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At least 1,189 records · Page 66

PANTHER: Trajectory Analysis

We want to organize a body of trajectories in order to identify, search for, classify and predict behavior among objects such as aircraft and ships. Existing comparison functions such as the Fréchet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as total distance traveled and distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generally be mapped easily to behaviors of interest to humans that are searching large databases. Most of these geometric features are invariant under rigid transformation. We demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories, predict destination and apply unsupervised machine learning algorithms.

42 ENGINEERING↗

Report on activities and findings under DOE grant “Collaborative research. An Interactive Multi-Model for Consensus on Climate Change”

The project takes a hierarchical approach. The supermodeling scheme was first studied exhaustively with simple systems of ordinary differential equations. Results were described in detail in the previous report. The principal findings were that 1) for highly non-linear systems, such as Lorenz-63, including systems which describe phenomena on very different (atmosphere/ocean) times scales, supermodeling is far superior to any form of output-averaging; 2) negative coefficients can be used to advantage in situations where all models err in the same way, but to different degrees; 3) an interesting variant of supermodeling, “weighted supermodeling”, is the limiting case where inter-model nudging coefficients in the originally conceived “connected supermodel” become infinite, but with fixed ratios, corresponding to a direct combination of the tendencies that appear in corresponding equations for the alternative models; 4) noise is useful for avoiding local optima in training the inter-model coefficients in the supermodel. The supermodeling scheme was then investigated with simple quasigeostrophic (QG) models. As described in the previous report, it was found that QG models on a sphere can be coupled most efficaciously by working in a basis which captures the most variance, rather than the most instability, a somewhat unexpected result that still deserves scrutiny in a broader context. Further studies (since the last report) with QG channel models addressed the central question of when supermodeling is superior to output averaging in situations where nonlinearites are less extreme than with the ODEs initially studied. It was found that for realistic variations in a parameter in the QG model, output averaging is sufficient to capture all but the most subtle quantitative and qualitative behavior. Supermodeling helps when qualitative differences between the models result from unrealistically large parameter differences, or when very detailed spatial structure of the modes of variability are of interest. Therefore, the scheme may still be useful in the case of full climate models with qualitatively different parametrization schemes. A supermodel was constructed from the intermediate-complexity SPEEDO model, a primitive equation model with ocean and land. Versions defined by different parameter choices, in a realistic range, were connected and the coefficients trained. Some improvement was found as compared to output averaging. The learning algorithm used thus far gives sub-optimal, but still useful results when the CO 2 level and other parameters are varied. Spatial structure remains to be studied. The first use of supermodeling with full climate models has been with variants of the ECHAM model that use different convection schemes. As yet the models are only connected at the ocean-atmosphere interface, where weighted combinations of fluxes from the two atmospheres are passed to a common ocean, and the weights adapted during a training period. The supermodel was surprisingly successful at avoiding unrealistic features such as the double-ITCZ (Intertropical Convergence Zone), a problem that arises in both of the two models run separately. The supermodels constructed thus far have not identified dynamical regime shifts in future climate. Thus the planned connection with the work of Tsonis on the relationship between regime shifts and synchronization/de-synchronization among the major climate modes (see U. Wisconsin report) has not yet been made. However the network analysis of the climate system, in observations and models, that was done in conjunction with that study, shows that models differ strongly from one another and from observations in regard to the dynamical structure described by correlation networks [Steinhaeuser and Tsonis 2013], providing a further justification for supermodeling. Toward a general software framework for supermodeling, three versions of CAM (the Community Atmosphere Model) at NCAR were configured for inter-model nudging using the DART (Data Assimilation Research Testbed) capability to stop and re-start models in synchrony. It was clearly established that the inter-model nudging adds almost no computational burden to the runs, but there appears to be a problem with the re-initialization software that is still being debugged. Publications: Several papers were published on the basic idea of the interactive multi-model (supermodel) including demonstrations with low-order ODEs. The last of these, a semi-philosophical review paper on the relevance of synchronization generally, encountered considerable resistance but was finally published in Entropy [Duane 2015]. A paper on the ECHAM/COSMOS supermodel, containing the most promising results so far [Shen et al. 2015] is presently under review.

