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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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At least 37 records · Page 2

TNet: A Model-Constrained Tikhonov Network Approach for Inverse Problems

Deep learning (DL), in particular deep neural networks, by default is purely data-driven and in general does not require physics. This is the strength of DL but also one of its key limitations when applied to science and engineering problems in which underlying physical properties—such as stability, conservation, and positivity—and accuracy are required. DL methods in their original forms are often not capable of respecting the underlying mathematical models or achieving desired accuracy even in big-data regimes. On the other hand, many data-driven science and engineering problems, such as inverse problems, typically have limited experimental or observational data, and DL would overfit the data in this case. Leveraging information encoded in the underlying mathematical models, we argue, not only compensates for missing information in low data regimes but also provides opportunities to equip DL methods with the underlying physics, hence promoting better generalization. This paper develops a model-constrained DL approach and its variant TNet—a Tikhonov neural network—which are capable of learning not only information hidden in the training data but also in the underlying mathematical models to solve inverse problems governed by partial differential equations in low data regimes. We provide the constructions and some theoretical results for the proposed approaches for both linear and nonlinear inverse problems. Since TNet is designed to learn inverse solutions with Tikhonov regularization, it is interpretable: in fact it recovers Tikhonov solutions for linear cases while potentially approximating Tikhonov solutions for nonlinear inverse problems. We also prove that data randomization can enhance not only the smoothness of the networks but also their generalizations. Comprehensive numerical results confirm the theoretical findings and show that with even as little as 1 training data sample for one-dimensional (1D) deconvolution, 5 for an inverse 2D heat conductivity problem, 100 for inverse initial conditions for a time-dependent 2D Burgers’s equation, and 50 for inverse initial conditions for 2D Navier–Stokes equations, TNet solutions can be as accurate as Tikhonov solutions while being several orders of magnitude faster. Furthermore, this is possible owing to the model-constrained term, replications, and randomization.

97 MATHEMATICS AND COMPUTING↗

Combining Generative Modeling and Advanced Control for Building Scenario Generation

Buildings make up a large portion of energy consumption in the U.S. today. Understanding their energy consumption patterns can improve their efficiency, but requires detailed models that rely on incomplete or unknown information. Previous work has shown that artificial intelligence (AI) can be used to predict missing information and even suggest upgrades to improve building efficiency. However, building upgrades may require undesirable upfront costs. Oppositely, advanced control could improve building efficiency with negligible upfront cost. To explore the tradeoffs between these two approaches, in this work we propose a workflow to compute optimal temperature setpoint schedules to minimize energy consumption and operational cost. Results show that modifying the temperature setpoints in a building using model predictive control (MPC) can effectively reduce its energy consumption and operational cost. This optimal operation cannot fully meet a desired goal. However, we show that by considering MPC in addition to component upgrades, a desired goal can be met with significantly less upfront costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Documentation: No Substitute for Communication

SO WHAT IS AN RFI? IT WAS ONE OF THE FIRST THINGS I learned about back when I started my project management career with my first large construction firm. I learned how to use these forms as a convenient and effective means of documenting the many legitimate clarifications needed on a major project. However, like most other young engineers, I also learned to use the RFI as a weapon in the ongoing battle between owners. or their designer and the construction contractors. Recently, our project team has done a few simple things to greatly reduce the waste and frustration that comes from this type of battle. The RFI form can be a great tool if used properly, and I certainly don t recommend that they be eliminated entirely. The RFI form was created to document the many clarifications that are commonly required on projects. Typically, the contractor uses the top half of the form to clarify-or request permission to vary from-the contract documents. The bottom half of the form is used to record the answer. But this seemingly simple process is plagued by a number of problems. From the contractor s perspective, RFIs are needed to secure information that should have been in the contract documents in the first place. The missing information keeps their crews from working effectively, and it makes hitting already demanding cost and schedule targets even more difficult. Owners, or their design firms, often view the RFI as a means of harassment. Both sides of the issue have legitimate complaints, and both sides cause most of their own pain.

Strickland, John↗

Nuclear Forensics Analysis with Missing and Uncertain Data

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained by replacing missing information with constant values.

