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DOE OSTI2024

Improvement and generalization of ABCD method with Bayesian inference

To find New Physics or to refine our knowledge of the Standard Model at the LHC is an enterprise that involves many factors, such as the capabilities and the performance of the accelerator and detectors, the use and exploitation of the available information, the design of search strategies and observables, as well as the proposal of new models. We focus on the use of the information and pour our effort in re-thinking the usual data-driven ABCD method to improve it and to generalize it using Bayesian Machine Learning techniques and tools. We propose that a dataset consisting of a signal and many backgrounds is well described through a mixture model. Signal, backgrounds and their relative fractions in the sample can be well extracted by exploiting the prior knowledge and the dependence between the different observables at the event-by-event level with Bayesian tools. We show how, in contrast to the ABCD method, one can take advantage of understanding some properties of the different backgrounds and of having more than two independent observables to measure in each event. In addition, instead of regions defined through hard cuts, the Bayesian framework uses the information of continuous distribution to obtain soft-assignments of the events which are statistically more robust. To compare both methods we use a toy problem inspired by pp\to hh\to b\bar b b \bar b p p → h h → b b ‾ b b ‾ , selecting a reduced and simplified number of processes and analysing the flavor of the four jets and the invariant mass of the jet-pairs, modeled with simplified distributions. Taking advantage of all this information, and starting from a combination of biased and agnostic priors, leads us to a very good posterior once we use the Bayesian framework to exploit the data and the mutual information of the observables at the event-by-event level. We show how, in this simplified model, the Bayesian framework outperforms the ABCD method sensitivity in obtaining the signal fraction in scenarios with 1% and 0.5% true signal fractions in the dataset. We also show that the method is robust against the absence of signal. We discuss potential prospects for taking this Bayesian data-driven paradigm into more realistic scenarios.

Alvarez, Ezequiel↗

NASA NTRS1990

An investigation of constraint-based component-modeling for knowledge representation in computer-aided conceptual design

Originally, computer programs for engineering design focused on detailed geometric design. Later, computer programs for algorithmically performing the preliminary design of specific well-defined classes of objects became commonplace. However, due to the need for extreme flexibility, it appears unlikely that conventional programming techniques will prove fruitful in developing computer aids for engineering conceptual design. The use of symbolic processing techniques, such as object-oriented programming and constraint propagation, facilitate such flexibility. Object-oriented programming allows programs to be organized around the objects and behavior to be simulated, rather than around fixed sequences of function- and subroutine-calls. Constraint propagation allows declarative statements to be understood as designating multi-directional mathematical relationships among all the variables of an equation, rather than as unidirectional assignments to the variable on the left-hand side of the equation, as in conventional computer programs. The research has concentrated on applying these two techniques to the development of a general-purpose computer aid for engineering conceptual design. Object-oriented programming techniques are utilized to implement a user-extensible database of design components. The mathematical relationships which model both geometry and physics of these components are managed via constraint propagation. In addition, to this component-based hierarchy, special-purpose data structures are provided for describing component interactions and supporting state-dependent parameters. In order to investigate the utility of this approach, a number of sample design problems from the field of aerospace engineering were implemented using the prototype design tool, Rubber Airplane. The additional level of organizational structure obtained by representing design knowledge in terms of components is observed to provide greater convenience to the program user, and to result in a database of engineering information which is easier both to maintain and to extend.

Kolb, Mark A.↗

DOE OSTI2024

Increasing the Reproducibility and Replicability of Supervised AI/ML in the Earth Systems Science by Leveraging Social Science Methods

Artificial intelligence (AI) and machine learning (ML) pose a challenge for achieving science that is both reproducible and replicable. The challenge is compounded in supervised models that depend on manually labeled training data, as they introduce additional decision-making and processes that require thorough documentation and reporting. We address these limitations by providing an approach to hand labeling training data for supervised ML that integrates quantitative content analysis (QCA)—a method from social science research. The QCA approach provides a rigorous and well-documented hand labeling procedure to improve the replicability and reproducibility of supervised ML applications in Earth systems science (ESS), as well as the ability to evaluate them. Specifically, the approach requires (a) the articulation and documentation of the exact decision-making process used for assigning hand labels in a “codebook” and (b) an empirical evaluation of the reliability” of the hand labelers. In this paper, we outline the contributions of QCA to the field, along with an overview of the general approach. We then provide a case study to further demonstrate how this framework has and can be applied when developing supervised ML models for applications in ESS. With this approach, we provide an actionable path forward for addressing ethical considerations and goals outlined by recent AGU work on ML ethics in ESS.

