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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 73 records · Page 4

Multivariate Pointwise Information-Driven Data Sampling and Visualization

With increasing computing capabilities of modern supercomputers, the size of the data generated from the scientific simulations is growing rapidly. As a result, application scientists need effective data summarization techniques that can reduce large-scale multivariate spatiotemporal data sets while preserving the important data properties so that the reduced data can answer domain-specific queries involving multiple variables with sufficient accuracy. While analyzing complex scientific events, domain experts often analyze and visualize two or more variables together to obtain a better understanding of the characteristics of the data features. Therefore, data summarization techniques are required to analyze multi-variable relationships in detail and then perform data reduction such that the important features involving multiple variables are preserved in the reduced data. To achieve this, in this work, we propose a data sub-sampling algorithm for performing statistical data summarization that leverages pointwise information theoretic measures to quantify the statistical association of data points considering multiple variables and generates a sub-sampled data that preserves the statistical association among multi-variables. Using such reduced sampled data, we show that multivariate feature query and analysis can be done effectively. The efficacy of the proposed multivariate association driven sampling algorithm is presented by applying it on several scientific data sets.

97 MATHEMATICS AND COMPUTING↗

Stochastic relativistic viscous hydrodynamics from the Metropolis algorithm

We propose an algorithm for simulating stochastic relativistic fluid dynamics based on Metropolis updates. Each step of the algorithm begins with an update based on ideal hydrodynamics. This is followed by proposing random (spatial) momentum transfers between fluid cells, keeping the total energy fixed. These proposals are then accepted or rejected using the change in entropy as a statistical weight. The algorithm reproduces relativistic viscous hydrodynamics in the “density frame,” which is a formulation of viscous hydrodynamics we review and clarify here. This formulation is first order in time and requires no auxiliary dynamical fields such as Π 𝜇⁢𝜈 . The only parameters are the shear and bulk viscosities and the equation of state. Here, by adopting the 3+1 split of general relativity, we extend the Metropolis algorithm to general space-time coordinates, such as Bjorken coordinates, which are commonly used to simulate heavy-ion collisions.

Hydrodynamic noise↗

ARC algorithm: A novel approach to forecast and manage daily electrical maximum demand

This paper proposes an innovative algorithm for predicting short-term electrical maximum demand by using historical demand data. The ability to recognize in peak demand pattern for commercial or industrial customers would propose numerous direct and indirect benefits to the customers and utility providers in terms of demand reduction, cost control, and system stability. Prior works in electrical maximum demand forecasting have been mainly focused on seasonal effects, which is not a feasible approach for industrial manufacturing facilities in short-term load forecasting. The proposed algorithm, denoted as the Adaptive Rate of Change (ARC), determines the logarithmic rate-of-change in load profile prior to a peak by postulating the demand curve as a stochastic, mean-reverting process. The rationale behind this analysis, is that the energy efficient program requires not only demand estimation but also to warn the user of imminent maximum peak occurrence. This paper analyzes demand trend data and incorporates stochastic model and mean reverting half-life to develop an electrical maximum demand forecasting algorithm, which is statistically evaluated by cross-table and F-score for three different manufacturing facilities. Lastly, the aggregate results show an overall accuracy of 0.91 and a F-score of 0.43, which indicates that the algorithm is effective predicting peak demand in predicting peak demand.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Correlated Synthetic Time Series Generation using Fourier and ARMA

As the contribution of renewable energy grows in electricity markets, the complexity nuclear’s place within the energy mix increases, and likewise the need for robust simulation techniques. While decades of wind, solar, and demand pro- files can sometimes be obtained, this is too few samples to provide a statistically meaningful analysis of a system with baseload, peaker, and renewable generation. Synthetic time series generation presents itself as a suitable methodology to meet this need. One approach for synthetic series generation is training a model using Fourier series decomposition for seasonal patterns and Auto-Regressive Moving Average models (ARMA) to describe time-correlated statistical noise about the seasonal patterns. When combined, the Fourier plus ARMA (FARMA) model has been shown to provide an infinite set of independent, identically-distributed sample time series with the same statistical properties as the original data [1]. When considering an energy mix with renewable electricity production, several time series of energy, grid, and weather measurements are needed for each synthetic year modeled to statistically comprehend the efficiency of any given energy mix. These cannot be considered independent series in a given synthetic year. To capture and reproduce the correlations that might exist in the measured histories, the ARMA can further be extended as a Vector ARMA (VARMA). In the VARMA algorithm, covariance in statistical noise is captured both within a history as part of the autoregressive moving average, and with respect to the other variables in the time series. In this work the implementation of the Fourier VARMA in the RAVEN uncertainty quantification and risk analysis software framework [2] is presented, along with examples of correlated synthetic history generation.

