainrange partitioning

A proposed total strainrange version of strainrange partitioning (SRP) to enhance the manner in which SRP is applied to life prediction is considered with emphasis on how advanced reliability technology can be applied to perform risk analysis and to derive safety check expressions. Uncertainties existing in the design factors associated with life prediction of a component which experiences the combined effects of creep and fatigue can be identified. Examples illustrate how reliability analyses of such a component can be performed when all design factors in the SRP model are random variables reflecting these uncertainties. The Rackwitz-Fiessler and Wu algorithms are used and estimates of the safety index and the probablity of failure are demonstrated for a SRP problem. Methods of analysis of creep-fatigue data with emphasis on procedures for producing synoptic statistics are presented. An attempt to demonstrate the importance of the contribution of the uncertainties associated with small sample sizes (fatique data) to risk estimates is discussed. The procedure for deriving a safety check expression for possible use in a design criteria document is presented.

Wirsching, P. H.↗