58 GEOSCIENCES↗

DOE OSTI2022

Single-particle and dipole excitations in Co 62

An extensive study of the level structure of 62 Co has been performed following a complex multinucleon transfer reaction, 26 Mg( 48 Ca, 2α3npγ) 62 Co, at beam energies of 275, 290, and 320 MeV. The combination of the Gammasphere array, the fragment mass analyzer, and a focal-plane ionization chamber was used to identify and delineate excited levels in 62 Co. A considerable extension to the 62 Co level scheme is proposed with firm spin-parity values assigned on the basis of angular distribution and correlation analyses. Here, various level sequences built upon states of single-particle character have been observed, and an interpretation of these structures in the framework of the spherical shell model is presented. At moderate spins, two dipole bands have been observed and, based on their phenomenological study, a possible magnetic rotation character is suggested. However, theoretical calculations performed using the particle rotor model support magnetic rotation for only one of these dipole bands.

59 ≤ A ≤ 89↗

DOE OSTI2020

Random Variation of ACRR Core Report

The research presented in this paper is to be a contribution to a larger research project. The project was designed to test the safety standards of Sandia National Laboratories' ACRR. The MCNP model of the ACRR core is being used to simulate the environment. To test the safety standards, the dimensions and density of the fuel in the core were varied randomly. Each rod had its own dimension and density assigned to it randomly. Ten different cases of the ACRR core were randomly created. The different cases were studied using 640-group neutron fluxes. The fluxes were compared to see how the variations affected the system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1983

Minimum information modelling of structural systems with uncertain parameters

Work is reviewed wherein the design of active structural control is formulated as the mean-square optimal control of a linear mechanical system with stochastic parameters. In practice, a complete probabilistic description of model parameters can never be provided by empirical determinations, and a suitable design approach must accept very limited a priori data on parameter statistics. In consequence, the mean-square optimization problem is formulated using a complete probability assignment which is made to be consistent with available data but maximally unconstrained otherwise through use of a maximum entropy principle. The ramifications of this approach for both robustness and large dimensionality are illustrated by consideration of the full-state feedback regulation problem.

Hyland, D. C.↗

NASA NTRS1987

Independent Orbiter Assessment (IOA): Analysis of the Orbiter Experiment (OEX) subsystem

The results of the Independent Orbiter Assessment (IOA) of the Failure Modes and Effects Analysis (FMEA) and Critical Items List (CIL) are presented. The IOA approach features a top-down analysis of the hardware to determine failure modes, criticality, and potential critical items. To preserve independence, this analysis was accomplished without reliance upon the results contained within the NASA FMEA/CIL documentation. This report documents the independent analysis results corresponding to the Orbiter Experiments hardware. Each level of hardware was evaluated and analyzed for possible failure modes and effects. Criticality was assigned based upon the severity of the effect for each failure mode. The Orbiter Experiments (OEX) Program consists of a multiple set of experiments for the purpose of gathering environmental and aerodynamic data to develop more accurate ground models for Shuttle performance and to facilitate the design of future spacecraft. This assessment only addresses currently manifested experiments and their support systems. Specifically this list consists of: Shuttle Entry Air Data System (SEADS); Shuttle Upper Atmosphere Mass Spectrometer (SUMS); Forward Fuselage Support System for OEX (FFSSO); Shuttle Infrared Laced Temperature Sensor (SILTS); Aerodynamic Coefficient Identification Package (ACIP); and Support System for OEX (SSO). There are only two potential critical items for the OEX, since the experiments only gather data for analysis post mission and are totally independent systems except for power. Failure of any experiment component usually only causes a loss of experiment data and in no way jeopardizes the crew or mission.

