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At least 235 records · Page 13

Reconstructing porous media using generative flow networks

One area of intense scientific interest for the study of sandstones, carbonates, and shale at the pore scale is the use of limited image and petrophysical data to generate multiple realizations of a rock’s pore structure. Such images aid efforts to quantify uncertainty in petrophysical properties, including porosity–permeability transforms. We develop and evaluate a deep learning-based method to synthesize porous media volumes using a so-called generative flow model trained on x-ray microscope images of rock texture and pore structure. These models are optimized on a log-likelihood objective and they synthesize large and realistic three-dimensional images. Further, we demonstrate the rapid generation of sandstone image volumes that display realism as gauged by quantitative comparison of topological features using Minkowski functionals of porosity, specific surface area, and the Euler–Poincaré characteristic (i.e., pore connectivity). We also evaluate the single-phase permeability using Navier–Stokes and lattice Boltzmann methods and show that transport properties of the generated samples match measured trends.

58 GEOSCIENCES↗

Moving lens effect: Simulations, forecasts, and foreground mitigation

The peculiar motion of massive objects across the line of sight imprints a dipolar temperature anisotropy pattern on the cosmic microwave background known as the moving lens effect. This effect provides a unique probe of the transverse components of the peculiar velocity field, but has not yet been detected due to its small size. We implement and validate a stacking estimator for the moving lens signal using a galaxy catalog as a tracer of massive haloes combined with reconstructed velocities from the galaxy number density field. Using simulations, we forecast detection prospects for the moving lens signal from current and upcoming microwave background and galaxy surveys. Here, we demonstrate a new foreground mitigation strategy likely sufficient for current datasets, and discuss various sources of systematic error and noise. Upcoming galaxy surveys will provide high-significance statistical detections of the moving lens effect.

Astrophysical & cosmological simulations↗

ROOT’s RNTuple I/O Subsystem: The Path to Production

The RNTuple I/O subsystem is ROOT’s future event data file format and access API. It is driven by the expected data volume increase at upcoming HEP experiments, e.g. at the HL-LHC, and recent opportunities in the storage hardware and software landscape such as NVMe drives and distributed object stores. RNTuple is a redesign of the TTree binary format and API and has shown to deliver substantially faster data throughput and better data compression both compared to TTree and to industry standard formats. In order to let HENP computing workflows benefit from RNTuple’s superior performance, however, the I/O stack needs to connect efficiently to the rest of the ecosystem, from grid storage to (distributed) analysis frameworks to (multithreaded) experiment frameworks for reconstruction and ntuple derivation. With the RNTuple binary format soon arriving at its first production release, we present RNTuple’s feature set, integration efforts, and its performance impact on the time-to-solution. We show the latest performance figures of RDataFrame analysis code of realistic complexity, comparing RNTuple and TTree as data sources. We discuss RNTuple’s approach to functionality critical to the HENP I/O (such as multithreaded writes, fast data merging, schema evolution) and we provide an outlook on the road to its use in production.

Blomer, Jakob↗

Search in diphoton and dielectron final states for displaced production of Higgs or Z bosons with the ATLAS detector in s = 13 TeV p p collisions

A search is presented for displaced production of Higgs bosons or Z bosons, originating from the decay of a neutral long-lived particle (LLP) and reconstructed in the decay modes H → γ γ and Z → ee . The analysis uses the full Run 2 dataset of proton-proton collisions delivered by the LHC at an energy of $\sqrt{s}$ = 13 TeV between 2015 and 2018 and recorded by the ATLAS detector, corresponding to an integrated luminosity of 139 fb -1 . Exploiting the capabilities of the ATLAS liquid argon calorimeter to precisely measure the arrival times and trajectories of electromagnetic objects, the analysis searches for the signature of pairs of photons or electrons which arise from a common displaced vertex and which arrive after some delay at the calorimeter. The results are interpreted in a gauge-mediated supersymmetry breaking model with pair-produced Higgsinos that decay to LLPs, and each LLP subsequently decays into either a Higgs boson or a Z boson. The final state includes at least two particles that escape direct detection, giving rise to missing transverse momentum. No significant excess is observed above the background expectation. The results are used to set upper limits on the cross section for Higgsino pair production, up to a $\bar{χ}^0_1$ mass of 369 (704) GeV for decays with 100% branching ratio of $\bar{χ}^0_1$ to Higgs (Z) bosons for a $\bar{χ}^0_1$ lifetime of 2 ns. A model-independent limit is also set on the production of pairs of photons or electrons with a significant delay in arrival at the calorimeter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analysis of the laser welding keyhole using inline coherent imaging

Laser beam welding is a widely used fusion welding process in many industrial applications such as automotive, aerospace, energy, defense, and medical products. Industry has a fundamental need to model the laser welding process to minimize experimental testing and improve confidence in production welds. However, computational models attempting to predict weld formation are limited by an incomplete understanding of the beam-material interactions. As a consequence, these models do not accurately predict the mechanisms associated with laser weld formation. To improve the current state of prediction capabilities, it is vital to better detect/measure the physical aspects of the weld pool during high energy density welding. In this work, a novel real-time laser weld monitoring device using inline coherent imaging (ICI) was used to provide a fundamental understanding of laser weld formation via vaporization. The objective of this work was to investigate and quantify the relationship relating laser weld parameters and the vapor capillary (keyhole) through a state-of-the-art measurement technique. Bead-on-plate laser beam welds were produced with partial penetration on 304L stainless steel, 2205 duplex stainless steel, and Ti-6Al-4V. Keyhole monitoring was performed using a commercially available ICI system to collect keyhole penetration data in real time. These measurements were reconstructed to generate the vapor capillary shape at different welding parameters. Process parameters significantly influenced the keyhole shape and the keyhole root position relative to the process beam. Finally, the keyhole geometry showed distinct differences between the stainless steel alloys and Ti-6Al-4V.

