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At least 937 records · Page 52

Learning to Optimize Variational Quantum Circuits to Solve Combinatorial Problems

Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Furthermore, extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.

97 MATHEMATICS AND COMPUTING↗

Climate-linked mechanisms driving spatial and temporal variation in eelgrass (Zostera marina L.) growth and assemblage structure in Pacific Northwest estuaries, USA

Using laboratory experiments on temperature and leaf metabolism, and field data sets from Washington, between 1991 and 2013, we developed lines of evidence showing that variations in water temperature, mean sea level, and desiccation stress appear to drive spatial and temporal variations in eelgrass (Zostera marina).

Thom, Ronald M.↗

Variation in Biomass Composition Components among Forage, Biomass, Sorghum-Sudangrass, and Sweet Sorghum Types

Alternative biomass sources must be developed if the United States is to meet the goal in the U.S. Energy Security Act of 2007 to derive 30% of its petroleum from renewable sources, and several different biomass crops are currently in development. Sorghum [Sorghum bicolor (L.) Moench] is one such crop that will be an important feedstock source for biofuel production. As composition influences productivity, there exists a need to understand the range in composition observed within the crop. The goal of this research was to assess the range in dietary fiber composition observed within different types of biomass sorghums. A total of 152 sorghum samples were divided into the four end-use types of sorghum: biomass, forage, sorghum-sudangrass, and sweet. These samples were analyzed chemically using dietary fiber analysis performed at the National Renewable Energy Laboratory using published protocols. Significant variation among the groups was detected for glucan and ash. Positive and highly significant correlations were detected between structural carbohydrates in the biomass and sweet sorghums while many of these correlations were negative or not significant in the forage and sorghum-sudangrass types. In addition, a wide range of variation was present within each group indicating that there is potential to manipulate the composition of the crop.

02 PETROLEUM↗

Entropy-Bayesian Inversion of Time-Lapse Tomographic GPR data for Monitoring Dielectric Permittivity and Soil Moisture Variations

In this study, we evaluate the possibility of monitoring soil moisture variation using tomographic ground penetrating radar travel time data through Bayesian inversion, which is integrated with entropy memory function and pilot point concepts, as well as efficient sampling approaches. It is critical to accurately estimate soil moisture content and variations in vadose zone studies. Many studies have illustrated the promise and value of GPR tomographic data for estimating soil moisture and associated changes, however, challenges still exist in the inversion of GPR tomographic data in a manner that quantifies input and predictive uncertainty, incorporates multiple data types, handles non-uniqueness and nonlinearity, and honors time-lapse tomograms collected in a series. To address these challenges, we develop a minimum relative entropy (MRE)-Bayesian based inverse modeling framework that non-subjectively defines prior probabilities, incorporates information from multiple sources, and quantifies uncertainty. The framework enables us to estimate dielectric permittivity at pilot point locations distributed within the tomogram, as well as the spatial correlation range. In the inversion framework, MRE is first used to derive prior probability distribution functions (pdfs) of dielectric permittivity based on prior information obtained from a straight-ray GPR inversion. The probability distributions are then sampled using a Quasi-Monte Carlo (QMC) approach, and the sample sets provide inputs to a sequential Gaussian simulation (SGSim) algorithm that constructs a highly resolved permittivity/velocity field for evaluation with a curved-ray GPR forward model. The likelihood functions are computed as a function of misfits, and posterior pdfs are constructed using a Gaussian kernel. Inversion of subsequent time-lapse datasets combines the Bayesian estimates from the previous inversion (as a memory function) with new data. The memory function and pilot point design takes advantage of the spatial-temporal correlation of the state variables. We first apply the inversion framework to a static synthetic example and then to a time-lapse GPR tomographic dataset collected during a dynamic experiment conducted at the Hanford Site in Richland, WA. We demonstrate that the MRE-Bayesian inversion enables us to merge various data types, quantify uncertainty, evaluate nonlinear models, and produce more detailed and better resolved estimates than straight-ray based inversion; therefore, it has the potential to improve estimates of inter-wellbore dielectric permittivity and soil moisture content and to monitor their temporal dynamics more accurately.