Compton, J. M.↗

NASA NTRS2011

Loft: An Automated Mesh Generator for Stiffened Shell Aerospace Vehicles

Loft is an automated mesh generation code that is designed for aerospace vehicle structures. From user input, Loft generates meshes for wings, noses, tanks, fuselage sections, thrust structures, and so on. As a mesh is generated, each element is assigned properties to mark the part of the vehicle with which it is associated. This property assignment is an extremely powerful feature that enables detailed analysis tasks, such as load application and structural sizing. This report is presented in two parts. The first part is an overview of the code and its applications. The modeling approach that was used to create the finite element meshes is described. Several applications of the code are demonstrated, including a Next Generation Launch Technology (NGLT) wing-sizing study, a lunar lander stage study, a launch vehicle shroud shape study, and a two-stage-to-orbit (TSTO) orbiter. Part two of the report is the program user manual. The manual includes in-depth tutorials and a complete command reference.

Eldred, Lloyd B.↗

DOE OSTI2024

A triple junction energy study using an inclination-dependent anisotropic Monte Carlo Potts grain growth model

This work presents a Monte Carlo Potts grain growth model in which the grain boundary (GB) energies depend on the GB inclination. The inclination is calculated using a linear smoothing approach developed by the authors. In bicrystal simulations with a shrinking grain, the grain changes shape to prefer low energy GB inclinations. However, in polycrystal simulations the preferred inclinations depend on the approach used to assign the triple junction (TJ) energies. Approaches that produce unimodal TJ energy distributions result in the expected behavior of preferring low energy GB inclinations. However, approaches that produce bimodal TJ energy distributions result in medium energy or even high energy inclinations being preferred. Overall, this study underscores the importance of TJs in anisotropic grain growth.

Grain boundary inclination↗

NASA NTRS1984

A real-time, portable, microcomputer-based jet engine simulator

Modern piloted flight simulators require detailed models of many aircraft components, such as the airframe, propulsion system, flight deck controls and instrumentation, as well as motion drive and visual display systems. The amount of computing power necessary to implement these systems can exceed that offered by dedicated mainframe computers. One approach to this problem is through the use of distributed computing, where parts of the simulation are assigned to computing subsystems, such as microcomputers. One such subsystem, such as microcomputers. One such subsystem, a real-time, portable, microcomputer-based jet engine simulator, is described in this paper. The simulator will be used at the NASA Ames Vertical Motion Simulator facility to perform calculations previously done on the facility's mainframe computer. The mainframe will continue to do all other system calculations and will interface to the engine simulator through analog I/0. The engine simulator hardware includes a 16-bit microcomputer and floating-point coprocessor. There is an 8 channel analog input board and an 8 channel analog output board. A model of a small turboshaft engine/control is coded in floating-point FORTRAN. The FORTRAN code and a data monitoring program run under the control of an assembly language real-time executive. The monitoring program allows the user to isplay and/or modify simulator variables on-line through a data terminal. A dual disk drive system is used for mass storage of programs and data. The CP/M-86 operating system provides file management and overall system control. The frame time for the simulator is 30 milliseconds, which includes all analog I/0 operations.

Blech, R. A.↗

DOE OSTI2021

srMO-BO-3GP: A sequential regularized multi-objective Bayesian optimization for constrained design applications using an uncertain Pareto classifier

Bayesian optimization (BO) is an efficient and flexible global optimization framework that is applicable to a very wide range of engineering applications. To leverage the capability of the classical BO, many extensions, including multi-objective, multi-fidelity, parallelization, and latent-variable modeling, have been proposed to address the limitations of the classical BO framework. In this work, we propose a novel multi-objective BO formalism, called srMO-BO-3GP, to solve multi-objective optimization problems in a sequential setting. Three different Gaussian processes (GPs) are stacked together, where each of the GPs is assigned with a different task. The first GP is used to approximate a single-objective computed from the multi-objective definition, the second GP is used to learn the unknown constraints, and the third one is used to learn the uncertain Pareto frontier. At each iteration, a multi-objective augmented Tchebycheff function is adopted to convert multi-objective to single-objective, where the regularization with a regularized ridge term is also introduced to smooth the single-objective function. Finally, we couple the third GP along with the classical BO framework to explore the convergence and diversity of the Pareto frontier by the acquisition function for exploitation and exploration. The proposed framework is demonstrated using several numerical benchmark functions, as well as a thermomechanical finite element model for flip-chip package design optimization.

