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Identification of drug repurposing candidates for amyotrophic lateral sclerosis using electronic health records: a retrospective cohort study

Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease with a life expectancy of only 3–5 years and few approved treatments. To identify drug repurposing candidates for the treatment of ALS, we analysed the electronic health records (EHRs) of a large cohort of military veterans with ALS. We analysed the EHRs of individuals in the US Veterans Health Administration (VHA) database who were diagnosed with ALS between Jan 1, 2009 and Dec 31, 2019 to assess medication effects. Individuals without recorded prescriptions after the date of diagnosis were excluded. Two sets of criteria were applied to ascertain exposure. Exposure criteria A were met if the dispense date or the end date of the medication was within 12 months of ALS diagnosis and the end date was at least 6 months after the dispense date. Exposure criteria B were met if there were at least two dispenses within 6 months before diagnosis and 12 months after diagnosis. Propensity score-matched control groups were generated on the basis of confounders included in the EHR, with methodology of potential outcomes used to infer treatment effects. The primary outcome was death. A standard Cox proportional hazards analysis was done to assess association with survival. Survival was defined as the time from diagnosis date recorded in the EHR to death reported in the Department for Veterans Affairs Vital Status File. Follow-up survival time was censored on Dec 31, 2020, for those alive on this date. Downstream protein targets of drugs with clinically significant effects were analysed using the protein–protein interaction networks-based algorithm PathFX. The EHRs of 11 003 individuals with ALS in the VHA database were appropriate for analysis. 162 medications with treatment groups of 30 or more individuals were identified. Among these 162 medications, 27 were associated with statistically significant changes (≥0·1) in the hazard ratio (HR) for death. 18 of the medications were associated with a reduced HR for death (prolonged survival), and nine were associated with an increased HR for death (reduced survival). Drugs associated with reduced HR included HMG-CoA reductase inhibitors (simvastatin, pravastatin, lovastatin, and atorvastatin), PDE5 inhibitors (vardenafil and sildenafil), and α-adrenergic antagonists (tamsulosin and terazosin). The medications associated with an increased HR were drugs used either in the management of clinical features of ALS associated with poor outcomes or in end-of-life care. PathFx analysis identified a complex of proteins interacting with several of the identified drugs. To our knowledge, this analysis is the largest EHR-based study for identifying drug repurposing candidates for ALS. We identified several drugs that warrant further assessment as therapeutic options in ALS, as well as a protein network complex that might serve as a therapeutic target for ALS.

Reimer, Richard J. [Stanford Univ., CA (United Sta↗

Evaluation and Comparison of Machine Learning Techniques for Rapid QSTS Simulations

Rapid and accurate quasi-static time series (QSTS) analysis is becoming increasingly important for distribution system analysis as the complexity of the distribution system intensifies with the addition of new types, and quantities, of distributed energy resources (DER). The expanding need for hosting capacity analysis, control systems analysis, photovoltaic (PV) and DER impact analysis, and maintenance cost estimations are just a few reasons that QSTS is necessary. Historically, QSTS analysis has been prohibitively slow due to the number of computations required for a full-year analysis. Therefore, new techniques are required that allow QSTS analysis to rapidly be performed for many different use cases. This research demonstrates a novel approach to doing rapid QSTS analysis for analyzing the number of voltage regulator tap changes in a distribution system with PV components. A representative portion of a yearlong dataset is selected and QSTS analysis is performed to determine the number of tap changes, and this is used as training data for a machine learning algorithm. The machine learning algorithm is then used to predict the number of tap changes in the remaining portion of the year not analyzed directly with QSTS. The predictions from the machine learning algorithms are combined with the results of the partial year simulation for a final prediction for the entire year, with the goal of maintaining an error <10% on the full-year prediction. Five different machine learning techniques were evaluated and compared with each other; a neural network ensemble, a random forest decision tree ensemble, a boosted decision tree ensemble, support vector machines, and a convolutional neural network deep learning technique. A combination of the neural network ensemble together with the random forest produced the best results. Using 20% of the year as training data, analyzed with QSTS, the average performance of the technique resulted in ~2.5% error in the yearly tap changes, while maintaining a <10% 99.9 th percentile error bound on the results. This is a 5x speedup compared to a standard, full-length QSTS simulation. These results demonstrate the potential for applying machine learning techniques to facilitate modern distribution system analysis and further integration of distributed energy resources into the power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multiband radar characterization of forest biomes