58 GEOSCIENCES↗

Entropy-Bayesian Inversion of Time-Lapse Tomographic GPR data for Monitoring Dielectric Permittivity and Soil Moisture Variations

In this study, we evaluate the possibility of monitoring soil moisture variation using tomographic ground penetrating radar travel time data through Bayesian inversion, which is integrated with entropy memory function and pilot point concepts, as well as efficient sampling approaches. It is critical to accurately estimate soil moisture content and variations in vadose zone studies. Many studies have illustrated the promise and value of GPR tomographic data for estimating soil moisture and associated changes, however, challenges still exist in the inversion of GPR tomographic data in a manner that quantifies input and predictive uncertainty, incorporates multiple data types, handles non-uniqueness and nonlinearity, and honors time-lapse tomograms collected in a series. To address these challenges, we develop a minimum relative entropy (MRE)-Bayesian based inverse modeling framework that non-subjectively defines prior probabilities, incorporates information from multiple sources, and quantifies uncertainty. The framework enables us to estimate dielectric permittivity at pilot point locations distributed within the tomogram, as well as the spatial correlation range. In the inversion framework, MRE is first used to derive prior probability density functions (pdfs) of dielectric permittivity based on prior information obtained from a straight-ray GPR inversion. The probability distributions are then sampled using a Quasi-Monte Carlo (QMC) approach, and the sample sets provide inputs to a sequential Gaussian simulation (SGSIM) algorithm that constructs a highly resolved permittivity/velocity field for evaluation with a curved-ray GPR forward model. The likelihood functions are computed as a function of misfits, and posterior pdfs are constructed using a Gaussian kernel. Inversion of subsequent time-lapse datasets combines the Bayesian estimates from the previous inversion (as a memory function) with new data. The memory function and pilot point design takes advantage of the spatial-temporal correlation of the state variables. We first apply the inversion framework to a static synthetic example and then to a time-lapse GPR tomographic dataset collected during a dynamic experiment conducted at the Hanford Site in Richland, WA. We demonstrate that the MRE-Bayesian inversion enables us to merge various data types, quantify uncertainty, evaluate nonlinear models, and produce more detailed and better resolved estimates than straight-ray based inversion; therefore, it has the potential to improve estimates of inter-wellbore dielectric permittivity and soil moisture content and to monitor their temporal dynamics more accurately.

Bayesian Inversion↗

Hierarchical Cluster Analysis of Service Usage and Geographic Variation in Medicare Spending

Per capita Medicare spending varies considerably throughout the Unites States, even after taking into account factors such as cost of living and pre-existing conditions of the Medicare populations. Additionally, per capita spending may vary up to four times as much under Medicare as it does under private insurance. Several studies have explored the Medicare-costs differences between regions with respect to how Medicare services are used. The recent public release of a large, relatively fine-grained set of Medicare data over four annual periods (2007–2010) by the Centers for Medicare and Medicaid Services (CMS), allowed us to perform a broad-scale exploratory analysis of Medicare service-usage patterns. The CMS data set contains data on the Health Care Referral Region level, which subsets the United States into 306 distinct regions. To identify potential trends in service usage over these regions, we used hierarchical agglomerative cluster analysis (HACA) to group regions into clusters based on similarity of service-usage patterns. Much previous work on the subject of cost variation starts with analysis of cost. By beginning with service-usage data, HACA effectively uncoupled patterns of service-usage from overall patterns of cost. We found that while some Medicare services were used in a fairly consistent manner over all clusters, other services varied considerably. Variation in how frequently services are used may provide insight into practices that are particularly expensive or particularly cost effective. It also may be possible to develop recommendations for more cost-efficient high-quality medical care by taking such information into account. In addition, the variance among the frequencies with which some services are used may point to inconsistent standards of medical practice that are not necessarily directly reflected in total cost, or to more deeply underlying geographic or demographic factors that are not necessarily reflected directly in total cost.

