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DOE OSTI2020

DeepClone: Lightweight State Replication of Deep Learning Models for Data Parallel Training

Training modern deep neural network (DNN) models involves complex workflows triggered by model exploration, sensitivity analysis, explainability, etc. A key primitive in this context is the ability to clone a model training instance, i.e. “fork” the training process in a potentially different direction, which enables comparisons of different evolution paths using variations of training data and model parameters. However, in a quest improve the training throughput, a mix of data parallel, model parallel, pipeline parallel and layer-wise parallel approaches are making the problem of cloning highly complex. In this paper, we explore the problem of efficient cloning under such circumstances. To this end, we leverage several properties of data-parallel training and layer-wise parallelism to design DeepClone, a cloning approach based on augmenting the execution graph to gain direct access to tensors, which are then sharded and reconstructed asynchronously in order to minimize runtime overhead, standby duration, readiness duration. Compared with state-of-art approaches, DeepClone shows orders of magnitude improvement for several classes of DNN models.

data-parallel training↗

DOE OSTI2025

Recurrent features of amplitudes in planar $\mathcal{N}$ = 4 super Yang-Mills theory

The planar three-gluon form factor for the chiral stress tensor operator in planar maximally supersymmetric Yang-Mills theory is an analog of the Higgs-to-three-gluon scattering amplitude in QCD. The amplitude (symbol) bootstrap program has provided a wealth of high-loop perturbative data about this form factor, with results up to eight loops available. The symbol of the form factor at L loops is given by words of length 2L in six letters with associated integer coefficients. In this paper, we analyze this data, describing patterns of zero coefficients and relations between coefficients. We find many sequences of words whose coefficients are given by closed-form expressions which we expect to be valid at any loop order. Moreover, motivated by our previous machine-learning analysis, we identify simple recursion relations that relate the coefficient of a word to the coefficients of particular lower-loop words. These results open an exciting door for understanding scattering amplitudes at all loop orders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Multigroup Thermal Radiation Transport with Tensor Trains

We investigate the application of tensor-train (TT) algorithms to multigroup thermal radiation transport (i.e., photon radiation transport). The TT framework enables simulations at discretizations that might otherwise be computationally infeasible on conventional hardware. We show that solutions to certain multigroup problems possess an intrinsic low-rank structure, which the TT representation leverages effectively. This enables us to solve problems where the discretized solution size exceeds a trillion parameters on a single node. The solver is evaluated on a range of test problems with varying levels of complexity, consistently achieving compression factors greater than 100× and speedups exceeding 2×. We also investigate alternative TT topologies by analyzing the low-rank structure of the merged spatio-spectral core to assess the potential for greater compression. This analysis suggests that compression gains could increase by factors as large as 7. Our results indicate that the low-rank structure of the merged spatio-spectral core captures the spatio-spectral complexity of the solution, largely driven by the opacity structure of the medium. Beyond identifying opportunities for improved compression, this analysis highlights the types of errors that may arise in angle-integrated quantities when exploiting this low-rank structure.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Characterizing Biomass Feedstock Transport Properties Using State of the Art Imaging and Computational Techniques

The microstructure of lignocellulosic biomass determines heat and mass transfer during conversion processes. We present a novel method for characterizing the transport properties of biomass using advanced imaging and computational techniques. The microstructure of two woody feedstocks, red oak and Douglas fir, before and after pyrolysis, is revealed using X-ray computed tomography (XCT). Transport properties are calculated from the XCT images, and principal permeability tensors are calculated using an immersed boundary-based finite volume solver to model gas flow through the geometries. We observe that the permeabilities of native biomass are distinctly anisotropic, however, this anisotropy is greatly reduced after pyrolysis.

adaptive mesh refinement↗

DOE OSTI2021

Constraints on quasinormal modes and bounds for critical points from pole-skipping

We consider a holographic thermal state and perturb it by a scalar operator whose associated real-time Green’s function has only gapped poles. These gapped poles correspond to the non-hydrodynamic quasinormal modes of a massive scalar perturbation around a Schwarzschild black brane. Relations between pole-skipping points, critical points and quasinormal modes in general emerge when the mass of the scalar and hence the dual operator dimension is varied. First, this novel analysis reveals a relation between the location of a mode in the infinite tower of quasinormal modes and the number of pole-skipping points constraining its dispersion relation at imaginary momenta. Second, for the first time, we consider the radii of convergence of the derivative expansions about the gapped quasinormal modes. These convergence radii turn out to be bounded from above by the set of all pole-skipping points. Furthermore, a transition between two distinct classes of critical points occurs at a particular value for the conformal dimension, implying close relations between critical points and pole-skipping points in one of those two classes. We show numerically that all of our results are also true for gapped modes of vector and tensor operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Analysis of the 2021 Milford, Utah earthquake swarm: Enhanced earthquake catalog and migration patterns