97 MATHEMATICS AND COMPUTING↗

Predicting Large‐Scale Systematic Missing Pipe Attributes in Water Distribution Networks

Water distribution network (WDN) models are an essential tool used by water utilities for hydraulic analysis. Unfortunately, missing data and insufficient resources often make creating and maintaining these models unfeasible. Existing methods to address missing pipe properties, like sequential imputation for missing values and reconstruction using graph metrics, are designed to accommodate random patterns of missing information and require a significant percentage of the system's attributes to be known. However, these data completeness assumptions do not always align with real‐world scenarios where large sections of the WDN model have missing data. To address this challenge, this study proposes a data‐driven approach for estimating pipe diameter when considering different spatial patterns and degrees of data completeness (i.e., 0%–90%). Using data from 16 WDNs in Kentucky, this study compares the use of machine learning (ML) using topological and geospatial features against an existing deterministic approach. Results demonstrate that WDN models with pipe diameters predicted by the proposed ML method had comparable hydraulic performance to the ground truth models. Moreover, results showed that ML method performance varies between WDNs of differing topological classification. Insights from this study help advance the ability to leverage partial data to create and maintain WDN models amid uncertainty and inadequate resources.

Poff, Jason W. [Oregon State Univ., Corvallis, OR ↗

A General Spatiotemporal Imputation Framework for Missing Sensor Data

Many applications from precision agriculture, environmental monitoring and transportation networks rely on data collected across space and time over a large geographic area. Missing data poses a significant challenge for any data-driven inference and control tasks. Data imputation or the estimation of missing data can help fill these gaps by utilizing inherent spatial relationships and temporal patterns. A variety of spatiotemporal imputation models have been developed to address missing data in spatiotemporal datasets. However, these classical methods rely on the assumption that the underlying data follows a smooth trend and fail to provide accurate estimates when there is a large number of missing points in the data. Even though there are machine learning driven tensor completion approaches such as convolutional neural network based tensor completion (CoSTCo) that capture the non-linear relationships in the dataset, the transductive nature makes the algorithm less scalable. Thus, existing approaches for estimating the missing information do not effectively capture all dimensions of the spatiotemporal data structure, resulting in erroneous predictions and poor performance. The main contributions of this paper are: (1) We propose a novel inductive framework (G-LSTM) for missing data imputation that integrates a graph neural network with LSTMs to effectively capture both spatial and temporal dependencies. (2) Experimental results on a traffic dataset demonstrate that the proposed GNN integrated with an LSTM framework achieves improved imputation and maintains steady performance even when there are extreme missing conditions in comparison with the state-of-the-art imputation framework (i.e, CoSTCo). (3) The simulation results on a traffic network show up to 69% reduction in mean absolute error and 61% reduction in root mean square error when compared to CoSTCo.

Tharzeen, Aabila↗

Multi-Omics integration can be used to rescue metabolic information for some of the dark region of the Pseudomonas putida proteome

In every omics experiment, genes or their products are identified for which even state of the art tools are unable to assign a function. In the biotechnology chassis organism Pseudomonas putida, these proteins of unknown function make up 14% of the proteome. This missing information can bias analyses since these proteins can carry out functions which impact the engineering of organisms. As a consequence of predicting protein function across all organisms, function prediction tools generally fail to use all of the types of data available for any specific organism, including protein and transcript expression information. Additionally, the release of Alphafold predictions for all Uniprot proteins provides a novel opportunity for leveraging structural information. We constructed a bespoke machine learning model to predict the function of recalcitrant proteins of unknown function in Pseudomonas putida based on these sources of data, which annotated 1079 terms to 213 proteins. Among the predicted functions supplied by the model, we found evidence for a significant overrepresentation of nitrogen metabolism and macromolecule processing proteins. These findings were corroborated by manual analyses of selected proteins which identified, among others, a functionally unannotated operon that likely encodes a branch of the shikimate pathway.

60 APPLIED LIFE SCIENCES↗

FAST $\mathrm{G}$ AP $\mathrm{F}$ ILL : efficient gap filling in metabolic networks

Genome-scale metabolic reconstructions summarize current knowledge about a target organism in a structured manner and as such highlight missing information. Such gaps can be filled algorithmically. Scalability limitations of available algorithms for gap filling hinder their application to compartmentalized reconstructions. We present fastGapFill, a computationally efficient tractable extension to the COBRA toolbox that permits the identification of candidate missing knowledge from a universal biochemical reaction database (e.g. Kyoto Encyclopedia of Genes and Genomes) for a given (compartmentalized) metabolic reconstruction. The stoichiometric consistency of the universal reaction database and of the metabolic reconstruction can be tested for permitting the computation of biologically more relevant solutions. We demonstrate the efficiency and scalability of fastGapFill on a range of metabolic reconstructions.

