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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

M-MRAC for SPHERES

This paper presents application of the modified reference model MRAC (M-MRAC) method to control the relative position and orientation of a cluster of satellites known collectively as the Synchronized Position Hold, Engage, Reorient Experimental Satellites (SPHERES). The approach uses fast estimation algorithms to achieve guaranteed tracking of reference commands for both input and output signals in the presence of uncertainties in mass and inertia data and external disturbances. The tracking errors can be systematically decreased by the proper selection of the design parameters in the identification model. The generated control signals have acceptable magnitudes and exhibit no oscillations. The benefits of the method are demonstrated in numerical simulations.

Relative motion↗
DOE OSTI2020

Big Data and AI at DoE's Legacy Sites - 20546

More than 30 years have passed since DOE started the decommissioning of nuclear weapon complexes and the clean-up of soil and groundwater. All the sites have been collecting and archiving soil and groundwater monitoring datasets; particularly contaminant concentration time-series. These datasets provide unparalleled opportunities to understand the system behavior (including more fundamental hydrological and geochemical processes, the response to various perturbations, the long-term trend and environmental decay rate towards the regulatory limit). This understanding is critical for providing multiple lines of evidences that can support site closure. In this study, we explore the machine learning (ML) and artificial intelligence (AI) applications to the long-term soil and groundwater management at DoE's legacy sites. ML can improve our understanding of the subsurface systems, which is critical for long-term monitoring and management of the sites, while AI can automate or support some of decision-making processes (e.g., anomaly detection, monitoring well placements). The particular focuses are to develop general algorithms to: (1) to identify distinct spatiotemporal patterns and to identify several groups that have similar temporal behaviors, using unsupervised clustering methods, (2) identify the different temporal scales of hydrological responses to climate perturbations by time-series analysis, and (3) reduce the number of monitoring wells by identifying the minimum sufficient number of wells to capture the heterogeneity of the groundwater contaminant plume and concentration distribution, using the Gaussian Process model. We demonstrate our methodology at the Savannah River Site F-Area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2012

Classification of Ascension Island and Natal Ozonesondes Using Self-Organizing Maps

Ozone profiles from balloon-borne ozonesondes are used for development of satellite algorithms and in chemistry-climate model initialization, assimilation and evaluation. An important issue in the application of these profiles is how best to treat variations where varying photochemical and dynamical influences can cause the ozone mixing ratio in the tropospheric segments of the profile to change by of a factor of 2-3 within a day. Clustering techniques are an ideal way to approach the statistical classification of profile data and we apply self-organizing maps to tropical tropospheric SHADOZ data, hypothesizing that the data will sort according to various influences on ozone, namely anthropogenic sources like biomass burning, meteorological conditions, and stratospheric or extra-tropical intrusions. Self-organizing maps, that use a learning algorithm to reveal the most prominent features of a data set according to a specified number of clusters, have been determined for the 1998-2009 SHADOZ profiles over Ascension Island (512 profiles, 7.98 deg. S, 14.42 deg. W) and Natal, Brazil (425 profiles, 5.42degS, 35.38degW). The 2 × 2 self-organizing map, which creates 4 clusters, reveals that deviations from the average ozone in the free troposphere include both increased ozone resulting from seasonal biomass burning in Africa and locally reduced ozone brought about by convective lifting of unpolluted boundary-layer air. Expanding to a 4 × 4 self-organizing map shows how biomass burning influences the yearly cycle of tropospheric ozone at Ascension Island and captures the seasonality of ozone at both Ascension Island and Natal. Comparing Ascension Island and Natal using a 4 × 4 self-organizing map at each site reveals similarities in mid-tropospheric ozone, but shows differences in lower-tropospheric ozone due to Ascension Island being closer to African biomass burning and more affected by descent from the mean Walker circulation, with less convective activity, than Natal.

algorithms↗
DOE OSTI2022

Distilling Knowledge from Ensembles of Cluster-Constrained-Attention Multiple-Instance Learners for Whole Slide Image Classification