The utility of airborne and orbital SAR in classification, assessment, and monitoring of forest biomes is investigated through analysis of orbital synthetic aperature radar (SAR) and multifrequency and multipolarized airborne SAR imagery relying on image tone and texture. Preliminary airborne SAR experiments and truck-mounted scatterometer observations demonstrated that the three dimensional structural complexity of a forest, and the various scales of temporal dynamics in the microwave dielectric properties of both trees and the underlying substrate would severely limit empirical or semi-empirical approaches. As a consequence, it became necessary to develop a more profound understanding of the electromagnetic properties of a forest scene and their temporal dynamics through controlled experimentation coupled with theoretical development and verification. The concatenation of various models into a physically-based composite model treating the entire forest scene became the major objective of the study as this is the key to development of a series of robust retrieval algorithms for forest biophysical properties. In order to verify the performance of the component elements of the composite model, a series of controlled laboratory and field experiments were undertaken to: (1) develop techniques to measure the microwave dielectric properties of vegetation; (2) relate the microwave dielectric properties of vegetation to more readily measured characteristics such as density and moisture content; (3) calculate the radar cross-section of leaves, and cylinders; (4) improve backscatter models for rough surfaces; and (5) relate attenuation and phase delays during propagation through canopies to canopy properties. These modeling efforts, as validated by the measurements, were incorporated within a larger model known as the Michigan Microwave Canopy Scattering (MIMICS) Model.

Dobson, M. Craig↗

Evaluation of Correction Methods for NASA GeneLab Transcriptomic Datasets

Conducting space biology experiments aboard the International Space Station, particularly those utilizing complex model organisms like mice, is expensive and difficult due to limited crew availability, hardware, and space. As a result, sample numbers from these studies are low, reducing the statistical power of any one experiment. Aggregating spaceflight datasets serves as a method to increase sample numbers, allowing for novel insights through bioinformatic analysis of ‘omics data from merged datasets. However, aggregating datasets can introduce unwanted variation including 1) differences in sample handling, processing, and sequencing platforms between datasets (technical variation) as well as 2) differences in experimental design between datasets such as sex or age of the model organism used. In the present study, NASA GeneLab-hosted RNAseq datasets from rodent liver tissues were used to evaluate several statistical methods to correct for this unwanted variation through two approaches, reference-based and standard. The following correction algorithms were applied with (reference-based) and/or without (standard) considering Universal Mouse RNA Reference samples: ComBat and ComBat_seq from the SVA package, median polish, empirical Bayes, and ANOVA-based algorithms from the MBatch package, and negative binomial regression normalization in the DESeq2 package. For each approach, after the correction algorithm was applied, differential gene expression (DGE) analysis of flight and ground control samples was performed with the combined data. The robustness of each tool was evaluated using BatchQC, to determine statistical differences between datasets before and after correction, Principal Component Analysis, to evaluate global gene expression in samples before and after correction, and by comparing DGE analysis of individual datasets and combined datasets before and after correction. The results showed that the reference-based approach introduced several additional (and likely artificial) DEGs when compared with the standard approach. Thus, the most robust standard correction will be implemented in the GeneLab Visualization 2.0 platform when datasets are combined.

GeneLab, RNA-seq, Batch Correction↗

Nearly Optimal Lattice Simulation by Product Formulas

We consider simulating an n-qubit Hamiltonian with nearest-neighbor interactions evolving for time t on a quantum computer. We show that this simulation has gate complexity (nt)1+o(1) using product formulas, a straightforward approach that has been demonstrated by several experimental groups. While it is reasonable to expect this complexity—in particular, this was claimed without rigorous justification by Jordan, Lee, and Preskill—we are not aware of a straightforward proof. Furthermore, our approach is based on an analysis of the local error structure of product formulas, as introduced by Descombes and Thalhammer and significantly simplified here. We prove error bounds for canonical product formulas, which include well-known constructions such as the Lie-Trotter-Suzuki formulas. We also develop a local error representation for time-dependent Hamiltonian simulation, and we discuss generalizations to periodic boundary conditions, constant-range interactions, and higher dimensions. Combined with a previous lower bound, our result implies that product formulas can simulate lattice Hamiltonians with nearly optimal gate complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimal net-load balancing in smart grids with high PV penetration