42 ENGINEERING↗

NASA NTRS1975

Preliminary Entry Trajectory for 1st Orbital Flight Test (OFT). Space Shuttle Engineering and Operations Support, Engineering Systems Analysis

A preliminary trajectory from entry interface to terminal area energy management interface for the first orbital flight test is presented based on information in the Strawman master flight test assignments document Reference A. The enclosed point-mass trajectory may be utilized for preliminary purposes, meeting the requirements of this document. The trajectory was derived utilizing the January 1975 analytic drag control guidance, the latest thermal protection subsystem model information from NASA ES and December 1974 Aerodynamics for a mid center-of-gravity location.

Frohme, K. R.↗

NASA NTRS1992

Submillimeter, millimeter, and microwave spectral line catalogue, revision 3

A computer-accessible catalog of submillimeter, millimeter, and microwave spectral lines in the frequency range between 0 and 10,000 GHz (i.e., wavelengths longer than 30 micrometers) is described. The catalog can be used as a planning or as an aid in the identification and analysis of observed spectral lines. The information listed for each spectral line includes the frequency and its estimated error, the intensity, the lower state energy, and the quantum number assignment. This edition of the catalog has information on 206 atomic and molecular species and includes a total of 630,924 lines. The catalog was constructed by using theoretical least square fits of published spectral lines to accepted molecular models. The associated predictions and their estimated errors are based upon the resultant fitted parameters and their covariances. Future versions of this catalog will add more atoms and molecules and update the present listings as new data appear. The catalog is available as a magnetic data tape recorded in card images, with one card image per spectral line, from the National Space Science Data Center, located at Goddard Space Flight Center.

Pickett, H. M.↗

NASA NTRS2007

Interfacing WIPL-D with Mechanical CAD Software

of almost any popular CAD format, e.g. IGES, Parasolid, DXF, ACIS etc. The solid models are processed (simplified) and meshed in GiD(R), and then converted into WIPL-D Pro input file by simple Fortran or Matlab code. This algorithm allows the user to control the mesh of imported geometry, and to assign electric p~perties to metalic and dielectric surfaces. Implementation of the algorithm is demonstrated by examples obtained from the NASA Discovery mission, Phoenix Lander 2008. Results for radiation pattern of Phoenix Lander UHF relay antenna with effect of Martian surface, both simulated in WIPL-D Pro and measured, are shown for comparison.

method of moments (MoM)↗

NASA NTRS2017

Interactive Visualization of High-Dimensional Petascale Ocean Data

We describe an application for interactive visualization of 5 petabytes of time-varying multivariate data from a high-resolution global ocean circulation model. The input data are 10311 hourly (ocean time) time steps of various 2D and 3D fields from a 22-billion point 1/48- degree “lat-lon cap” configuration of the MIT General Circulation Model (MITgcm). We map the global horizontal model domain onto our 128-screen (8x16) tiled display wall to produce a canonical tiling with approximately one MITgcm grid point per display pixel, and using this tiling we encode the entire time series for multiple native and computed scalar quantities at a collection of ocean depths. We reduce disk bandwidth requirements by converting the model’s floating point data to 16-bit fixed point values, and compressing those values with a lossless video encoder, which together allow synchronized playback at 24 time steps per second across all 128 displays. The application allows dynamic assignment of any two encoded tiles to any display, and has multiple interfaces for quickly specifying various orderly arrangements of tiles. All subsequent rendering is done on the fly, with run time control of colormaps, transfer functions, histogram equalization, and labeling. The two data streams on each screen can be rendered independently and combined in various ways, including blending, differencing, horizontal/ vertical wipes, and checkerboarding. The two data streams on any screen can optionally be displayed as a scatterplot in their joint attribute space. All scatterplots and map-view plots from the same x/y location and depth are linked so they all show the current brushable selection. Ocean scientists have used the system, and have found previously unidentified features in the data.