58 GEOSCIENCES↗

Optimizing the Performance of Radionuclide Identification Software in the Hunt for Nuclear Security Threats

The Radionuclide Analysis Kit (RNAK), my team’s most recent nuclide identification software, is entering the testing phase. A question arises: will removing rare nuclides from the software’s library improve its overall performance? An affirmative response indicates fundamental errors in the software’s framework, while a negative response confirms the effectiveness of the software’s key machine learning algorithms. After thorough testing, I found that the performance of RNAK cannot be improved with the library choice effect, thus verifying the effectiveness of RNAK’s algorithms—multiple linear regression, Bayesian network using the Viterbi algorithm, and branch and bound search.

97 MATHEMATICS AND COMPUTING↗

Artificial Diversity and Defense Security (ADDSec) Final Report

Critical infrastructure systems continue to foster predictable communication patterns and static configurations over extended periods of time. The static nature of these systems eases the process of gathering reconnaissance information that can be used to design, develop, and launch attacks by adversaries. In this research effort, the early phases of an attack vector will be disrupted by randomizing application port numbers, IP addresses, and communication paths dynamically through the use of overlay networks within Industrial Control Systems (ICS). These protective measures convert static systems into "moving targets," adding an additional layer of defense. Additionally, we have developed a framework that automatically detects and defends against threats within these systems using an ensemble of machine learning algorithms that classify and categorize abnormal behavior. Our proof-of-concept has been demonstrated within a representative ICS environment. Performance metrics of our proof-of-concept have been captured with latency impacts of less than a millisecond, on average.

97 MATHEMATICS AND COMPUTING↗

Non-Traditional Supercomputing

The High-Performance Computing of today is much different than the supercomputing resources a few decades ago. The supercomputers of the past were huge complexes of hundreds of interconnected computers that had large teams of specialists to keep them running. Today, while supercomputers like Summit (the world's most powerful supercomputer as of June 2018, installed at Oak Ridge National Laboratory) are still in high demand for extremely fast computational power (over 200,000 trillion calculations per second, or 200 petaflops), researchers at Sandia now have access to non-traditional computing resources in the way of very powerful graphics processing units (GPUs). These GPU systems have enabled an entirely new avenue of exploration for Sandia, allowing researchers to further tackle problems in energy, advanced materials, artificial intelligence, and nuclear weapons. Many teams at Sandia utilize these GPU clusters to build models through the use of machine learning. These models are faster representations of their code-driven counterparts and can often be leveraged from the exascale computing resources of traditionally larger systems with huge boosts in performance. We highlight two resources for these smaller systems: the team that builds the hardware, and the team that researches and builds the machine learning algorithms.

97 MATHEMATICS AND COMPUTING↗

Gluonic Excitations in Mesons

This award provided support for the Massachusetts Institute of Technology (MIT) to work on the GlueX experiment at Jefferson Lab (JLab). The MIT-GlueX group played a leading role in the development of an upgraded particle-identification system and in employing data-driven methods for calibrating GlueX data. In addition, our group focused on advancing the usage of machine learning algorithms and other state-of-the-art data science tools within the domain of nuclear physics research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Safeguards Technology Development Program Annual Report of FY 2018

In this project, Brookhaven National Laboratory (BNL) and Sandia National Laboratories (SNL) are jointly developing deep machine learning algorithms to improve the review process of surveillance data by identifying objects of interest in image-review software. The technique being developed in this project can be used to reduce the burden on International Atomic energy Agency (IAEA) safeguards inspectors during surveillance review.

36 MATERIALS SCIENCE↗

The Bird project: Using Big Data tools to support Search Analytics

The Bird project explored the use of big data analytics tool to improve the findability of information within the Sandia internal network. We were able to perform query classification utilizing the supervised learning algorithms in the Apache Spark library. By relying on the distributed processing capabilities provided by the Apache Hadoop framework, we successfully processed the large query log files needed to train the models in this effort. The capabilities developed in this project are being used to enhance the effectiveness of the enterprise search engine.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Final Technical Report