Vacha, Linnet↗

Analysis of Spectral Variation in Background Gamma Radiation at U.S. Ports of Entry

This project exists to improve the ability to detect nuclear material crossing the borders. The purpose of my portion of this project was to analyze spectral variations of backgrounds measured by radiation portal monitor detectors at ports of entry using available data to determine whether or not the measured background variation includes changes in the spectral shape in addition to changes in the gross counts.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Enabling Predictive Simulation and UQ of Complex Multiphysics PDE Systems by the Development of Goal-Oriented Variational Sensitivity Analysis and a-Posteriori Error Estimation Methods

This project addressed the challenge of predictive computational analysis of strongly coupled, highly nonlinear multiphysics systems characterized by multiple physical phenomena that span a large range of length- and time-scales. Specifically, the project was focused on computational estimation of numerical error and sensitivity analysis of computational solutions with respect to variations in parameters and data. In addition, the project investigated the use of accurate computational estimates to guide efficient adaptive discretization. The project developed, analyzed and evaluated new variational adjoint-based techniques for integration, model, and data error estimation/control and sensitivity analysis, in evolutionary multiphysics multiscale simulations.

97 MATHEMATICS AND COMPUTING↗

Detection of Historical and Future Precipitation Variations and Extremes Over the Continental United States

Problem: The overall goal of this proposal is to detect observed seasonal-mean precipitation variations and extreme event occurrences over the United States. Detection, e.g. the process of demonstrating that an observed change in climate is unusual, first requires some means of estimating the range of internal variability absent any external drivers. Ideally, the internal variability would be derived from the observations themselves, however generally the observed variability is a confluence of both internal variability and variability in response to external drivers. Further, numerical climate models—the standard tool for detection studies—have their own estimates of intrinsic variability, which may differ substantially from that found in the observed system as well as other model systems. These problems are further compounded for weather and climate extremes, which as singular events are particularly ill-suited for detection studies because of their infrequent occurrence, limited spatial range, and underestimation within global and even regional numerical models. Rationale: As a basis for this research we will show how stochastic daily-precipitation models—models in which the simulated interannual-to-multidecadal precipitation variance is purely the result of the random evolution of daily precipitation events within a given time period—can be used to address many of these issues simultaneously. Through the novel application of these well-established models, we can first estimate the changes/trends in various means and extremes that can occur even with fixed daily-precipitation characteristics, e.g. that can occur simply as a result of the stochastic evolution of daily weather events within a given climate. Detection of a change in the observed climate—either naturally or anthropogenically forced—can then be defined as any change relative to this stochastic variability, e.g. as changes/trends in the means and extremes that could only have occurred through a change in the underlying climate. As such, this method is capable of detecting “hot spot” regions—as well as “flare ups” within the hot spot regions—that have experienced interannual to multi-decadal scale variations and trends in seasonal-mean precipitation and extreme events. Further by applying the same methods to numerical climate models we can discern the fidelity of the current-generation climate models in representing detectability within the observed climate system. In this way, we can objectively determine the utility of these model systems for performing detection studies of historical and future climate change.

54 ENVIRONMENTAL SCIENCES↗

Gauging Variational Inference

Computing partition function is the most important statistical inference task arising in applications of Graphical Models (GM). Since it is computationally intractable, approximate methods have been used to resolve the issue in practice, where meanfield (MF) and belief propagation (BP) are arguably the most popular and successful approaches of a variational type. In this paper, we propose two new variational schemes, coined Gauged-MF (G-MF) and Gauged-BP (G-BP), improving MF and BP, respectively. Both provide lower bounds for the partition function by utilizing the so-called gauge transformation which modifies factors of GM while keeping the partition function invariant. Moreover, we prove that both G-MF and G-BP are exact for GMs with a single loop of a special structure, even though the bare MF and BP perform badly in this case. Our extensive experiments, on complete GMs of relatively small size and on large GM (up-to 300 variables) confirm that the newly proposed algorithms outperform and generalize MF and BP.

97 MATHEMATICS AND COMPUTING↗

Accelerated Simulation of Kinetic Transport Using Variational Principles and Sparsity

This project is centered on the development and application of techniques of sparsity and compressed sensing for variational principles, PDEs and physics problems, in particular for kinetic transport. This included derivation of sparse modes for elliptic and parabolic problems coming from variational principles. The research results of this project are on methods for sparsity in differential equations and their applications and on application of sparsity ideas to kinetic transport of plasmas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Observation of multiple-muon seasonal variations in the NOνA Near Detector