An earthquake swarm occurred in Spring 2021 in south-central Utah near the town of Milford. The University of Utah Seismograph Stations located 125 earthquakes between March 19 and May 10 with magnitudes ranging from 0.5 to 3.2. We implement a matched-filter technique in order to identify additional earthquakes that went undetected during the routine network location. The 125 network-located earthquakes are used as templates and are cross-correlated with continuous data for the dates Feb 17—June 10. This time period corresponds to approximately 1 month before the earthquake swarm began through 1 month after it ended. For the matched-filter analysis, we rely heavily on station FOR1, which is located within 5 km of most template events. Four other stations within 20–30 km of most template events provide a supplement to the closest station. The matched-filter implementation results in the detection of over 600 earthquakes in addition to the original 125 catalog events. This is one of the largest swarms ever recorded in Utah, and no previous large swarms have been recorded in this location. We use HypoDD to obtain relative double-difference locations of the catalog events. Both routine locations and HypoDD relocations of the catalog events suggest a fault dipping west beneath the mountain range, opposite of typical Basin and Range normal faults that dip beneath alluvial valleys. Moment tensors for the largest five events show normal faulting consistent with the west-dipping fault seen in the seismicity. Hydrothermal features in the area, including a geothermal power plant, suggest that fluids may be a contributing factor to the earthquake swarm triggering. We examine the role of fluids by exploring bounds on diffusion parameters and investigating spatial migration characteristics of the swarm seismicity. We conclude that this swarm is the result of heterogenous stress conditions in a prefractured region.

58 GEOSCIENCES↗

NASA NTRS1979

Analysis of multiple pulse NMR in solids. III

The paper introduces principles which greatly simplify the process of designing and analyzing compound pulse cycles. These principles are demonstrated by applying them to the design and analysis of several cycles, including a 52-pulse cycle; this pulse cycle combines six different REV-8 cycles and has substantially more resolving power than previously available techniques. Also, a new 24-pulse cycle is introduced which combines three different REV-8 cycles and has a resolving ability equivalent to that of the 52-pulse cycle. The principle of pulse-cycle decoupling provides a method for systematically combining pulse groups into compound cycles in order to achieve enhanced performance. This method is illustrated by a logical development from the two-pulse solid echo sequence to the WAHUHA (Waugh et al., 1968), the REV-8, and the new 24-pulse and 52-pulse cycles, along with the 14-pulse and 12-pulse cycles. Proton chemical shift tensor components for several organic solids, measured by using the 52-pulse cycle, are reported without detailed discussion.

Burum, D. P.↗

DOE OSTI2025

Computational Power of Random Quantum Circuits in Arbitrary Geometries

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of approximately 50 qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and, therefore, how much infidelity is suffered) in generating highly entangled states. Here, we describe recent hardware upgrades to Quantinuum’s H2 quantum computer, enabling it to operate on up to 56 qubits with arbitrary connectivity and 99.843(5)% two-qubit gate fidelity. We define a class of circuits with random geometries that become hard to classically simulate in very low depth and implement them utilizing the flexible connectivity of H2. A careful analysis demonstrating the fast saturation of classical simulation complexity with depth indicates that H2 can yield data well beyond the reach of state-of-the art classical simulation methods at unprecedented fidelities. We find that the considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the quantum charge-coupled device architecture as continued progress is made toward building larger machines. Published by the American Physical Society 2025

DeCross, M.↗

NASA NTRS2004

Parameter Estimation in Atmospheric Data Sets

In this study the structure tensor technique is used to estimate dynamical parameters in atmospheric data sets. The structure tensor is a common tool for estimating motion in image sequences. This technique can be extended to estimate other dynamical parameters such as diffusion constants or exponential decay rates. A general mathematical framework was developed for the direct estimation of the physical parameters that govern the underlying processes from image sequences. This estimation technique can be adapted to the specific physical problem under investigation, so it can be used in a variety of applications in trace gas, aerosol, and cloud remote sensing. As a test scenario this technique will be applied to modeled dust data. In this case vertically integrated dust concentrations were used to derive wind information. Those results can be compared to the wind vector fields which served as input to the model. Based on this analysis, a method to compute atmospheric data parameter fields will be presented. .