The peculiar nature of whole slide imaging (WSI), digitizing conventional glass slides to obtain multiple high resolution images which capture microscopic details of a patient’s histopathological features, has garnered increased interest from the computer vision research community over the last two decades. Given the unique computational space and time complexity inherent to gigapixel-size whole slide image data, researchers have proposed novel machine learning algorithms to aid in the performance of diagnostic tasks in clinical pathology. One effective algorithm represents a Whole slide image as a bag of smaller image patches, which can be represented as low-dimension image patch embeddings. Weakly supervised deep-learning methods, such as cluster-constrained-attention multiple instance learning (CLAM), have shown promising results when combined with image patch embeddings. While traditional ensemble classifiers yield improved task performance, such methods come with a steep cost in model complexity. Through knowledge distillation, it is possible to retain some performance improvements from an ensemble, while minimizing costs to model complexity. In this work, we implement a weakly supervised ensemble using clustering-constrained-attention multiple-instance learners (CLAM), which uses attention and instance-level clustering to identify task salient regions and feature extraction in whole slides. By applying logit-based and attention-based knowledge distillation, we show it is possible to retain some performance improvements resulting from the ensemble at zero cost to model complexity.

Alamudun, Folami↗
NASA NTRS2004

The Development of Two Science Investigator-led Processing Systems (SIPS) for NASA's Earth Observation System (EOS)

In 2001, NASA Goddard Space Flight Center's Laboratory for Terrestrial Physics started the construction of a science Investigator-led Processing System (SIPS) for processing data from the Ozone Monitoring Instrument (OMI) which will launch on the Aura platform in mid 2004. The Ozone Monitoring Instrument (OMI) is a contribution of the Netherlands Agency for Aerospace Programs (NIVR) in collaboration with the Finnish Meteorological Institute (FMI) to the Earth Observing System (EOS) Aura mission. It will continue the Total Ozone Monitoring System (TOMS) record for total ozone and other atmospheric parameters related to ozone chemistry and climate. OMI measurements will be highly synergistic with the other instruments on the EOS Aura platform. The LTP previously developed the Moderate Resolution Imaging Spectrometer (MODIS) Data Processing System (MODAPS), which has been in full operations since the launches of the Terra and Aqua spacecrafts in December, 1999 and May, 2002 respectively. During that time, it has continually evolved to better support the needs of the MODIS team. We now run multiple instances of the system managing faster than real time reprocessings of the data as well as continuing forward processing. The new OMI Data Processing System (OMIDAPS) was adapted from the MODAPS. It will ingest raw data from the satellite ground station and process it to produce calibrated, geolocated higher level data products. These data products will be transmitted to the Goddard Distributed Active Archive Center (GDAAC) instance of the Earth Observing System (EOS) Data and Information System (EOSDIS) for long term archive and distribution to the public. The OMIDAPS will also provide data distribution to the OMI Science Team for quality assessment, algorithm improvement, calibration, etc. We have taken advantage of lessons learned from the MODIS experience and software already developed for MODIS. We made some changes in the hardware system organization, database and software to adapt the system for OMI. We replaced the fundamental database system, Sybase, with an Open Source RDBMS called PostgreSQL, and based the entire OMIDAPS on a cluster of Linux based commodity computers rather than the large SGI servers that MODAPS uses. Rather than relying on a central I/O server host, the new system distributes its data archive among multiple server hosts in the cluster. OMI is also customizing the graphical user interfaces and reporting structure to more closely meet the needs of the OMI Science Team. Prior to 2003, simulated OMI data and the science algorithms were not ready for production testing. We initially constructed a prototype system and tested using a 25 year dataset of Total Ozone Mapping Spectrometer (TOMS) and Solar Backscatter Ultraviolet Instrument (SBUV) data. This prototype system provided a platform to support the adaptation of the algorithms for OMI, and provided reprocessing of the historical data aiding in its analysis. In a recent reanalysis of the TOMS data, the OMIDAPS processed 108,000 full orbits of data through 4 processing steps per orbit, producing about 800,000 files (400 GiB) of level 2 and greater data files. More recently we have installed two instances of the OMIDAPS for integration and testing of OM1 science processes as they get delivered from the Science Team. A Test instance of the OMIDAPS has also supported a series of "Interface Confidence Tests" (ICTs) and End-to-End Ground System tests to ensure the launch readiness of the system. This paper will discuss the high-level hardware, software, and database organization of the OMIDAPS and how it builds on the MODAPS heritage system. It will also provide an overview of the testing and implementation of the production OMIDAPS.