The interaction of a cosmic ray particle with an element of the atmosphere results in a cascade of particles, known as extensive air showers, which can be divided into three main branches, known as the hadronic, the electromagnetic, and the muonic component. As for the latter, since muons can reach high depths underground, they are generally used to study cosmic rays at different underground depths. The dynamics of extensive air showers is directly connected to the density of the atmosphere, as it defines the probability of particles to decay or interact. As muons are mainly produced from the decay of pions and kaons, and a warmer atmosphere results in higher number of meson decays, such particles are prone to suffer a seasonality effect that is directly correlated to the yearly seasonal variations of the atmosphere, an effect that has been verified by a large number of experiments over the past six decades. In 2015 the MINOS experiment presented an anti-correlation between the effective temperature of the atmosphere and the seasonality of the muon flux for multiplicities higher than one (i.e. more than one muon track per cosmic ray event). Said anti-correlation is not yet fully understood, counting with only a qualitative hypothesis as a probable mechanism. As such, the main goals of this study are to verify the MINOS anti-correlation effect and extend the study to verify the seasonality of the effect as a function of different variables in order to improve the understanding of the phenomenon and possible corroborations with the known hypothesis. Two full years of the NO$\nu$A Near Detector, ranging from April 2015 to April 2017, were used as the dataset for the analysis. The anti-correlation between the multiple muon flux and the effective temperature of the atmosphere is confirmed by the NO$\nu$A Near Detector, being in full agreement with the results presented by the MINOS Collaboration. The seasonal effect is also broken down by different variables: i) track separation, ii) zenith angle, iii) track angular separation, and iv) multiplicity. Different regions of these variables represent different energy ranges for the detected underground muons, their hadron parents or the primary particles that originated the cosmic ray shower, being a way to verify any particular dependency with energy. The results show that there are no clear trends in any of the studied variables, except for the multiplicity, in which the intensity of the seasonal variation increases for higher multiplicities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding the Response of Photosynthetic Metabolism in Tropical Forests to Seasonal Climate Variations

We propose a study focused on the basic question: What controls the response of photosynthesis in Amazonian forests to seasonal variations in climate? This question, despite its apparent simplicity, remains difficult for modern earth system models to answer, and is also the subject of continuing controversy in the remote-sensing literature. For example, in the modeling arena, four cutting-edge earth system models (ESM’s) show significant divergence in their seasonal patterns of photosynthesis from observed whole-system photosynthetic fluxes at two sites in the central Amazon. The overall objective of the project is to guide improvements in earth system models of tropical forest photosynthesis by collecting and integrating a suite of observations to 1) test several hypotheses (three core, conceptual hypotheses for explaining observed photosynthetic seasonality and a methodological hypotheses for scaling from leaves to canopy with hyperspectral cameras), and 2) perform a synthesis activity that applies our empirical work to earth system models of terrestrial carbon cycling. The project will provide an extensive suite of new and unique datasets that enable us to fill, through advanced modeling techniques and analysis, critical knowledge gaps in current understanding of what controls the response of canopy photosynthesis and related functions in Amazonian forests to seasonal variation in climate. Three major types of datasets and data products will be delivered: (1) in situ leaf and tree-scale measurements from intensive ecophysiological and ecohydological field campaigns, (2) time-series observations of leaf-to-crown scale forest reflectance properties and atmospheric radiation from two innovative, ground-based imaging sensors (respectively, the Hyperspectral Vegetation Imaging System and the High Dynamic Range All-Sky Imaging System), and (3) results from state-of-the-art models of 3-dimensional canopy processes for radiative transfer and photosynthesis that integrate and link our observations to tropical forest processes. These data products and the improved knowledge we achieve with them will contribute to testing and improving the treatment of tropical forest processes in ESMs. They will contribute data to and leverage related data from of the GOAmazon campaign, and make significant contributions to support the overall goals of GOAmazon. This work will also help establish a foundation for the Next Generation Ecosystem Experiments (NGEE) in the Tropics.