97 MATHEMATICS AND COMPUTING↗

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr 3 ) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cyber-Physical System Implementation for Manufacturing With Analytics in the Cloud Layer

Effective and efficient modern manufacturing operations require the acceptance and incorporation of the fourth industrial revolution, also known as Industry 4.0. Traditional shop floors are evolving their production into smart factories. To continue this trend, a specific architecture for the cyber-physical system is required, as well as a systematic approach to automate the application of algorithms and transform the acquired data into useful information. This work makes use of an approach that distinguishes three layers that are part of the existing Industry 4.0 paradigm: edge, fog, and cloud. Each of the layers performs computational operations, transforming the data produced in the smart factory into useful information. Trained or untrained methods for data analytics can be incorporated into the architecture. A case study is presented in which a real-time statistical control process algorithm based on control charts was implemented. The algorithm automatically detects changes in the material being processed in a computerized numerical control (CNC) machine. The algorithm implemented in the proposed architecture yielded short response times. The performance was effective since it automatically adapted to the machining of aluminum and then detected when the material was switched to steel. The data were backed up in a database that would allow traceability to the line of g-code that performed the machining.

97 MATHEMATICS AND COMPUTING↗

A Quantum Random Number Generator Based on the 100-Mbit/s Poisson Photocount Statistics

A quantum random number generator is experimentally realized. The initial randomness source is a sequence of photocounts from quasi-single-photon radiation detected with a SiPM (Silicon Photo Multiplier) silicon avalanche detector array. The use of a SiPM provides a reliable control of the quantum nature of the Poisson photocount statistics. A special algorithm with nonexponential complexity allows one to extract from the Poisson process all the randomness contained in it, namely, a random uniform sequence of 0 and 1.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An evaluation of multi-fidelity methods for quantifying uncertainty in projections of ice-sheet mass change

Abstract. This study investigated the computational benefits of using multi-fidelity statistical estimation (MFSE) algorithms to quantify uncertainty in the mass change of Humboldt Glacier, Greenland, between 2007 and 2100 using a single climate change scenario. The goal of this study was to determine whether MFSE can use multiple models of varying cost and accuracy to reduce the computational cost of estimating the mean and variance of the projected mass change of a glacier. The problem size and complexity were chosen to reflect the challenges posed by future continental-scale studies while still facilitating a computationally feasible investigation of MFSE methods. When quantifying uncertainty introduced by a high-dimensional parameterization of the basal friction field, MFSE was able to reduce the mean-squared error in the estimates of the statistics by well over an order of magnitude when compared to a single-fidelity approach that only used the highest-fidelity model. This significant reduction in computational cost was achieved despite the low-fidelity models used being incapable of capturing the local features of the ice-flow fields predicted by the high-fidelity model. The MFSE algorithms were able to effectively leverage the high correlation between each model's predictions of mass change, which all responded similarly to perturbations in the model inputs. Consequently, our results suggest that MFSE could be highly useful for reducing the cost of computing continental-scale probabilistic projections of sea-level rise due to ice-sheet mass change.

54 ENVIRONMENTAL SCIENCES↗

Bayesian optimization algorithms for accelerator physics

Accelerator physics relies on numerical algorithms to solve optimization problems in online accelerator control and tasks such as experimental design and model calibration in simulations. The effectiveness of optimization algorithms in discovering ideal solutions for complex challenges with limited resources often determines the problem complexity these methods can address. The accelerator physics community has recognized the advantages of Bayesian optimization algorithms, which leverage statistical surrogate models of objective functions to effectively address complex optimization challenges, especially in the presence of noise during accelerator operation and in resource-intensive physics simulations. In this review article, we offer a conceptual overview of applying Bayesian optimization techniques toward solving optimization problems in accelerator physics. We begin by providing a straightforward explanation of the essential components that make up Bayesian optimization techniques. We then give an overview of current and previous work applying and modifying these techniques to solve accelerator physics challenges. Finally, we explore practical implementation strategies for Bayesian optimization algorithms to maximize their performance, enabling users to effectively address complex optimization challenges in real-time beam control and accelerator design. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

The Sagittarius stream in Gaia Early Data Release 3 and the origin of the bifurcations

