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At least 181 records · Page 10

“Understanding Robustness Lottery”: A Geometric Visual Comparative Analysis of Neural Network Pruning Approaches

Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks are very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but our understanding of the pruning process remains limited due to the black-box nature of a neural network model. Empirical studies show that some heuristics improve performance whereas others can make models more brittle. Here, this work aims to shed light on how different pruning methods alter the network’s internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We evaluated a set of critical geometric concepts decomposed from the commonly adopted classification loss and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for an in-depth comparison of pruning methods and a comprehensive understanding of how the model responds to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundancy in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption.

Li, Zhimin [Univ. of Utah, Salt Lake City, UT (Uni↗

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗

Experiment and non-local crystal plasticity finite element study of nanoindentation on Al-8Ce-10Mg alloy

Cerium and magnesium strengthened aluminum alloys, or Al-Ce-Mg, is a recently developed alloy family that exhibits good mechanical properties at elevated temperatures (~300 °C). To examine the single-crystal properties of Al-Ce-Mg alloys, nanoindentation experiments are conducted in this study. A crystal plasticity finite element model (CPFEM) with the evolution of geometrically necessary dislocations (GNDs) is applied to simulate the indentation in individual grains. A parametric study is carried out to investigate the sensitivity of each crystal plasticity model parameter to the indentation behavior. The highly sensitive parameters are calibrated by matching the indentation load-depth curves, while the rest parameters are obtained from bulk polycrystal uniaxial tension tests. Overall, satisfactory matching between experiment and simulation is obtained for each individual grain. The calculated hardness, as determined from the experiment, shows the dependence on indent depth, which is captured by the GND model. Furthermore, the effect of grain orientation and neighboring grains to nanoindentation behavior have been discussed with the comparison between the simulation and experiments.

36 MATERIALS SCIENCE↗

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

20 FOSSIL-FUELED POWER PLANTS↗

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

42 ENGINEERING↗

Parametric reduced order models for graded lattice structures

Graded lattice structures, characterized by smoothly varying mechanical properties, hold significant promise for optimizing material distribution in advanced engineering applications. However, accurately modeling these structures poses substantial computational challenges due to the continuous geometric variations within their unit cells. Here, to address these challenges, this paper introduces a novel Efficient Reduced Order Model (EROM) that integrates the Matrix Discrete Empirical Interpolation Method (MDEIM) and Discrete Empirical Interpolation Method (DEIM) with polynomial regression to efficiently manage geometric parametrization in lattice structures. Unlike traditional reduced order models (ROMs) that require extensive precomputed libraries for each geometric configuration, our approach enables continuous geometric variations through a flexible algebraic formulation, significantly reducing computational costs while preserving high accuracy. The method constructs projection matrices for individual unit cells that can be efficiently assembled into global systems, leveraging the repetitive nature of lattice structures. Numerical studies demonstrate that our EROM achieves displacement errors below 1% and von Mises stress prediction errors below 4%, coupled with computational speedups exceeding two orders of magnitude compared to full-order simulations. The proposed method's modularity and scalability make it particularly suitable for design optimization and real-time simulation of functionally graded lattice structures, with applications spanning aerospace to biomedical engineering.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

EWPD in the SMEFT to dimension eight

We calculate the O H † H 2 / Λ 4 corrections to LEP electroweak precision data using the geometric formulation of the Standard Model Effective Field Theory (SMEFT). We report our results in simple-to-use interpolation tables that allow the interpretation of this data set to dimension eight for the first time. We demonstrate the impact of these previously unknown terms in the case of a general analysis in the SMEFT, and also in the cases of two distinct models matched to dimension eight. Neglecting such dimension-eight corrections to LEP observables introduces a theoretical error in SMEFT studies. We report some preliminary studies defining such a theory error, explicitly demonstrating the effect of previously unknown dimension-eight SMEFT corrections on LEP observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

PQ axiverse

We show that the strong CP problem is solved in a large class of compactifications of string theory. The Peccei-Quinn mechanism solves the strong CP problem if the CP-breaking effects of the ultraviolet completion of gravity and of QCD are small compared to the CP-preserving axion potential generated by low-energy QCD instantons. We characterize both classes of effects. To understand quantum gravitational effects, we consider an ensemble of flux compactifications of type IIB string theory on orientifolds of Calabi-Yau hypersurfaces in the geometric regime, taking a simple model of QCD on D7-branes. We show that the D-brane instanton contribution to the neutron electric dipole moment falls exponentially in N 4 , with N the number of axions. In particular, this contribution is negligible in all models in our ensemble with N > 17. We interpret this result as a consequence of large N effects in the geometry that create hierarchies in instanton actions and also suppress the ultraviolet cutoff. We also compute the CP breaking due to high-energy instantons in QCD. In the absence of vectorlike pairs, we find contributions to the neutron electric dipole moment that are not excluded, but that could be accessible to future experiments if the scale of supersymmetry breaking is sufficiently low. The existence of vectorlike pairs can lead to a larger dipole moment. Finally, we show that a significant fraction of models are allowed by standard cosmological and astrophysical constraints.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improved machine learning algorithm for predicting ground state properties

Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only $\mathcal{O}$(log(n)) data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require $\mathcal{O}$(n c ) data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as $\mathcal{O}$(n log n) in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A generalized approach to x-ray data modeling for high-energy-density plasma experiments

Accurate understanding of x-ray diagnostics is crucial for both interpreting high-energy-density experiments and testing simulations through quantitative comparisons. X-ray diagnostic models are complex. Past treatments of individual x-ray diagnostics on a case-by-case basis have hindered universal diagnostic understanding. Here, in this study, we derive a general formula for modeling the absolute response of non-focusing x-ray diagnostics, such as x-ray imagers, one-dimensional space-resolved spectrometers, and x-ray power diagnostics. The present model is useful for both data modeling and data processing. It naturally accounts for the x-ray crystal broadening. The new model verifies that standard approaches for a crystal response can be good approximations, but they can underestimate the total reflectivity and overestimate spectral resolving power by more than a factor of 2 in some cases near reflectivity edge features. We also find that a frequently used, simplified-crystal-response approximation for processing spectral data can introduce an absolute error of more than an order of magnitude and the relative spectral radiance error of a factor of 3. The present model is derived with straightforward geometric arguments. It is more general and is recommended for developing a unified picture and providing consistent treatment over multiple x-ray diagnostics. Such consistency is crucial for reliable multi-objective data analyses.

Nagayama, Taisuke↗

Oak Ridge National Laboratory Building Envelope Library (ORNOBEL)

The Oak Ridge National Laboratory Building Envelope Library (ORNOBEL) is a collection of dense exterior building-facade point clouds acquired using a survey-grade terrestrial laser scanner. Each file represents an individual facade from a building on the Oak Ridge National Laboratory (ORNL) campus or in Knoxville, Tennessee, with an average point-cloud resolution of approximately 3 mm. The points in each facade are semantically labeled into three classes: (1) window/door, representing openings in the building envelope; (2) wall, representing planar opaque envelope surfaces; and (3) other, representing the remaining facade-adjacent elements, architectural features, and protrusions. ORNOBEL supports the development, training, and evaluation of advanced deep-learning methods for automated building-envelope segmentation, geometric reconstruction, and building information modeling (BIM).

Maldonado Puente, Bryan [ORNL] (ORCID:000000033880↗

New capabilities of the MORET 6 Monte Carlo neutron transport code

The MORET code is a simulation tool that solves the transport equation for neutrons using the Monte Carlo method. It allows users to model complex three-dimensional geometrical configurations in a user-friendly way. New features have been introduced to extend the application field of MORET beyond the usual criticality calculations for which it has been initially designed. The most important change is the addition of an analog fixed source mode which allows studies of systems of any reactivity combined with very flexible outputs. Other useful improvements have been added concerning the geometric part, the fission matrix, the multigroup sensitivity coefficients and the outputs. This paper presents an overview of these new features. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Model Development and Analysis of a High-Fidelity Neutron Transport Sensor: The Quadrupole Detector Concept for Measurement of the Neutron Flux Gradient

Accurate reconstruction of the neutron flux distribution within a reactor core is essential for safe and efficient reactor operation. Traditional power shape synthesis in Light Water Reactors relies on hundreds of in-core detectors. However, this approach becomes impractical for Advanced Reactors and Microreactors due to limited space and harsh environments. To address this challenge, we propose a data-driven methodology that combines high-fidelity modeling with real-time ex-core sensor measurements, enabling the reconstruction of core power distribution while minimizing the reliance on intrusive in-core instrumentation. This project began in FY24 and achieved two initial milestones: (1) the definition of a three-year development plan for a Digital Twin framework and (2) the development of high-fidelity neutronics models of the Purdue University Reactor One (PUR-1) using both MCNP6 and OpenMC. The PUR-1 reactor, a zero-power facility, was selected due to its suitability for neutronics-focused modeling and the availability of experimental data for validation. Both models were benchmarked using neutron flux measurements obtained from irradiated gold foils, which were strategically placed within the core during a dedicated campaign in July 2024. This report marks the continuation and completion of those foundational tasks. The OpenMC model has been refined (improved geometric accuracy, expanded cross-section libraries, and refined sampling) and validated using additional experimental data. An updated sensor design—based on quadrupole configuration—was designed to measure both ex-core flux and its spatial gradient. These measurements will serve as inputs to a neural network-based reconstruction algorithm. Finally, the methodology was demonstrated on a two-dimensional test case representative of the heterogeneous material composition of the PUR-1 reactor core. A neural network implementation of the Kirchhoff-Helmholtz integral equation was employed to solve the boundary value problem using peripheral sensor measurements. The preliminary results confirm the strong potential of the proposed approach for accurate and minimally invasive neutron flux reconstruction.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Nonlinear controller for nonlinear wave energy converters