Wenig, Mark↗

DOE OSTI2020

One Electron Multiple Proton Transfer in Model Organic Donor–Acceptor Systems: Implications for High-Frequency EPR

EPR spectroscopy is an important spectroscopic method for identification and characterization of radical species involved in many biological reactions. The tyrosyl radical is one of the most studied amino acid radical intermediates in biology. Often in conjunction with histidine residues, it is involved in many fundamental biological electron and proton transfer processes, such as in the water oxidation in photosystem II. As biological processes are typically extremely complicated and hard to control, molecular bio-mimetic model complexes are often used to clarify the mechanisms of the biological reactions. In this work, we present theoretical calculations to investigate the sensitivity of magnetic resonance parameters to proton-coupled electron transfer events, as well as conformational substates of the molecular constructs which mimic the tyrosine-histidine (Tyr-His) pairs found in a large variety of proteins. Upon oxidation of the phenol, the Tyr analog, these complexes can perform not only one-electron one-proton transfer (EPT), but also one-electron two-proton transfers (E2PT). It is shown that in aprotic environment the g X -components of the electronicg-tensor are extremely sensitive to the first proton transfer from the phenoxyl oxygen to the imidazole nitrogen (EPT product), leading to a significant increase of the g X -value of up to 0.003, but are not sensitive to the second proton transfer (E2PT). In the latter case, the change of the g X -value is much smaller (ca. 0.0001), which is too small to be distinguished even by high-frequency EPR. The 14 N hyperfine values are also too similar to allow differentiation between the different protonation states in EPT and E2PT. The magnetic resonance parameters were also calculated as a function of the rotation angles around single bonds. It was demonstrated that rotation of the phenoxyl group results in large positive changes (> 0.001) in the g X -values. Analysis of the data reveals that the main source of these changes is related to the strength of the H-bond between phenoxyl oxygen and the proton(s) on N 1 and N 2 positions of the imidazole.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

A multi-element vortex lattice method for calculating the geometry and effects of a helicopter rotor wake in forward flight

A method is described for the analysis of the unsteady, incompressible potential flow associated with a helicopter rotor and it's wake in forward flight. This method is particularly useful in low advance ratio flight due to the major contribution, in the near field, of the deformed wake. The rotor geometry is prescribed and the unsteady wake geometry is computed from the local flow perturbation velocities. The wake is modeled as a full vortex lattice. The rotor geometry is arbitrary and several rotor blades can be represented. The unsteady airloads on the rotor blades are computed in the presence of the deformed rotor wake by a time-stepping technique. Solution for the load distribution on the blade surfaces is found by prescribing boundary conditions in a reference system which rotates with the blade tips. Transformation tensors are used to describe the contribution of the wake in the inertial system to the rotor in the rotating reference system. The effects of blade cyclic pitch variation are computed using a rotation tensor. The deformation of the wake is computed in the inertial frame. The wake is started impulsively from rest, allowing a natural convection of the wake with time.

Berry, John D.↗

NASA NTRS2014

Self-Calibration of BICEP1 Three-Year Data and Constraints on Astrophysical Polarization Rotation

Cosmic microwave background (CMB) polarimeters aspire to measure the faint B-mode signature predicted to arise from inflationary gravitational waves. They also have the potential to constrain cosmic birefringence, rotation of the polarization of the CMB arising from parity-violating physics, which would produce nonzero expectation values for the CMB's temperature to B-mode correlation (TB) and E-mode to B-mode correlation (EB) spectra. However, instrumental systematic effects can also cause these TB and EB correlations to be nonzero. In particular, an overall miscalibration of the polarization orientation of the detectors produces TB and EB spectra which are degenerate with isotropic cosmological birefringence, while also introducing a small but predictable bias on the BB spectrum. We find that BICEP1 three-year spectra, which use our standard calibration of detector polarization angles from a dielectric sheet, are consistent with a polarization rotation of alpha = −2.77deg +/- 0.86deg (statistical) +/- 1.3deg (systematic). We have revised the estimate of systematic error on the polarization rotation angle from the two-year analysis by comparing multiple calibration methods. We also account for the (negligible) impact of measured beam systematic effects. We investigate the polarization rotation for the BICEP1 100 GHz and 150 GHz bands separately to investigate theoretical models that produce frequency-dependent cosmic birefringence. We find no evidence in the data supporting either of these models or Faraday rotation of the CMB polarization by the Milky Way galaxy's magnetic field. If we assume that there is no cosmic birefringence, we can use the TB and EB spectra to calibrate detector polarization orientations, thus reducing bias of the cosmological B-mode spectrum from leaked E-modes due to possible polarization orientation miscalibration. After applying this "self-calibration" process, we find that the upper limit on the tensor-to-scalar ratio decreases slightly, from r < 0.70 to r < 0.65 at 95% confidence.