Mitigating mismatches in supply demand curve is critical for smooth power grid operation. Traditionally, load curtailment techniques such as Demand Response (DR) have been used for this purpose. However, smart grids with high PV penetration sometimes exhibit supply surplus causing over-voltages. Thus, load curtailment techniques cannot be the only component of a net-load balancing framework. Supply curtailment techniques such as Volt-Var Optimizations are complex and computationally expensive. This increases the complexity of net-load balancing systems used by the grid operator and limits their scalability. Recently, new technologies have been developed that enable the rapid and selective connection of PV modules of an installation to the grid. Taking advantage of these advancements, we develop a unified optimal net-load balancing framework which performs both load and solar curtailment. We show that when the available curtailment values are discrete, this problem is NP-hard and develop bounded approximation algorithms for minimizing the curtailment cost. Our algorithms produce fast solutions, given the tight timing constraints required for grid operation. We also incorporate the notion of fairness to ensure that curtailment is evenly distributed among all the nodes. Finally, we develop an online algorithm which performs net-load balancing using only data available for the current interval. Using both theoretical analysis and practical evaluations, we show that our net-load balancing algorithms provide solutions which are close to optimal in a small amount of time.

14 SOLAR ENERGY↗

Performance analysis of a generalized concurrent error detection procedure

A general procedure for error detection in complex systems, called the data block capture and analysis monitoring process, is described and analyzed. It is assumed that, in addition to being exposed to potential external fault sources, a complex system will in general always contain embedded hardware and software fault mechanisms which can cause the system to perform incorrect computations and/or produce incorrect output. Thus, in operation, the system continuously moves back and forth between error and no-error states. These external fault sources or internal fault mechanisms are extremely difficult to detect. The data block capture and analysis monitoring process is concerned with detecting deviations from the normal performance of the system, known as errors, which are symptomatic of fault conditions. The process consists of repeatedly recording a fixed amount of data from a set of predetermined observation lines of the system being monitored (i.e., capturing a block of data) and then analyzing the captured block in an attempt to determine whether the system is functioning correctly. The performances of linear, quadratic, and logarithmic data analysis algorithms are rigorously characterized in terms of the probability of correctly detecting an error, the expectation and variance of the number of false alarms per error, and the expectation and variance of the latency in detection of errors. Insight into the nature of the general problem of error detection is obtained.

Blough, Douglas M.↗

Sensor Selection and Data Validation for Reliable Integrated System Health Management

For new access to space systems with challenging mission requirements, effective implementation of integrated system health management (ISHM) must be available early in the program to support the design of systems that are safe, reliable, highly autonomous. Early ISHM availability is also needed to promote design for affordable operations; increased knowledge of functional health provided by ISHM supports construction of more efficient operations infrastructure. Lack of early ISHM inclusion in the system design process could result in retrofitting health management systems to augment and expand operational and safety requirements; thereby increasing program cost and risk due to increased instrumentation and computational complexity. Having the right sensors generating the required data to perform condition assessment, such as fault detection and isolation, with a high degree of confidence is critical to reliable operation of ISHM. Also, the data being generated by the sensors needs to be qualified to ensure that the assessments made by the ISHM is not based on faulty data. NASA Glenn Research Center has been developing technologies for sensor selection and data validation as part of the FDDR (Fault Detection, Diagnosis, and Response) element of the Upper Stage project of the Ares 1 launch vehicle development. This presentation will provide an overview of the GRC approach to sensor selection and data quality validation and will present recent results from applications that are representative of the complexity of propulsion systems for access to space vehicles. A brief overview of the sensor selection and data quality validation approaches is provided below. The NASA GRC developed Systematic Sensor Selection Strategy (S4) is a model-based procedure for systematically and quantitatively selecting an optimal sensor suite to provide overall health assessment of a host system. S4 can be logically partitioned into three major subdivisions: the knowledge base, the down-select iteration, and the final selection analysis. The knowledge base required for productive use of S4 consists of system design information and heritage experience together with a focus on components with health implications. The sensor suite down-selection is an iterative process for identifying a group of sensors that provide good fault detection and isolation for targeted fault scenarios. In the final selection analysis, a statistical evaluation algorithm provides the final robustness test for each down-selected sensor suite. NASA GRC has developed an approach to sensor data qualification that applies empirical relationships, threshold detection techniques, and Bayesian belief theory to a network of sensors related by physics (i.e., analytical redundancy) in order to identify the failure of a given sensor within the network. This data quality validation approach extends the state-of-the-art, from red-lines and reasonableness checks that flag a sensor after it fails, to include analytical redundancy-based methods that can identify a sensor in the process of failing. The focus of this effort is on understanding the proper application of analytical redundancy-based data qualification methods for onboard use in monitoring Upper Stage sensors.