Tilmes, Curt↗
NASA NTRS2006

UWB Tracking Software Development

An Ultra-Wideband (UWB) two-cluster Angle of Arrival (AOA) tracking prototype system is currently being developed and tested at NASA Johnson Space Center for space exploration applications. This talk discusses the software development efforts for this UWB two-cluster AOA tracking system. The role the software plays in this system is to take waveform data from two UWB radio receivers as an input, feed this input into an AOA tracking algorithm, and generate the target position as an output. The architecture of the software (Input/Output Interface and Algorithm Core) will be introduced in this talk. The development of this software has three phases. In Phase I, the software is mostly Matlab driven and calls C++ socket functions to provide the communication links to the radios. This is beneficial in the early stage when it is necessary to frequently test changes in the algorithm. Phase II of the development is to have the software mostly C++ driven and call a Matlab function for the AOA tracking algorithm. This is beneficial in order to send the tracking results to other systems and also to improve the tracking update rate of the system. The third phase is part of future work and is to have the software completely C++ driven with a graphics user interface. This software design enables the fine resolution tracking of the UWB two-cluster AOA tracking system.

Gross, Julia↗
DOE OSTI2021

Hybrid deep learning architecture for general disruption prediction across tokamaks

In this paper, we present a new deep learning disruption prediction algorithm based on important findings from explorative data analysis which effectively allows knowledge transfer from existing devices to new ones, thereby predicting disruptions using very limited disruptive data from the new devices. The explorative data analysis conducted via unsupervised clustering techniques confirms that time-sequence data are much better separators of disruptive and non-disruptive behavior than the instantaneous plasma state data with further advantageous implications for a sequence-based predictor. Based on such important findings, we have designed a new algorithm for multi-machine disruption prediction that achieves high predictive accuracy on the C-Mod (AUC=0.801), DIII-D (AUC=0.947) and EAST (AUC=0.973). tokamaks with limited hyperparameter tuning. Through numerical experiments, we show that boosted accuracy (AUC=0.959) is achieved on EAST predictions by including in the training only 20 disruptive discharges, thousands of non-disruptive discharges from EAST, and combining this with more than a thousand discharges from DIII-D and C-Mod. The improvement of predictive ability obtained by combining disruptive data from other devices is found to be true for all permutations of the three devices. Furthermore, by comparing the predictive performance of each individual numerical experiment, we find that non-disruptive data are machine-specific while disruptive data from multiple devices contain device-independent knowledge that can be used to inform predictions for disruptions occurring on a new device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space

Accuracy, variationality, and convergence underpin the reliability of modern electronic structure methods, yet definitive benchmarks in the relativistic regime remain elusive due to the absence of numerically exact full configuration interaction (CI) references. Recent algorithmic advances in the CI framework, enabled by the small-tensor-product (STP) decomposition approach, have dramatically extended the tractable size of the configuration space, making numerically exact CI calculations feasible in large active spaces previously beyond reach. In this paper, we employ the recently developed STP-CI framework to perform large-scale numerically exact CI calculations and directly benchmark relativistic coupled cluster and density matrix renormalization group methods. Definitive benchmarking of approximate relativistic electronic structure methods is ensured through the application of the gap theorem, which provides rigorous error bounds on the CI reference and establishes a controlled standard for assessing accuracy, variationality, and convergence.