This report highlights of the last 3 years research. Discovery that one-layer (1L) epitaxial graphene plus one carbon interfacial buffer layer (BfL) , both grown by sublimation on SiC(0001), present a stiffness upon indentation similar/larger than bulk diamond and resist to perforation by a diamond indenter. Discovery of an sp 2 - sp 3 phase transformation upon indentation at room temperature of 1L+BfL epitaxial graphene on SiC, the new ultra-hard, ultra-stiff and insulating sp 3 phase was named Diamene . Demonstration of Å-Indentation (ÅI) measurements to measure the stiffness (up to 1 TPa) of ultra-thin (down to 1 atomic layer) films on substrates. First measurement by ÅI of the stiffness of Q-Carbon nano-filaments. Discovery of an oscillatory behavior in friction forces and work function values for even and odd number of layers in polycrystalline MoS 2 films, associated to the oscillatory piezoelectricity of the grains . Demonstration that monolayer MoS 2 can efficiently screen the vdW interaction of the underlying substrate with external systems. Identification of SiC buried terraces and graphene number of layers in a continuous film of epitaxial graphene on SiC by machine learning algorithms. New understanding of defects formation in monolayer MoS 2 . Demonstration of a new method based on thermal scanning probe lithography (t-SPL) for patterning electrodes on 2D materials overcoming EBL limitations . Demonstration of t-SPL for patterning nanoscale magnetic quantum waveguides . New understanding of how charged nanoparticles electrostatically assemble in 1D .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Machine Learning for Solar Technology Portfolio Management

Technology readiness level (TRL) labeling and forecasting today is done entirely manually. A computationally-assisted model of a TRL-like classification for estimation and tracking could enable a research and development (R&D) portfolio manager to more accurately estimate the relative level of development for technologies in that portfolio. This report describes the work to understand readiness level systems, train a machine learning algorithm to recognize textual indicators of particular readiness levels within written material from carefully chosen case studies in renewable technology development, and apply that algorithm to predict the readiness levels of other technology development cases. We account for the results of each step of the work conducted, including the predictive accuracy of the trained model: 54% correct, within a +/-1 readiness level error threshold and a root mean squared error of 1.88. Great potential remains to improve and apply this model for management of individual projects and across portfolios.

14 SOLAR ENERGY↗

Machine Learning for Solar Technology Portfolio Management

Technology readiness level (TRL) labeling and forecasting today is done entirely manually. A computationally-assisted model of a TRL-like classification for estimation and tracking could enable a research and development (R&D) portfolio manager to more accurately estimate the relative level of development for technologies in that portfolio. This report describes the work to understand readiness level systems, train a machine learning algorithm to recognize textual indicators of particular readiness levels within written material from carefully chosen case studies in renewable technology development, and apply that algorithm to predict the readiness levels of other technology development cases. We account for the results of each step of the work conducted, including the predictive accuracy of the trained model: 54% correct, within a +/-1 readiness level error threshold and a root mean squared error of 1.88. Great potential remains to improve and apply this model for management of individual projects and across portfolios.

14 SOLAR ENERGY↗

Understanding the Effects of Tapering on Gaussian Process Regression

Gaussian process regression is a computationally expensive machine learning algorithm that requires the solution of a system of linear equations with a dense covariance matrix. We propose a modification that uses tapering to introduce sparsity into the covariance matrix followed by matrix reordering schemes to reduce the bandwidth of the sparse matrix. We also apply iterative refinement to our approximate solution in order to recover some of the accuracy lost to tapering. Our numerical tests showed that this modification works best with datasets that have many small values in the covariance matrix. This restricts the usefulness of the modification, so other techniques to reduce computational time may be worth considering in the future.

97 MATHEMATICS AND COMPUTING↗

An Innovative HIV “Mosaic” Vaccine Design Based on Machine Learning

Approximately 37 million people worldwide have the human immunodeficiency virus (HIV). Because of HIV’s incredible diversity — each infected person carries a unique set of viruses — an effective vaccine against HIV needs to stimulate an immune response that can recognize its many variants. Using a machine-learning algorithm and the NIH funded Los Alamos National Laboratory database of hundreds of thousands of HIV sequences gathered from around the globe, Los Alamos scientists were able to design small sets of sequences that in combination provide optimal coverage of HIV’s diversity. The mosaic vaccine is the world’s first computationally-designed vaccine. Through a decade of testing it has continued to show promise, and so currently is being tested in two human efficacy trials to evaluate whether the investigational vaccine regimen can reduce the incidence of HIV infection among 2,600 women in sub-Saharan Africa, and 3,800 men who have sex with men and transgender people in the Americas.