Garg, Sanjay↗

Algorithmic Patterns for $$\mathcal {H}$$-Matrices on Many-Core Processors

In this work, we consider the reformulation of hierarchical ( \(\mathcal {H}\) ) matrix algorithms for many-core processors with a model implementation on graphics processing units (GPUs). \(\mathcal {H}\) matrices approximate specific dense matrices, e.g., from discretized integral equations or kernel ridge regression, leading to log-linear time complexity in dense matrix–vector products. The parallelization of \(\mathcal {H}\) matrix operations on many-core processors is difficult due to the complex nature of the underlying algorithms. While previous algorithmic advances for many-core hardware focused on accelerating existing \(\mathcal {H}\) matrix CPU implementations by many-core processors, we here aim at totally relying on that processor type. As main contribution, we introduce the necessary parallel algorithmic patterns allowing to map the full \(\mathcal {H}\) matrix construction and the fast matrix–vector product to many-core hardware. In this work, crucial ingredients are space filling curves, parallel tree traversal and batching of linear algebra operations. The resulting model GPU implementation hmglib is the, to the best of the authors knowledge, first entirely GPU-based Open Source \(\mathcal {H}\) matrix library of this kind. We investigate application examples as present in kernel ridge regression, Gaussian Process Regression and kernel-based interpolation. In this context, an in-depth performance analysis and a comparative performance study against a standard multi-core CPU \(\mathcal {H}\) matrix library highlights profound speedups of our many-core parallel approach.

97 MATHEMATICS AND COMPUTING↗

Structural hierarchy as a key to complex phase selection in Al-Sm

Investigating the unknown structure of the complex cubic phase, previously observed to crystallize from melt-spun amorphous Al–10 at.% Sm alloy, we determine the structure in full site-occupancy detail, highlighting several critical structural features that govern the far-from-equilibrium phase selection pathway. Using an efficient genetic algorithm combining molecular dynamics, density functional theory, and x-ray diffraction, the structure is clearly identified as body-centered cubic Im¯3m (No. 229) with ~140 atoms per cubic unit cell and a lattice parameter of 1.4 nm. The complex structure is further refined to elucidate the detailed site occupancy, revealing full Sm occupancy on 6b sites and split Sm/Al occupancy on 16f sites. Based on the refined site occupancy associated with the experimentally observed phase, we term this phase ε–Al 60 Sm 11 (bcc), corresponding to the limiting situation when all 16f sites are occupied by Sm. However, it should be recognized that the range of solubility enabled by split occupancy at Sm sites is an important feature in phase selection under experimental conditions, permitting an avenue for transition with little or no chemical partitioning. Our analysis shows that the ε–Al 60 Sm 11 (bcc) exhibits a “3-6-6-1” first-shell packing around Sm centers on 16f sites, the same dominant motif exhibited by the undercooled liquid. Here, the coincident motif supports the notion that liquid/glass ordering at high undercooling may give rise to topological invariants between the noncrystalline and crystalline states that provide kinetic pathways to metastable phases that are not accessible during near-equilibrium processing.