54 ENVIRONMENTAL SCIENCES↗

Temporal and Spatial Variations in Sound Produced by a Wave Energy Converter

Temporal and Spatial Variations in Sound Produced by a Wave Energy Converter: Sound produced by wave energy converters may affect marine mammal behavior and information is limited, so this study was done to ensure sound levels do not exceed agreed thresholds. Acoustic measurements of the WEC included the type of sound produced, the variation of sound vary in space, and in time. With the NWEI Azura, the primary mechanism for sound production was the hydraulic generator, with secondary production from wave interaction, and primarily produced sound at frequencies less than 3 kHz. From further research efforts at the Navy's Wave Energy Test Site (WETS) in Hawaii, acoustic measurements indicated that the sound from individualWEC devices is of limited environmental consequence, with the intensity and frequencies of sound well below those produced by recreational watercraft and ocean-going container vessels at a range of several hundred meters. As expected for this scale of WEC, no operating states have been identified under which the acoustic emissions exceed regulatory thresholds.

16 TIDAL AND WAVE POWER↗

Beam Envelope Variation due to Space-Charge Neutralization

Our non-invasive, time-resolved diamagnetic loop measurements of beam size during the electron current-pulse flattop at the exit of our 20-MeV linear induction accelerator revealed that the beam size varied by about 13% during the current flattop. This was an unexpected result, since both current and energy were constant during the interval of radius variation. One possible cause, poor vacuum, was investigated using a time resolved envelope equation. It was found that sufficiently high residual-gas pressure in the downstream transport region could result in the observed variation.

43 PARTICLE ACCELERATORS↗

Characterizing the Variation and Covariation of Cloud Microphysical Properties and Implications for Simulation of Subgrid-scale Warm-Rain Processes in Earth System Models (Final DOE-ASR Report)

Warm marine boundary layer (MBL) clouds constitute an important component in the global climate system, and precipitation plays a central role in controlling the water budget, radiative effects, and lifetime of these MBL clouds. Unfortunately, because of the relatively coarse effective grid resolution of the current generation of Earth system models (ESMs), the variety of cloud microphysical processes occurring inside an ESM grid cell are often oversimplified or unconstrained by observations. For example, the warm rain processes (e.g., autoconversion and accretion) are usually parameterized as nonlinear functions of grid-mean cloud properties. Because of the nonlinear nature of these functions, neglecting variability within the ESM grid volume can lead to substantial biases in precipitation production, cloud cover, and surface radiative fluxes. In state-of-the art ESMs, the influence of subgrid-scale variability is represented as an enhancement factor (EF) coefficient to the autoconversion, and accretion rates calculated from the model variables. However, EF is typically taken to be a constant or even used as a knob to tune model cloud properties to match observations, an ad hoc approach that may yield a desired cloud outcome yet introduce compensating errors. In this project, we used the combination of in situ cloud microphysics measurements from the ACE-ENA field campaign and large-eddy simulations (LES) to characterize and understand subgrid-scale variations and co-variations of cloud microphysical properties and use the results to evaluate and improve the representation of subgrid warm-rain processes in ESMs, in particular the EF used to tune the autoconversion and accretion processes. In this final report, we summarize our research activities and main findings in Section 2, provide a list of publications (Section 3) and presentations (Section 4) resulted from our research, and briefly discuss the student activities supported by this project.

54 ENVIRONMENTAL SCIENCES↗

Compositional Variation Tests on DuraMelter 100 with LAW Sub-Envelope A1 Feed (LAWA44 Glass) in Support of the LAW Pilot Melter, VSL-02R62N0-4, Rev. 0 (Nov 2002)

The two tests described in this report utilized blended feed (glass formers plus waste simulant) prepared by Optima Chemicals according to VSL specifications generating about 1. 7 metric tons of glass. Sugar was added (at VSL) to the nominal feed at a "sugar ratio" of 0.5 for each of the two variation tests1; however, since the sugar addition is assumed to be "blind" to the variations, the actual sugar ratios were 0.57 and 0.44. The DMl00-WV melter was used in order to provide a direct comparison with the LAW tests previously conducted on the same melter. Two 100-hour melter tests were conducted: one with a 15% deficiency in simulant and one with 15% excess in simulant. Key operating parameters including cold cap coverage, feed rate, and glass pool temperature were held constant to investigate the effects of the glass compositional changes on processing characteristics (including salt formation) and the product glass. The bubbling rate was adjusted to provide the desired glass production rate with a near complete cold cap (90-100% of melt surface covered with feed). Quantitative measurements of glass production rates, melter operating conditions (temperatures, pressures, power, flows, etc.), and off-gas characteristics (NOx, SO 2, CO, particulate load and composition, and acid gases) were made for each test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