59 BASIC BIOLOGICAL SCIENCES↗

Comprehensive amplitude analysis of γ γ → π + π - , π 0 π 0 and K ¯ K below 1.5 GeV

In this paper we perform an amplitude analysis of essentially all published pion and kaon pair production data from two photon collisions below 1.5 GeV. This includes all the high statistics results from Belle, as well as older data from Mark II at SLAC, CELLO at DESY, Crystal Ball at SLAC. The purpose of this analysis is to provide as close to a model-independent determination of the γγ to meson pair amplitudes as possible. Having data with limited angular coverage, typically |cosθ| < 0.6-0.8, and no polarization information for reactions in which spin is an essential complication, the determination of the underlying amplitudes might appear an intractable problem. However, imposing the basic constraints required by analyticity, unitarity, and crossing-symmetry makes up for the experimentally missing information. Above 1.5 GeV multi-meson production channels become important and we have too little information to resolve the amplitudes. Nevertheless, below 1.5 GeV the two photon production of hadron pairs serves as a paradigm for the application of S-matrix techniques. Final state interactions among the meson pairs is critical to this analysis. To fix these, we include the latest ππ → ππ, K⁻K scattering amplitudes given by dispersive analyses, supplemented in the K⁻K threshold region by the recent precision Dalitz plot analysis from BaBar. With these hadronic amplitudes built into unitarity, we can constrain the overall description of γγ → ππ and K⁻K datasets, both integrated and differential cross-sections, including the high statistics charged and neutral pion data from Belle. A region of solutions is found for the γγ → ππ partial waves with both isospin 0 and 2. Since this analysis invokes coupled hadronic channels, even the relatively poor integrated cross-section data on γγ → K⁻K narrows the patch of solutions to essentially a single form. For this we present the complete partial wave amplitudes, show how well they fit all the available data, and give the two photon couplings of scalar and tensor resonances that appear.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Introducing a multiscale feature integration network for inpainting with applications to enhanced CMB map reconstruction

We introduce a novel neural network, SkyReconNet, which combines the expanded receptive fields of dilated convolutional layers along with standard convolutions, to capture both the global and local features for reconstructing the missing information in an image. We implement our network to inpaint the masked regions in a full-sky cosmic microwave background (CMB) map. Inpainting CMB maps is a particularly formidable challenge when dealing with extensive and irregular masks, such as galactic masks which can obscure substantial fractions of the sky. The hybrid design of SkyReconNet leverages the strengths of standard and dilated convolutions to accurately predict CMB fluctuations in the masked regions by effectively utilizing the information from surrounding unmasked areas. During training, the network optimizes its weights by minimizing a composite loss function that combines the structural similarity index measure (SSIM) and mean squared error (MSE). SSIM preserves the essential structural features of the CMB, ensuring an accurate and coherent reconstruction of the missing CMB fluctuations, while MSE minimizes the pixelwise deviations, thus enhancing the overall accuracy of the predictions. The predicted CMB maps and their corresponding angular power spectra align closely with the targets, achieving the performance limited only by the fundamental uncertainty of cosmic variance. The network’s generic architecture enables application to other physics-based challenges involving data with missing or defective pixels, systematic artifacts, etc. In conclusion, our results demonstrate its effectiveness in addressing the challenges posed by large irregular masks, offering a significant inpainting tool not only for CMB analyses but also for image-based experiments across disciplines where such data imperfections are prevalent.

Cosmic microwave background↗

SU-D-12A-01: An Inter-Projection Interpolation (IPI) Approach for the Synchronized Moving Grid (SMOG) to Reduce Dose in Cone Beam CT