three-year↗

DOE OSTI2025

Generalized parton distributions from lattice QCD with asymmetric momentum transfer: Tensor case

The calculation of generalized parton distributions (GPDs) in lattice QCD was traditionally done by calculating matrix elements in the symmetric frame. Recent advancements have significantly reduced computational costs by calculating these matrix elements in the asymmetric frame, allowing us to choose the momentum transfer to be in either the initial or final states only. The theoretical methodology requires a new parametrization of the matrix element to obtain Lorentz-invariant amplitudes, which are then related to the GPDs. The formulation and implementation of this approachaveh already been established for the unpolarized and helicity GPDs. Building upon this idea, we extend this formulation to the four leading-twist quark transversity GPDs ($𝐻_𝑇$, $𝐸_𝑇$, $\tilde{𝐻}_𝑇$, $\tilde{𝐸}_𝑇$). We also present numerical results for zero skewness using an 𝑁 𝑓 = 2 +1 +1 ensemble of twisted mass fermions with a clover improvement. The light quark masses employed in these calculations correspond to a pion mass of about 260 MeV. Furthermore, we include a comparison between the symmetric and asymmetric frame calculations to demonstrate frame independence of the Lorentz-invariant amplitudes. Analysis of the matrix elements in the asymmetric frame is performed at several values of the momentum transfer squared, −𝑡, ranging from 0.17 to 2.29 GeV 2 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1985

Dynamic Creep Buckling: Analysis of Shell Structures Subjected to Time-dependent Mechanical and Thermal Loading

The objective of the present research is to develop a general mathematical model and solution methodologies for analyzing the structural response of thin, metallic shell structures under large transient, cyclic, or static thermomechanical loads. Among the system responses associated with these loads and conditions are thermal buckling, creep buckling, and ratcheting. Thus geometric and material nonlinearities (of high order) can be anticipated and must be considered in developing the mathematical model. A complete, true ab-initio rate theory of kinematics and kinetics for continuum and curved thin structures, without any restriction on the magnitude of the strains or the deformations, was formulated. The time dependence and large strain behavior are incorporated through the introduction of the time rates of metric and curvature in two coordinate systems: fixed (spatial) and convected (material). The relations between the time derivative and the covariant derivative (gradient) were developed for curved space and motion, so the velocity components supply the connection between the equations of motion and the time rates of change of the metric and curvature tensors.

Simitses, G. J.↗

DOE OSTI2025

Search for charged-lepton flavour violation in top quark interactions with an up-type quark, a muon, and a $τ$ lepton in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for charged-lepton flavour violation (CLFV) in top quark (t) production and decay is presented. The search uses proton-proton collision data corresponding to 138 fb$^{-1}$ collected with the CMS experiment at $\sqrt{s}$ = 13 TeV. The signal consists of the production of a single top quark via a CLFV interaction or top quark pair production followed by a CLFV decay. The analysis selects events containing a hadronically decaying $τ$ lepton and a muon of opposite electric charge, as well as at least three jets, one of which is identified as originating from the fragmentation of a bottom quark. Machine learning classification techniques are used to distinguish signal from standard model background events. The results of this search are consistent with the standard model expectations. The upper limits at 95% confidence level on the branching fraction $\mathcal{B}$ for CLFV top quark decays to a muon, a $τ$ lepton, and an up or a charm quark are set at $\mathcal{B}$(t $\to$ $μτ$u) $\lt$ (0.04, 0.08, and 0.12) $\times$ 10$^{-6}$, and $\mathcal{B}$(t $\to$ $μτ$c) $\lt$ (0.81, 1.71, and 2.05) $\times$ 10$^{-6}$ for scalar, vector, and tensor-like operators, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2011