36 MATERIALS SCIENCE↗

From 2D to 4D: a containerized workflow and browser to explore dynamic chromatin architecture

Background Characterizing the physical organization of the genome is essential for understanding long-range gene regulation, chromatin compartmentalization, and epigenetic accessibility. Hi-C experiments generate two-dimensional (2D) genome-wide contact maps of chromatin interactions by capturing the spatial proximity between genomic loci, which reveal interaction frequencies but lack the spatial resolution needed to interpret the three-dimensional (3D) genome structure(s). Emerging evidence suggests that epigenetic regulation is closely linked to 3D genome architecture, and that structural changes over time (4D) drive key biological processes in development, disease, and environmental response. Thus, integrating 3D structure with functional data is critical for a more complete understanding of genome regulation. Previous work, most notably the 4DHiC chromosome modeling framework, has shown that physical multi-dimensional modeling approaches rooted in polymer physics and molecular dynamics can resolve these structures at biologically meaningful resolutions by integrating temporal Hi-C data with physical constraints to uncover dynamic chromosome reorganization. Thus, molecular dynamics simulations, constrained by Hi-C contact matrices, can resolve fine-scale structural changes and reveal functionally significant transitions in chromatin conformation. Results Herein, we present the 4D Genome Browser Workflow (4DGBWorkflow) and the 4D Genome Browser (4DGB). The algorithm is based on the 4DHiC method, and the containerized tool is an end-to-end workflow that can transform, filter, and view 4D epigenomics and chromatin datasets, allowing non-specialists to apply three-dimensional modeling principles to diverse datasets and experimental conditions. The software executes on a laptop running macOS, Linux or Windows. From input Hi-C files (.hic), the 4DGBWorkflow produces 3D reconstructions of chromosomes, integrates the reconstruction with track data (e.g., epigenetic marks, transcriptome profiles), and provides comparative visualization of the results in a single workflow. Conclusions The 4DGBWorkflow and 4D Genome Browser are open-source tools for comparative analysis and visualization of 4D chromosome datasets, including chromatin architecture and epigenomic signals. Automatic integration of Hi-C data with molecular dynamics democratizes the construction of time resolved 3D genome structures, simplifying complex simulations and data integration schemes.

3D Genome Browser↗

Stage Separation Performance Analysis Project

Stage separation process is an important phenomenon in multi-stage launch vehicle operation. The transient flowfield coupled with the multi-body systems is a challenging problem in design analysis. The thermodynamics environment with burning propellants during the upper-stage engine start in the separation processes adds to the complexity of the-entire system. Understanding the underlying flow physics and vehicle dynamics during stage separation is required in designing a multi-stage launch vehicle with good flight performance. A computational fluid dynamics model with the capability to coupling transient multi-body dynamics systems will be a useful tool for simulating the effects of transient flowfield, plume/jet heating and vehicle dynamics. A computational model using generalize mesh system will be used as the basis of this development. The multi-body dynamics system will be solved, by integrating a system of six-degree-of-freedom equations of motion with high accuracy. Multi-body mesh system and their interactions will be modeled using parallel computing algorithms. Adaptive mesh refinement method will also be employed to enhance solution accuracy in the transient process.

Chen, Yen-Sen↗

SPARC: Structural properties associated with residue constraints

SPARC facilitates the generation of plausible hypotheses regarding underlying biochemical mechanisms by structurally characterizing protein sequence constraints. Such constraints appear as residues co-conserved in functionally related subgroups, as subtle pairwise correlations (i.e., direct couplings), and as correlations among these sequence features or with structural features. SPARC performs three types of analyses. First, based on pairwise sequence correlations, it estimates the biological relevance of alternative conformations and of homomeric contacts, as illustrated here for death domains. Second, it estimates the statistical significance of the correspondence between directly coupled residue pairs and interactions at heterodimeric interfaces. Third, given molecular dynamics simulated structures, it characterizes interactions among constrained residues or between such residues and ligands that: (a) are stably maintained during the simulation; (b) undergo correlated formation and/or disruption of interactions with other constrained residues; or (c) switch between alternative interactions. We illustrate this for two homohexameric complexes: the bacterial enhancer binding protein (bEBP) NtrC1, which activates transcription by remodeling RNA polymerase (RNAP) containing σ 54 , and for DnaB helicase, which opens DNA at the bacterial replication fork. Based on the NtrC1 analysis, we hypothesize possible mechanisms for inhibiting ATP hydrolysis until ADP is released from an adjacent subunit and for coupling ATP hydrolysis to restructuring of σ 54 binding loops. Based on the DnaB analysis, we hypothesize that DnaB ‘grabs’ ssDNA by flipping every fourth base and inserting it into cavities between subunits and that flipping of a DnaB-specific glutamine residue triggers ATP hydrolysis.