Purpose: Synchronized moving grid is a promising technique to reduce scatter and ghost artifacts in cone beam computed tomography (CBCT). However, it requires 2 projections in the same gantry angle to obtain full information due to signal blockage by the grid. We proposed an inter-projection interpolation (IPI) method to estimate blocked signals, which may reduce the scan time and the dose. This study aims to provide a framework to achieve a balance between speed, dose and image quality. Methods: The IPI method is based on the hypothesis that an abrupt signal in a projection can be well predicted by the information in the two immediate neighboring projections if the gantry angle step is small. The study was performed on a Catphan and a head phantom. The SMOG was simulated by erasing the information (filling with “0”) of the areas in each projection corresponding to the grid. An IPI algorithm was applied on each projection to recover the erased information. FDK algorithm was used to reconstruct CBCT images for the IPI-processed projections, and compared with the original image in term of signal to noise ratio (SNR) measured in the whole reconstruction image range. The effect of gantry angle step was investigated by comparing the CBCT images from projection sets of various gantry intervals, with IPI-predicted projections to fill the missing projection in the interval. Results: The IPI procession time was 1.79s±0.53s for each projection. SNR after IPI was 29.0db and 28.1db for the Catphan and head phantom, respectively, comparing to 15.3db and 22.7db for an inpainting based interpolation technique. SNR was 28.3, 28.3, 21.8, 19.3 and 17.3 db for gantry angle intervals of 1, 1.5, 2, 2.5 and 3 degrees, respectively. Conclusion: IPI is feasible to estimate the missing information, and achieve an reasonable CBCT image quality with reduced dose and scan time. This study is supported by NIH/NCI grant 1R01CA166948-01.

60 APPLIED LIFE SCIENCES↗

Remote Sensing the Vertical Profile of Cloud Droplet Effective Radius, Thermodynamic Phase, and Temperature

Cloud-aerosol interaction is a key issue in the climate system, affecting the water cycle, the weather, and the total energy balance including the spatial and temporal distribution of latent heat release. Information on the vertical distribution of cloud droplet microphysics and thermodynamic phase as a function of temperature or height, can be correlated with details of the aerosol field to provide insight on how these particles are affecting cloud properties and their consequences to cloud lifetime, precipitation, water cycle, and general energy balance. Unfortunately, today's experimental methods still lack the observational tools that can characterize the true evolution of the cloud microphysical, spatial and temporal structure in the cloud droplet scale, and then link these characteristics to environmental factors and properties of the cloud condensation nuclei. Here we propose and demonstrate a new experimental approach (the cloud scanner instrument) that provides the microphysical information missed in current experiments and remote sensing options. Cloud scanner measurements can be performed from aircraft, ground, or satellite by scanning the side of the clouds from the base to the top, providing us with the unique opportunity of obtaining snapshots of the cloud droplet microphysical and thermodynamic states as a function of height and brightness temperature in clouds at several development stages. The brightness temperature profile of the cloud side can be directly associated with the thermodynamic phase of the droplets to provide information on the glaciation temperature as a function of different ambient conditions, aerosol concentration, and type. An aircraft prototype of the cloud scanner was built and flew in a field campaign in Brazil.

Martins, J. V.↗

Community Energy by Design: A Simulation-Based Design Workflow Using Measured Data Clustering to Calibrate Urban Building Energy Models (UBEMs)

This paper presents a workflow that informs urban design decisions using measured data clustering to calibrate urban building energy models. The method's goal is to support urban design in terms of form, building systems configurations, as well as influencing user behavior aspects in the built environment through a systemic analysis of measured data to develop reliable future-case design scenario energy models. Detailed data on appliance-level electricity use are employed via data clustering to calibrate a urban building energy model for the Mueller community in Austin, TX, USA. The data were collected by the Pecan Street Institute for a year in 2014 from consumers in Austin and other surrounding cities. First, collected energy data were restructured and cleaned from corrupt and/or missing information. Second, in order to identify common energy use patterns, a model-based clustering algorithm for functional data was applied. Behavioral/usage profiles are determined through clustering and translated into usage schedules and behaviors. As a result, an urban building energy model built in the urban modeling interface (umi) was calibrated, with fully calibrated and semi-calibrated buildings, within a maximum calibration error margin of 14% for daily-scale averages. Finally, an illustration of calibrated-urban building energy model design case scenarios is presented, and implications on community energy potential effects are discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ligand-Size Related Dimensionality Control in Metal Halide Perovskites

Low-dimensional organic–inorganic hybrid perovskites have triggered many fundamental research studies due to their intrinsic tunable photovoltaic properties, technologically relevant stability, and promising efficiency. However, there is limited information on how ligand size influences inherent structural and electronic properties of perovskites. In order to gain deeper understanding of ligand-size related structural and film properties, we fabricated a series of (L) 2 (MA) n-1 PbnI 3n+1 materials by introducing organic spacer ligands of n-CH 3 CH 2 NH 3 (EA), n-CH 3 (CH 2 ) 2 NH 3 (PA), and n-CH 3 (CH 2 ) 3 NH 3 (BA) into the three-dimensional (3D) methylammonium (MA) lead iodide (MAPbI 3 ) system with the same inorganic layer thickness (average $\langle$n$\rangle$ = 4). Here, we demonstrate that the increased number of carbon atoms on ligands affects compatibility of ligands with the 3D [PbI 6 ] 4– framework, leading to different structural dimensionality and crystal orientation, largely explaining different electronic properties, crystal stability, and the consequent device performance of solar cells. This work provides key missing information on how ligand size influences structural dimensionality and desirable electronic properties for future stable and efficient solar cells.