Chemical calculations↗
DOE OSTI2020

GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems

The solution of eigenproblems is often a key computational bottleneck that limits the tractable system size of numerical algorithms, among them electronic structure theory in chemistry and in condensed matter physics. Large eigenproblems can easily exceed the capacity of a single compute node, thus must be solved on distributed-memory parallel computers. We here present GPU-oriented optimizations of the ELPA two-stage tridiagonalization eigensolver (ELPA2). On top of cuBLAS-based GPU offloading, we add a CUDA kernel to speed up the back-transformation of eigenvectors, which can be the computationally most expensive part of the two-stage tridiagonalization algorithm. Furthermore, we benchmark the performance of this GPU-accelerated eigensolver on two hybrid CPU–GPU architectures, namely a compute cluster based on Intel Xeon Gold CPUs and NVIDIA Volta GPUs, and the Summit supercomputer based on IBM POWER9 CPUs and NVIDIA Volta GPUs. Consistent with previous benchmarks on CPU-only architectures, the GPU-accelerated two-stage solver exhibits a parallel performance superior to the one-stage counterpart. Finally, we demonstrate the performance of the GPU-accelerated eigensolver developed in this work for routine semi-local KS-DFT calculations comprising thousands of atoms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Reconstruction with velocities

ABSTRACT Reconstruction is becoming a crucial procedure of galaxy clustering analysis for future spectroscopic redshift surveys to obtain subper cent level measurement of the baryon acoustic oscillation scale. Most reconstruction algorithms rely on an estimation of the displacement field from the observed galaxy distribution. However, the displacement reconstruction degrades near the survey boundary due to incomplete data and the boundary effects extend to ${\sim}100\, \mathrm{Mpc}/h$ within the interior of the survey volume. We study the possibility of using radial velocities measured from the cosmic microwave background observation through the kinematic Sunyaev–Zeldovich effect to improve performance near the boundary. We find that the boundary effect can be reduced to ${\sim}30-40\, \mathrm{Mpc}/h$ with the velocity information from Simons Observatory. This is especially helpful for dense low redshift surveys where the volume is relatively small and a large fraction of total volume is affected by the boundary.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Elastic distributed training with fast convergence and efficient resource utilization

Distributed learning is now routinely conducted on cloud as well as dedicated clusters. Training with elastic resources brings new challenges and design choices. Prior studies focus on runtime performance and assume a static algorithmic behavior. In this work, by analyzing the impact of of resource scaling on convergence, we introduce schedules for synchronous stochastic gradient descent that proactively adapt the number of learners to reduce training time and improve convergence. Our approach no longer assumes a constant number of processors throughout training. In our experiment, distributed stochastic gradient descent with dynamic schedules and reduction momentum achieves better convergence and significant speedups over prior static ones. Numerous distributed training jobs running on cloud may benefit from our approach.

Cong, Guojing↗
DOE OSTI2021

Pursuing sources of heterogeneity in modeling clustered population

Abstract Researchers often have to deal with heterogeneous population with mixed regression relationships, increasingly so in the era of data explosion. In such problems, when there are many candidate predictors, it is not only of interest to identify the predictors that are associated with the outcome, but also to distinguish the true sources of heterogeneity , that is, to identify the predictors that have different effects among the clusters and thus are the true contributors to the formation of the clusters. We clarify the concepts of the source of heterogeneity that account for potential scale differences of the clusters and propose a regularized finite mixture effects regression to achieve heterogeneity pursuit and feature selection simultaneously. We develop an efficient algorithm and show that our approach can achieve both estimation and selection consistency. Simulation studies further demonstrate the effectiveness of our method under various practical scenarios. Three applications are presented, namely, an imaging genetics study for linking genetic factors and brain neuroimaging traits in Alzheimer's disease, a public health study for exploring the association between suicide risk among adolescents and their school district characteristics, and a sport analytics study for understanding how the salary levels of baseball players are associated with their performance and contractual status.

Li, Yan↗
DOE OSTI2022

Sampling-based Sublinear Low-rank Matrix Arithmetic Framework for Dequantizing Quantum Machine Learning

We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang’s breakthrough quantum-inspired algorithm for recommendation systems [STOC’19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén et al. [STOC’19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all prior results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ℓ 2 -norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.