The Sagittarius dwarf spheroidal (Sgr) is a dissolving galaxy being tidally disrupted by the Milky Way (MW). Its stellar stream still poses serious modelling challenges, which hinders our ability to use it effectively as a prospective probe of the MW gravitational potential at large radii. Our goal is to construct the largest and most stringent sample of stars in the stream with which we can advance our understanding of the Sgr-MW interaction, focusing on the characterization of the bifurcations. We improved on previous methods based on the use of the wavelet transform to systematically search for the kinematic signature of the Sgr stream throughout the whole sky in the Gaia data. We then refined our selection via the use of a clustering algorithm on the statistical properties of the colour-magnitude diagrams. Our final sample contains more than 700 000 candidate stars and is three times larger than previous Gaia samples. With it, we have been able to detect the bifurcation of the stream in both the northern and southern hemispheres, which requires four branches (two bright and two faint) to fully describe the system. We present the detailed proper motion distribution of the trailing arm as a function of the angular coordinate along the stream, showing, for the first time, the presence of a sharp edge (on the side of the small proper motions) beyond which there are no Sgr stars. We also characterize the correlation between kinematics and distance. Finally, the chemical analysis of our sample shows that the faint branch of the bifurcation is more metal poor than the bright. We provide analytical descriptions for the proper motion trends as well as for the sky distribution of the four branches of the stream. Based on our analysis, we interpret the bifurcations as a misaligned overlap of the material stripped at the antepenultimate pericentre (faint branches) with the stars ejected at the penultimate pericentre (bright branch), given that Sgr just went through its perigalacticon. The source of this misalignment is still unknown, but we argue that models with some internal rotation in the progenitor – at least during the time of stripping of the stars that are now in the faint branches – are worth exploring.

79 ASTRONOMY AND ASTROPHYSICS↗

Reconstructions from randomly generated longitudinal electron bunch profiles with Gaussian envelopes using the Gerchberg–Saxton algorithm

Knowledge of longitudinal electron bunch profiles is vital to optimize the performance of plasma wakefield accelerators and x-ray free electron laser linacs. Because of their importance to these novel applications, noninvasive frequency domain techniques are often employed to reconstruct longitudinal bunch profiles from coherent synchrotron, transition, or undulator radiation measurements. In this paper, we detail several common reconstruction techniques involving the Kramers–Kronig phase relationship and Gerchberg–Saxton algorithm. Additionally, through statistical analysis, we draw general conclusions about the accuracy of these reconstruction techniques and the most suitable candidate for reconstructing well-isolated longitudinal bunch profiles from spectroscopic data.

47 OTHER INSTRUMENTATION↗

Continuous and fast calibration of the CMS experiment: design of the automated workflows and operational experience

The exploitation of the full physics potential of the LHC experiments requires fast and efficient processing of the largest possible dataset with the most refined understanding of the detector conditions. To face this challenge, the CMS collaboration has setup an infrastructure for the continuous unattended computation of the alignment and calibration constants, allowing for a refined knowledge of the most time-critical parameters already a few hours after the data have been saved to disk. This is the prompt calibration framework which, since the beginning of the LHC Run-I, enables the analysis and the High Level Trigger of the experiment to consume the most up-to-date conditions optimizing the performance of the physics objects. In the Run-II this setup has been further expanded to include even more complex calibration algorithms requiring higher statistics to reach the needed precision. This imposed the introduction of a new paradigm in the creation of the calibration datasets for unattended workflows and opened the door to a further step in performance. The paper reviews the design of these automated calibration workflows, the operational experience in the Run-II and the monitoring infrastructure developed to ensure the reliability of the service.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Automated Approach to Accurate, Precise, and Fast Detector Simulation and Reconstruction

Detector simulation and reconstruction are a significant computational bottleneck in particle physics. Here, we develop particle-flow neural-assisted simulations (parnassus) to address this challenge. Our deep learning model takes as input a point cloud (particles impinging on a detector) and produces a point cloud (reconstructed particles). By combining detector simulations and reconstruction into one step, we aim to minimize resource utilization and enable fast surrogate models suitable for application both inside and outside large collaborations. We demonstrate this approach using a publicly available dataset of jets passed through the full simulation and reconstruction pipeline of the Compact Muon Solenoid (CMS) experiment. We show that parnassus accurately mimics the CMS particle flow algorithm on the (statistically) same events it was trained on and can generalize to jet momentum and type outside of the training distribution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SIRIUS: Enabling Progressive Data Exploration for Extreme-Scale Scientific Data