36 MATERIALS SCIENCE↗

Russian anthropogenic black carbon: Emission reconstruction and Arctic black carbon simulation

Development of reliable source emission inventories is needed to advance the understanding of the origin of Arctic haze using chemical transport modeling. This paper develops a regional anthropogenic black carbon (BC) emission inventory for the Russian Federation, the largest country by land area in the Arctic Council. Activity data from combination of local Russia information and international resources, emission factors based on either Russian documents or adjusted values for local conditions, and other emission source data are used to approximate the BC emissions. Emissions are gridded at a resolution of 0.1° × 0.1° and developed into a monthly temporal profile. Total anthropogenic BC emission of Russia in 2010 is estimated to be around 224 Gg. Gas flaring, a commonly ignored black carbon source, contributes a significant fraction of 36.2% to Russia's total anthropogenic BC emissions. Other sectors, i.e., residential, transportation, industry, and power plants, contribute 25.0%, 20.3%, 13.1%, and 5.4%, respectively. Three major BC hot spot regions are identified: the European part of Russia, the southern central part of Russia where human population densities are relatively high, and the Urals Federal District where Russia's major oil and gas fields are located but with sparse human population. BC simulations are conducted using the hemispheric version of Community Multi-scale Air Quality Model with emission inputs from a global emission database EDGAR (Emissions Database for Global Atmospheric Research)-HTAPv2 (Hemispheric Transport of Air Pollution) and EDGAR-HTAPv2 with its Russian part replaced by the newly developed Russian BC emissions, respectively. The simulation using the new Russian BC emission inventory could improve 30–65% of absorption aerosol optical depth measured at the AERONET sites in Russia throughout the whole year as compared to that using the default HTAPv2 emissions. At the four ground monitoring sites (Zeppelin, Barrow, Alert, and Tiksi) in the Arctic Circle, surface BC simulations are improved the most during the Arctic haze periods (October–March). The poor performance of Arctic BC simulations in previous studies may be partly ascribed to the Russian BC emissions built on out-of-date and/or missing information, which could result in biases to both emission rates and the spatial distribution of emissions. Finally, this study highlights that the impact of Russian emissions on the Arctic haze has likely been underestimated, and its role in the Arctic climate system needs to be reassessed. The Russian black carbon emission source data generated in this study can be obtained via http://abci.ornl.gov/download.shtml or http://acs.engr.utk.edu/Data.php.

54 ENVIRONMENTAL SCIENCES↗

Schrödinger evolution of two-dimensional black holes

This paper systematically treats the evolving quantum state for two-dimensional black holes, with particular focus on the CGHS model, but also elucidating features generalizing to higher dimensions. This is done in Schrödinger picture(s), to exhibit the dynamic evolution of the state at intermediate times. After a review of classical solutions, also connecting to descriptions of higher-dimensional black holes, it overviews the canonical quantum treatment of the full evolution, including gravitational dynamics. Derived in an approximation to this, following conversion to “perturbation picture”, is the evolution of the quantum matter on the background geometry. Features of the evolving matter state are described, based on choice of a time slicing to put the evolution into ADM form. The choices of slicing as well as coordinates on the slices result in different quantum “pictures” for treating the evolution. If such a description is based on smooth trans-horizon slices, that avoids explicit reference to ultra-planckian modes familiar from traditional treatments, and exhibits the Hawking excitations as emerging from a “quantum atmosphere” with thickness comparable to the inverse temperature. Detailed study of the state exhibits the entanglement structure between Hawking quanta and the partner excitations inside the black hole, and the corresponding “missing information”. This explicit description also allows direct study of the evolution and features, e.g. as seen by infalling observers, of these partner excitations, helping to address various puzzles with them. Explicit treatment of the evolving state, and its extension to higher dimensions, provides further connections to information theory and a starting point for study of corrections that can unitarize evolution, arising from new quantum gravity effects — whether wormholes or something entirely different.

2D Gravity↗