Computer Science↗
DOE OSTI2026

A scalable variational method for estimating the latent infection-rate field of an outbreak

In this paper, we explore whether the infection-rate of a disease can serve as a robust monitoring variable in epidemiological surveillance algorithms. The infection-rate is dependent on population mixing patterns that do not vary erratically day-to-day; in contrast, daily case-counts used in contemporary surveillance algorithms are corrupted by reporting errors. The technical challenge lies in estimating the latent infection-rate from case-counts. Here we devise a Bayesian method to estimate the infection-rate across multiple adjoining areal units, and then use it, via an anomaly detector, to discern a change in epidemiological dynamics. We extend an existing model for estimating the infection-rate in an areal unit by incorporating a Markov random field model, so that we may estimate infection-rates across multiple areal units, while preserving spatial correlations observed in the epidemiological dynamics. To carry out the high-dimensional Bayesian inverse problem, we develop an implementation of mean-field variational inference specific to the infection model and integrate it with the random field model to incorporate correlations across counties. The method is tested on estimating the COVID-19 infection-rates across all 33 counties in New Mexico using data from the summer of 2020, and then employing them to detect the arrival of the Fall 2020 COVID-19 wave. We perform the detection using a temporal algorithm that is applied county-by-county. We also show how the infection-rate field can be used to cluster counties with similar epidemiological dynamics.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2010

Using Agent Base Models to Optimize Large Scale Network for Large System Inventories

The aim of this paper is to use Agent Base Models (ABM) to optimize large scale network handling capabilities for large system inventories and to implement strategies for the purpose of reducing capital expenses. The models used in this paper either use computational algorithms or procedure implementations developed by Matlab to simulate agent based models in a principal programming language and mathematical theory using clusters, these clusters work as a high performance computational performance to run the program in parallel computational. In both cases, a model is defined as compilation of a set of structures and processes assumed to underlie the behavior of a network system.

Shameldin, Ramez Ahmed↗
DOE OSTI2021

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dark Energy Survey Year 3 results: galaxy clustering and systematics treatment for lens galaxy samples

ABSTRACT In this work, we present the galaxy clustering measurements of the two DES lens galaxy samples: a magnitude-limited sample optimized for the measurement of cosmological parameters, maglim, and a sample of luminous red galaxies selected with the redmagic algorithm. maglim/redmagic sample contains over 10 million/2.5 million galaxies and is divided into six/five photometric redshift bins spanning the range z ∈ [0.20, 1.05]/z ∈ [0.15, 0.90]. Both samples cover 4143 $\deg ^2$ over which we perform our analysis blind, measuring the angular correlation function with an S/N ∼ 63 for both samples. In a companion paper, these measurements of galaxy clustering are combined with the correlation functions of cosmic shear and galaxy–galaxy lensing of each sample to place cosmological constraints with a 3 × 2pt analysis. We conduct a thorough study of the mitigation of systematic effects caused by the spatially varying survey properties and we correct the measurements to remove artificial clustering signals. We employ several decontamination methods with different configurations to ensure the robustness of our corrections and to determine the systematic uncertainty that needs to be considered for the final cosmology analyses. We validate our fiducial methodology using lognormal mocks, showing that our decontamination procedure induces biases no greater than 0.5σ in the (Ωm, b) plane, where b is the galaxy bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Hybrid deep learning architecture for general disruption prediction across tokamaks

In this paper, we present a new deep learning disruption prediction algorithm based on important findings from explorative data analysis which effectively allows knowledge transfer from existing devices to new ones, thereby predicting disruptions using very limited disruptive data from the new devices. Here, the explorative data analysis conducted via unsupervised clustering techniques confirms that time-sequence data are much better separators of disruptive and non-disruptive behavior than the instantaneous plasma state data with further advantageous implications for a sequence-based predictor. Based on such important findings, we have designed a new algorithm for multi-machine disruption prediction that achieves high predictive accuracy on the C-Mod (AUC=0.801), DIII-D (AUC=0.947) and EAST (AUC=0.973) tokamaks with limited hyperparameter tuning. Through numerical experiments, we show that boosted accuracy (AUC=0.959) is achieved on EAST predictions by including in the training only 20 disruptive discharges, thousands of non-disruptive discharges from EAST, and combining this with more than a thousand discharges from DIII-D and C-Mod. The improvement of predictive ability obtained by combining disruptive data from other devices is found to be true for all permutations of the three devices. Furthermore, by comparing the predictive performance of each individual numerical experiment, we find that non-disruptive data are machine-specific while disruptive data from multiple devices contain device-independent knowledge that can be used to inform predictions for disruptions occurring on a new device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