MASCOT - MATLAB Stability and Control Toolbox

MASCOT software was created to provide the conceptual aircraft designer accurate predictions of air vehicle stability and control characteristics. The code takes as input mass property data in the form of an inertia tensor, aerodynamic loading data, and propulsion (i.e. thrust) loading data. Using fundamental non-linear equations of motion, MASCOT then calculates vehicle trim and static stability data for any desired flight condition. Common predefined flight conditions are included. The predefined flight conditions include six horizontal and six landing rotation conditions with varying options for engine out, crosswind and sideslip, plus three takeoff rotation conditions. Results are displayed through a unique graphical interface developed to provide stability and control information to the conceptual design engineers using a qualitative scale indicating whether the vehicle has acceptable, marginal, or unacceptable static stability characteristics. This software allows the user to prescribe the vehicle s CG location, mass, and inertia tensor so that any loading configuration between empty weight and maximum take-off weight can be analyzed. The required geometric and aerodynamic data as well as mass and inertia properties may be entered directly, passed through data files, or come from external programs such as Vehicle Sketch Pad (VSP). The current version of MASCOT has been tested with VSP used to compute the required data, which is then passed directly into the program. In VSP, the vehicle geometry is created and manipulated. The aerodynamic coefficients, stability and control derivatives, are calculated using VorLax, which is now available directly within VSP. MASCOT has been written exclusively using the technical computing language MATLAB . This innovation is able to bridge the gap between low-fidelity conceptual design and higher-fidelity stability and control analysis. This new tool enables the conceptual design engineer to include detailed static stability and trim constraints in the conceptual design loop. The unique graphical interface developed for this tool presents the stability data in a format that is understandable by the conceptual designer, yet also provides the detailed quantitative results if desired.

Kenny, Sean↗

DOE OSTI2025

Chiral-odd generalized parton distributions in the large-𝑁 𝑐 limit of QCD: Spin-flavor structure, polynomiality, and sum rules

We study the nonperturbative properties of the nucleon’s chiral-odd generalized parton distributions (transversity GPDs) in the large-𝑁 𝑐 limit of QCD. This includes the parametric ordering of the spin-flavor components, the polynomiality property of the moments, and the sum rules connecting the GPDs with the tensor form factors. A multipole expansion in the transverse momentum transfer is used to enumerate and interpret the structures in the nucleon matrix element of the chiral-odd partonic operator, including monopole, dipole and quadrupole terms. The 1/𝑁 𝑐 expansion of the GPDs is performed using the abstract mean-field picture of baryons in the large-𝑁 𝑐 limit and its symmetries. We derive a large-𝑁 𝑐 relation between the flavor-nonsinglet GPDs 𝐸$^{𝑢−𝑑}_𝑇$ and $\tilde{𝐻}^{𝑢−𝑑}_𝑇$ and test it with recent lattice QCD results. We show that the polynomiality property and sum rules of the GPDs are fulfilled with the restricted realization of translational and rotational invariance in the mean-field picture. The results provide a basis for the phenomenological analysis of chiral-odd GPDs and hard exclusive processes in the large-𝑁 𝑐 limit, and for calculations in specific dynamical models.

generalized parton distributions↗

NASA NTRS1997

Damage Initiation and Ultimate Tensile Strength of Scaled [0 deg n/90 deg n/0 deg n]sub T Graphite-Epoxy Coupons

Previous research on scaling effects in composite materials has demonstrated that the stress levels at first ply failure and ultimate failure of composite laminates are dependent on the size of the laminate. In particular, the thickness dimension has been shown to be the most influential parameter in strength scaling of composite coupons loaded in tension. Geometrically and constitutively scaled laminates exhibit decreasing strength with increasing specimen size, and the magnitude of the strength-size effect is a function of both material properties and laminate stacking sequence. Some of the commonly used failure criteria for composite materials such as maximum stress, maximum strain, and tensor polynomial (e.g., Tsai-Wu) cannot account for the strength-size effect. In this paper, three concepts are developed and evaluated for incorporating size dependency into failure criteria for composite materials. An experimental program of limited scope was performed to determine the first ply failure stress in scaled cross-ply laminates loaded in tension. Test specimens were fabricated of AS-4/3502 graphite-epoxy composite material with laminate stacking sequences of [0 deg n/90 deg n/o deg n]subT where n=1-6. Two experimental techniques were used to determine first ply failure, defined as a transverse matrix crack in the 90 deg ply: (1) step loading with dye penetrant x-ray of the specimen at each load interval, and (2) acoustic emission. The best correlation between first ply failure analysis and experimental data was obtained using a modified Weibull approach which incorporated the residual thermal stress and the outer ply constraint, as well as the ply thickness effect. Finally, a second set of experiments was performed to determine the tensile response and ultimate failure of the scaled cross-ply laminates. The results of these experiments indicated no influence of specimen size on tensile response or ultimate strength.

Jackson, Karen E.↗