59 BASIC BIOLOGICAL SCIENCES↗

YOLO Test Software v1.4

This is a user manual of the software being developed at Brookhaven National Laboratory to test deep learnings algorithms. (YOLO) You Only Look Once. V1.4 added new features, including Display metric average recall, early termination option and display filename/image.

97 MATHEMATICS AND COMPUTING↗

Group Structure Machine Learning Proposal

Nuclear data is the linchpin underwriting several fundamental capabilities and mission needs at LANL. New techniques such as machine learning can be brought to bear to solve old problems such as multigroup cross-section accuracy. In neutron transport, generating multigroup cross sections is a complex and arcane task, but a crucial one, as accurate solutions require appropriate cross sections. There are two key challenges when generating multigroup cross sections: (1) choosing an accurate weight function, and (2) choosing appropriate energy boundaries. Often, energy boundaries are chosen using “expert judgment” that is not documented and is difficult to replicate. The long-standing Los Alamos 30-group structure has been in use since at least 1969 and is still in use today. Simplistic attempts over the years since to improve on the 30-group structure have been met with limited success. Machine learning algorithms would enable the selection of appropriate, problem-dependent group boundaries without an inordinate investment of scientist time. We will develop workflows and tools to enable these improved group boundary choices, which will reduce uncertainty and increase predictive capability of neutron-transport applications at LANL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Cognition at the Point of Sensing

Over the last 15 years, compressive sensing techniques have been developed which have the potential to greatly reduce the amount of data collected by systems while preserving the amount of information obtained. A cost of this efficiency is that a computationally-intensive optimization routine must be used to put the sensed data into a form that a person can interpret. At the same time, machine learning techniques have experienced tremendous growth as well. Machines have demonstrated the ability learn how to effectively perform tasks such as detection and classification at speeds much faster than humanly possible. Our goal in this project was to study the feasibility of using compressive sensing systems "at the edge." That is, how can compressive sensing sensors be deployed such that information is created at the remote sensor rather than sending raw data to a central processing location? Studies were performed to analyze whether machine learning could be done on the compressively sensed data in its raw form. If a machine is performing the task, is it possible to do so without putting the data into a human interpretable form? We show that this is possible for some systems, in particular a compressive sensing snapshot imaging spectrometer. Machine learning tasks were demonstrated to be more effective and more robust to noise when the machine learning algorithm worked on data in its raw form. This system is shown to outperform a traditional spectrometer. Techniques for reducing the complexity of the reconstruction routine were also analyzed. Techniques for such as data regularization, deep neural networks, and matrix completion were studied and shown to have benefits over traditional reconstruction techniques. In this project we showed that compressive sensing sensors are indeed feasible at the edge. As always, sensors and algorithms must be carefully tuned to work in the constrained environment. In this project we developed tools and techniques to enable those analyses.

47 OTHER INSTRUMENTATION↗

Applying Machine Learning to the Classification of DC-DC Converters. NA-22 Final Report

Tools are now available that enable measurement electromagnetic radiation (EMR) from active electronics in an item. This radiation may be intended WIFI or cellular network links, for example or unintended such as the switching noise generated by DC-to-DC converters. It would be extremely valuable to have the capability to discriminate between the low-voltage DC-to-DC converters or other digital noise prevalent in most modern electronics, versus the high-voltage DC-to-DC converters used in utility firesets. Previous work performed under a Sandia Laboratory Directed Research and Development (LDRD) project on Charge State Detection using a deep neural network has been continued in this effort. A state-of-the-art supervised machine learning algorithm has not only been extended to discriminate between low and high voltage converters but has been validated in determining a converters make and model.

42 ENGINEERING↗

Feature Detection

Focal Area(s): This proposal aims to develop and evaluate statistical models and machine learning algorithms for detecting and tracking features in spatiotemporal remotely sensed data with uncertainty quantification. We focus a particular application on the detection of sea ice leads and ridges in the Arctic and use these key sea ice features for model calibration and to gain insight into the physics of sea ice thermodynamics and deformation.

54 ENVIRONMENTAL SCIENCES↗