Scientific simulations on high performance computing (HPC) platforms generate large quantities of data. To bridge the widening gap between compute and I/O, and enable data to be more efficiently stored and analyzed, simulation outputs need to be refactored, reduced, and appropriately mapped to storage tiers. However, a systematic solution to support these steps has been lacking in the current HPC software ecosystem. To that end, this paper develops SIRIUS, a progressive JPEG-like data management scheme for storing and analyzing big scientific data. It co-designs data decimation, compression, and data storage, taking the hardware characteristics of each storage tier into considerations. With reasonably low overhead, our approach refactors simulation data, using either topological or uniform decimation, into a much smaller, reduced-accuracy base dataset, and a series of deltas that is used to augment the accuracy if needed. The base dataset and deltas are compressed and written to multiple storage tiers. Data saved on different tiers can then be selectively retrieved to restore the level of accuracy that satisfies data analytics. Thus, SIRIUS provides a paradigm shift towards elastic data analytics and enables end users to make trade-offs between analysis speed and accuracy on-the-fly. This paper further develops algorithms to preserve statistics for data decimation, a common requirement for reducing data. Here, we assess the impact of SIRIUS on unstructured triangular meshes, a pervasive data model used in scientific simulations. In particular, we evaluate two realistic use cases: the blob detection in fusion and high-pressure area extraction in computational fluid dynamics.

97 MATHEMATICS AND COMPUTING↗

Clutter Identification based on sparse recovery with dynamically changing dictionary sizes for cognitive radar

Existing radar algorithms assume stationary statistical characteristics for environment/clutter. In practical scenarios, the statistical characteristics of the clutter can dynamically change depending on where the radar is operating. Non-stationarity in the statistical characteristics of the clutter may negatively affect the radar performance. Cognitive radar that can sense the changes in the clutter statistics, learn the new statistical characteristics, and adapt to these changes has been proposed to overcome these shortcomings. We have recently developed techniques for detection of statistical changes and learning the new clutter distribution for cognitive radar. In this work, we will extend the learning component. More specifically, in our previous work, we have developed a sparse recovery based clutter distribution identification to learn the distribution of the new clutter characteristics after the detected change in the statistics of the clutter. In our method, we have built a dictionary of clutter distributions and used this dictionary in orthogonal matching pursuit to perform sparse recovery of the clutter distribution assuming that the dictionary includes the new distribution. In this work, we propose a hypothesis testing based approach to detect whether the new distribution of the clutter is included in the dictionary or not, and suggest a method to dynamically update the dictionary. We envision that the successful outcomes of this work will be of high relevance to the adaptive learning and cognitive augmentation of the radar systems that are used in remotely piloted vehicles for surveillance and reconnaissance operations.

Zhu, Yuansheng↗

Final Technical Report for DE-SC0012297

This is the final report on the work performed in award DE-SC0012297, Cosmic Frontier work in support of the LSST Dark Energy Science Collaboration's work to develop algorithms, simulations, and statistical tests to ensure optimal extraction of the dark energy properties from galaxy clusters observed with LSST. This work focused on effects that could produce a systematic error on the measurement of cluster masses (that will be used to probe the effects of dark energy on the growth of structure). These effects stem from the deviations from pure ellipticity of the gravitational lensing signal and from the blending of light of neighboring galaxies. Both these effects are expected to be more significant for LSST than for the stage III experiments such as the Dark Energy Survey. We calculate the magnitude of the mass error (or bias) for the first time and demonstrate that it can be treated as a multiplicative correction and calibrated out, allowing mass measurements of clusters from gravitational lensing to meet the requirements of LSST's dark energy investigation.

79 ASTRONOMY AND ASTROPHYSICS↗

Uncertainty Quantification in Scientific ML

The intricate interactions between data sampling, model selection and the inherent randomness in complex systems strongly emphasize the need for a rigorous characterization of ML algorithms. In conventional statistics, uncertainty quantification (UQ) provides this characterization by measuring how accurately a model reflects the physical reality and by studying the impact of different error sources on the prediction.

97 MATHEMATICS AND COMPUTING↗

Search for an Excess of Electron Neutrino Interactions in MicroBooNE Using Multiple Final State Topologies (submitted to PRL)

We present a measurement of ν e interactions from the Fermilab Booster Neutrino Beam using the MicroBooNE liquid argon time projection chamber to address the nature of the excess of low energy interactions observed by the MiniBooNE collaboration. Three independent ν e searches are performed across multiple single electron final states, including an exclusive search for two-body scattering events with a single proton, a semi-inclusive search for pionless events, and a fully inclusive search for events containing all hadronic final states. With differing signal topologies, statistics, backgrounds, reconstruction algorithms, and analysis approaches, the results are found to be consistent with the nominal ν e rate expectations from the Booster Neutrino Beam and no excess of ν e events is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