97 MATHEMATICS AND COMPUTING↗

Parallel sorting algorithm classification: is manual instrumentation necessary?

Understanding parallel algorithms is crucial for accelerating scientific simulations on complex, distributed memory, high-performance computers. Modern algorithm classification approaches learn semantics directly from source code to differentiate between algorithms, however, accessing source code is not always possible. We can learn about parallel algorithms from observing their performance, as programs running the same algorithms and using the same hardware should exhibit similar performance characteristics. We present an approach to learn algorithm classes from parallel performance data directly in order to classify algorithms without access to the source code. We extend previous work to enable classifying parallel sorting algorithms using automatic instrumentation instead of requiring manual region annotations in the source code. In this work, we design and demonstrate a study for classification of parallel sorting algorithms using parallel performance data collected from automatic instrumentation, and evaluate the performance of our new methodology on classification. We leverage Caliper to collect the performance data, Thicket for our exploratory data analysis (EDA), and PyTorch and Scikit-learn to evaluate the effectiveness of random forests, support vector machines (SVMs), decision trees, neural networks, and logistic regressions on parallel performance data. Additionally, we study noise in parallel performance data, whether the removal of noise and pre-processing of the data is necessary to accurately classify parallel sorting algorithms, and determine the effectiveness of features created from performance data. In conclusion, we demonstrate classification accuracy for these five different models of up to 97.7% across four different parallel algorithm classes.

Algorithm Classification↗

Case Study: Nuclear-Renewable-Water Integration in Arizona

This document reports the application of the N-R HES software framework to a case study for Arizona Public Service (APS); the manager and part owner of the Palo Verde (PV) nuclear power plant. The case study is a work in progress of which this report presents a detailed description of the current model input data, assumptions and the corresponding results produced by the developed software framework. The goal of the report is, that with this information APS (together with INL) should be able to identify where more detailed data and more accurate model assumptions are necessary to reproduce all driving physical and economic phenomena in order to capture enough complexity of the reality to allow APS to use the results for their strategic decisions. The N-R HES software framework started being developed at INL two years ago [ref]. The framework has reached some level of maturity so that it can be applied to more than simple demonstration cases, e.g. real industry problems. Nevertheless, more capabilities are constantly added to accommodate the special needs of these challenging real life problems. The N-R HES framework is built on top of the RAVEN code [ref] and uses it as driver and workflow manager for all calculations. The framework has specifically been developed for the economic assessment of N-R HES systems. There are four main cornerstones of the N-R HES simulation framework: 1) generation of stochastic time series, 2) a probabilistic analysis and optimization set of algorithms available in RAVEN, 3) a set of models for representation of the physical behavior of N-R HES, and 4) a RAVEN plug-in that maps physical performance into economic performance called CashFlow. Within this framework, a broad spectrum of questions related to N-R HES can be addressed. One of the challenges currently of high interest is that the increasing penetration of variable renewables is altering the profile of the net demand (demand after removing all non curtailable renewable energy sources), with which the other generators on the grid have to cope. The N-R HES software framework is capable to analyze the potential feasibility of mitigating the resultant volatility in the net electricity demand. One possible solution to that problem currently intensively studied by the energy industry is adding stabilizing loads to the grid. These loads can be external industrial processes that are able to ramp production up and down quickly or adding variable internal loads that will lift the base load of the power plant. The latter is a possible solution currently studied by APS. APS if currently anticipating several challenges that will likely arise in the near future. One of them is, as mentioned, coping with the rapid growth of variable renewable energy (VRE) sources put on the grid. Although APS can sell its electricity for a fixed retail price to cover the local demand first, it also sells electricity in excess of the local demand at the Palo Verde energy hub. Due to the growing VRE penetration, the Palo Verde hub electricity spot price is negative more and more frequently. To mitigate this price volatility, APS is seeking to add more base load, so that the quantity of excess energy to be sold for prices potentially less than the internal retail price or even negative prices at the hub is reduced. A second challenge APS is facing is that their cooling water acquisition contract with the Sub Regional Operating Group (SROG) will expire soon and a renewal can only be done for a significantly higher price of the water. Therefore, APS is also seeking for alternative sources for their cooling water. An opportunity currently under investigation is to pump a limited quantity of brackish water from the regional ground water. Although much cheaper than the water from the new SROG contract, the salinity of the brackish water is so high that a blend of brackish and SROG water would need additional treatment to improve its quality for use in the cooling towers. An on-site reverse osmosis (RO) desalination plant is envisaged to reduce the salinity to an acceptable level. This report investigates the economic impact of such an RO plant. As one can see, the RO plant would help with both problems APS is facing: First, it would rise the APS base load helping to mitigate VRE induced hub price volatility. From this perspective, the RO plant can be seen as a stabilizing load on the grid as would be any other industrial process. Second, the RO’s goods, e.g. the clean water produced can be used by APS itself for a (hopefully) lower cost than 100% SROG water would be. The report will first describe the APS water procurement strategy in detail and lay out the possible alternative scenarios studied in this document. This is covered in Chapter 2. Next, in Chapter 3, the APS case model developed within the N-R HES software framework is described. This chapter includes also a description of the needed framework developments to accommodate the APS study.