The present invention is directed to a nonlinear controller for nonlinear wave energy converters (WECs). As an example of the invention, a nonlinear dynamic model is developed for a geometrically right-circular cylinder WEC design for the heave-only motion, or a single degree-of-freedom (DOF). The linear stiffness term is replaced by a nonlinear cubic hardening spring term to demonstrate the performance of a nonlinear WEC as compared to an optimized linear WEC. By exploiting the nonlinear physics in the nonlinear controller, equivalent power and energy capture, as well as simplified operational performance is observed for the nonlinear cubic hardening spring controller when compared to an optimized linear controller.

Wilson, David G.↗

A Vertex-Aligned Model for Packing 4-Hexagonal Clusters in a Regular Hexagonal Container

This paper deals with a problem the packing polyhex clusters in a regular hexagonal container. It is a common problem in many applications with various cluster shapes used, but symmetric polyhex is the most useful in engineering due to its geometrical properties. Hence, we concentrate on mathematical modeling in such an application, where using the “bee” tetrahex is chosen for the new Compact Muon Solenoid (CMS) design upgrade, which is one of four detectors used in Large Hadron Collider (LHC) experiment at European Laboratory for Particle Physics (CERN). We start from the existing hexagonal containers with hexagonal cells packed inside, and uniform clustering applied. We compare the center-aligned (CA) and vertex-aligned (VA) models, analyzing cluster rotations providing the increased packing efficiency. We formally describe the geometrical properties of clustering approaches and show that cluster sharing is inevitable at the container border with uniform clustering. In addition, we propose a new vertex-aligned model decreasing the number of shared clusters in the uniform scenario, but with a smaller number of clusters contained inside the container. Also, we describe a non-uniform tetrahex cluster packing scheme in the proposed container model. With the proposed cluster packing solution, it is accomplished that all clusters are contained inside the container region. Since cluster-sharing is completely avoided at the container border, the maximal packing efficiency is obtained compared to the existing models.

97 MATHEMATICS AND COMPUTING↗

Gauge symmetry breaking with fluxes and natural Standard Model structure from exceptional GUTs in F-theory

We give a general description of gauge symmetry breaking using vertical and remainder fluxes in 4D F-theory models. The fluxes can break a geometric gauge group to a smaller group and induce chiral matter, even when the larger group admits no chiral matter representations. We focus specifically on applications to realizations of the Standard Model gauge group and chiral matter spectrum through breaking of rigid exceptional gauge groups E 7 , E 6 , which are ubiquitous in the 4D F-theory landscape. Supplemented by an intermediate SU(5) group, these large classes of models give natural constructions of Standard Model-like theories with small numbers of generations of matter in F-theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗

Reduced‐Order Modeling of Energetic Materials Using Physics‐Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC)

Physics-aware deep learning (PADL) has gained popularity for use in spatiotemporal dynamics simulations, such as those in computational modeling of energetic materials (EM). We show that the challenge PADL methods face while learning complex field evolution problems can be simplified and accelerated by decoupling it into two tasks: learning complex geometric features in evolving fields and modeling dynamics over these features in a lower-dimensional feature space. We build upon our previous work on physics-aware recurrent convolutional neural networks (PARC). PARC embeds knowledge of underlying physics into its neural network architecture for more robust and accurate prediction of evolving physical fields. PARC was shown to effectively learn complex nonlinear features such as the formation of hotspots and coupled shock fronts in various initiation scenarios of EMs, as a function of microstructures, serving effectively as a microstructure-aware burn model. Here, we further accelerate PARC and reduce its computational cost by projecting the original dynamics onto a lower-dimensional invariant manifold, or “latent space.” The projected latent representation encodes the complex geometry of evolving fields (e.g., temperature and pressure) in a set of data-driven features. The reduced dimension of this latent space allows us to learn the dynamics during the initiation of EM with a lighter and more efficient model. We observe a significant decrease in training and inference time while maintaining results comparable to PARC at inference. This work takes steps towards enabling rapid prediction of EM thermomechanics at larger scales and characterization of EM structure–property–performance linkages at a full application scale.

Mathematics and Computing↗