Interactive↗

DOE OSTI2024

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

DOE OSTI2024

Survey of gravitationally lensed objects in HSC imaging (SuGOHI) – X. Strong lens finding in the HSC-SSP using convolutional neural networks

ABSTRACT We apply a novel model based on convolutional neural networks (CNN) to identify gravitationally lensed galaxies in multiband imaging of the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) Survey. The trained model is applied to a parent sample of 2350 061 galaxies selected from the $\sim$ 800 deg$^2$ Wide area of the HSC-SSP Public Data Release 2. The galaxies in HSC Wide are selected based on stringent pre-selection criteria, such as multiband magnitudes, stellar mass, star formation rate, extendedness limit, photometric redshift range, etc. The trained CNN assigns a score from 0 to 1, with 1 representing lenses and 0 representing non-lenses. Initially, the CNN selects a total of 20 241 cutouts with a score greater than 0.9, but this number is subsequently reduced to 1522 cutouts after removing definite non-lenses for further visual inspection. We discover 43 grade A (definite) and 269 grade B (probable) strong lens candidates, of which 97 are completely new. In addition, we also discover 880 grade C (possible) lens candidates, 289 of which are known systems in the literature. We identify 143 candidates from the known systems of grade C that had higher confidence in previous searches. Our model can also recover 285 candidate galaxy-scale lenses from the Survey of Gravitationally lensed Objects in HSC Imaging (SuGOHI), where a single foreground galaxy acts as the deflector. Even though group-scale and cluster-scale lens systems are not included in the training, a sample of 32 SuGOHI-c (i.e. group/cluster-scale systems) lens candidates is retrieved. Our discoveries will be useful for ongoing and planned spectroscopic surveys, such as the Subaru Prime Focus Spectrograph project, to measure lens and source redshifts in order to enable detailed lens modelling.

Jaelani, Anton T. (ORCID:0000000162825778)↗

NASA NTRS1996

Accurate Predictions of Mean Geomagnetic Dipole Excursion and Reversal Frequencies, Mean Paleomagnetic Field Intensity, and the Radius of Earth's Core Using McLeod's Rule

The geomagnetic spatial power spectrum R(sub n)(r) is the mean square magnetic induction represented by degree n spherical harmonic coefficients of the internal scalar potential averaged over the geocentric sphere of radius r. McLeod's Rule for the magnetic field generated by Earth's core geodynamo says that the expected core surface power spectrum (R(sub nc)(c)) is inversely proportional to (2n + 1) for 1 less than n less than or equal to N(sub E). McLeod's Rule is verified by locating Earth's core with main field models of Magsat data; the estimated core radius of 3485 kn is close to the seismologic value for c of 3480 km. McLeod's Rule and similar forms are then calibrated with the model values of R(sub n) for 3 less than or = n less than or = 12. Extrapolation to the degree 1 dipole predicts the expectation value of Earth's dipole moment to be about 5.89 x 10(exp 22) Am(exp 2)rms (74.5% of the 1980 value) and the expected geomagnetic intensity to be about 35.6 (mu)T rms at Earth's surface. Archeo- and paleomagnetic field intensity data show these and related predictions to be reasonably accurate. The probability distribution chi(exp 2) with 2n+1 degrees of freedom is assigned to (2n + 1)R(sub nc)/(R(sub nc). Extending this to the dipole implies that an exceptionally weak absolute dipole moment (less than or = 20% of the 1980 value) will exist during 2.5% of geologic time. The mean duration for such major geomagnetic dipole power excursions, one quarter of which feature durable axial dipole reversal, is estimated from the modern dipole power time-scale and the statistical model of excursions. The resulting mean excursion duration of 2767 years forces us to predict an average of 9.04 excursions per million years, 2.26 axial dipole reversals per million years, and a mean reversal duration of 5533 years. Paleomagnetic data show these predictions to be quite accurate. McLeod's Rule led to accurate predictions of Earth's core radius, mean paleomagnetic field intensity, and mean geomagnetic dipole power excursion and axial dipole reversal frequencies. We conclude that McLeod's Rule helps unify geo-paleomagnetism, correctly relates theoretically predictable statistical properties of the core geodynamo to magnetic observation, and provides a priori information required for stochastic inversion of paleo-, archeo-, and/or historical geomagnetic measurements.

Voorhies, Coerte V.↗