97 MATHEMATICS AND COMPUTING↗

Generating Synthetic Time Series Photovoltaic Data with Real-World Physical Challenges and Noise for Use in Algorithm Test and Validation

The PV Fleet Data Initiative and other projects seek the develop algorithms for automated analysis of PV time series data for extraction of statistical information and other parameters of the data such as degradation rates, soiling loss information, tracker performance, clipping or curtailment, system availability and other valuable information. While there is a vast body of PV data available for application of said extraction algorithms it is difficult to validate these algorithms because the true parameters to be extracted are not known. There has been a wide use of synthetic data in the literature for algorithm validation but this synthetic data is typically very bounded by the problem or topic at hand. The PV Fleet Data Initiative project has demonstrated that real time series PV data almost always includes a host of data quality and physical problems that, in reality, any automated PV abstraction algorithm must handle appropriately. For this reason, this work describes the development of a complex synthetic PV times series data set that includes data quality and physical problems that have been experienced in real world PV data. The various quality and physical problems are documented in the synthetic data so that users can test the validity of various PV extraction algorithms as well as develop new algorithms to solve problems this data set can support.

14 SOLAR ENERGY↗

Towards the Development of a Multi-Agent Cognitive Networking System for the Lunar Environment

This paper details the development of a multi-agent cognitive system intended to optimize networking performance in the lunar environment. NASA’s current concept of the future of lunar communication, LunaNet [1], outlines a complex network of networks. Challenges such as scalability, interoperability and reliability must first be addressed to successfully fulfill this vision. Machine intelligence can greatly reduce the reliance on human operators and enable efficient operations for tasks such as scheduling and network management. The application of machine learning, artificial intelligence, and other automated decision-making techniques can be used to allow network nodes to intelligently sense and adapt to changes in the environment such as link disruptions, new nodes joining the network, and support for a diverse range of protocols. Cognitive networking seeks to evolve these technologies into an autonomous system with improved science data return, reliability, and scalability. In this paper, we study three main areas a means to further develop cognitive networking capabilities: networking and flight software development, analysis of wireless data for modeling and simulation, and development of algorithms for a multi-agent system.

Cognitive Networking↗

Towards the Development of a Multi-Agent Cognitive Networking System for the Lunar Environment

This paper details the development of a multi-agent cognitive system intended to optimize networking performance in the lunar environment. NASA’s current concept of the future of lunar communication, LunaNet, outlines a complex network of networks. Challenges such as scalability, interoperability and reliability must first be addressed to successfully fulfill this vision. Machine intelligence can greatly reduce the reliance on human operators and enable efficient operations for tasks such as scheduling and network management. The application of machine learning, artificial intelligence, and other automated decision-making techniques can be used to allow network nodes to intelligently sense and adapt to changes in the environment such as link disruptions, new nodes joining the network, and support for a diverse range of protocols. Cognitive networking seeks to evolve these technologies into an autonomous system with improved science data return, reliability, and scalability. In this paper, we study three main areas a means to further develop cognitive networking capabilities: networking and flight software development, analysis of wireless data for modeling and simulation, and development of algorithms for a multi-agent system.

Rachel Dudukovich↗