2205↗

Adaptive Cyber-Physical Resilience for Building Control Systems

The main goal of the project is to develop an AI-based process layer cybersecurity suite for detection, isolation and mitigation of cyber-attack effects on operation of building energy management systems (BEMS). The following constituent key technologies were developed under the program towards fulfilling the program objectives: (1) developed a high fidelity BEMS testbed for generation of training data and validation of developed technologies; (2) developed a physics informed ML based attack detection and localization module (ADL) capable of detecting high impact stealthy attacks (HISA - attacks causing 30% energy utilization but no immediate visible impact otherwise) with 98% accuracy; (3) developed a methodology to determine ’representative days’ to limit the data required for training; (4) developed a virtual sensing system that can reconstruct affected sensors with 10% error for the same HISA set; (5) developed a resilient model predictive control system that can continue operation of the BEMS without jeopardizing stability for the HISA set; and (6) integrated and deployed all the constituent modules and demonstrated the efficacy of the technology in real-time in a hardware in loop simulation.

42 ENGINEERING↗

Attentional Ptycho-Tomography (APT) for three-dimensional nanoscale X-ray imaging with minimal data acquisition and computation time

Abstract Noninvasive X-ray imaging of nanoscale three-dimensional objects, such as integrated circuits (ICs), generally requires two types of scanning: ptychographic, which is translational and returns estimates of the complex electromagnetic field through the IC; combined with a tomographic scan, which collects these complex field projections from multiple angles. Here, we present Attentional Ptycho-Tomography (APT), an approach to drastically reduce the amount of angular scanning, and thus the total acquisition time. APT is machine learning-based, utilizing axial self-Attention for Ptycho-Tomographic reconstruction. APT is trained to obtain accurate reconstructions of the ICs, despite the incompleteness of the measurements. The training process includes regularizing priors in the form of typical patterns found in IC interiors, and the physics of X-ray propagation through the IC. We show that APT with ×12 reduced angles achieves fidelity comparable to the gold standard Simultaneous Algebraic Reconstruction Technique (SART) with the original set of angles. When using the same set of reduced angles, then APT also outperforms Filtered Back Projection (FBP), Simultaneous Iterative Reconstruction Technique (SIRT) and SART. The time needed to compute the reconstruction is also reduced, because the trained neural network is a forward operation, unlike the iterative nature of these alternatives. Our experiments show that, without loss in quality, for a 4.48 × 93.2 × 3.92 µm 3 IC (≃6 × 10 8 voxels), APT reduces the total data acquisition and computation time from 67.96 h to 38 min. We expect our physics-assisted and attention-utilizing machine learning framework to be applicable to other branches of nanoscale imaging, including materials science and biological imaging.

47 OTHER INSTRUMENTATION↗

In situ Detection of Plasma Induced Surface Interaction based on Deep Learning based Visual Diagnostics (Technical Report)

It is characteristic for many plasma devices to undergo plasma-material interaction leading to surface erosion. These processes, often not easily detectable, lead to changes in device performance and lifespan. State-of-the-art lifetime tests and wear experiments require over 1000s hours. A self-consistent model for accurately predicting the erosion's effects is not available. In situ detection of these processes is not a trivial task since the surface variations at the early stages have a micron scale. Such limitations not only restrict testing and prediction capabilities but also slow the development of new thrusters and limit mission duration. To address these challenges, an in-situ diagnostic for real-time erosion assessment has been developed, aiming to expedite lifetime testing and broaden experimental campaigns. Several works were dedicated to real-time and in situ monitoring of material erosion during plasma exposure using laser holography, microscopy, and with telemicroscopes. However, the applicability of these approaches is limited due to complexity, cost and less flexibility as they often require placing diagnostic equipment inside the vacuum chamber. In collaboration with Princeton Collaborative Research Facility (PCRF), Princeton Plasma Physics Laboratory (PPPL), a new diagnostic approach is developed, where geometry modifications to the ceramic channel walls were introduced that would result in accelerated channel erosion. We employed Long-distance microscope (LDM) imagery, combined with Deep-Learning based Shape from focus or depth from focus (DFF or SFF) approach, that provides an accessible and cost-effective solution. LDM employs focus variation techniques to continuously capture multiple images of the target object at distinct focal planes. DFF, an optical focus variation method, generates a 3D topographical surface depth map from a sequence of variably focused images. Combined with the developed diagnostic, this approach offers a controllable means to study erosion under accelerated conditions. In this work, we develop Neural Network-based DFF algorithm applicable for LDM data to quantitatively evaluate plasma induced surface modification from LDM data. Next, we develop Deep Learning-based super-resolution depth map image reconstruction technique to increase the resolution of depth maps obtained from DFF algorithm to improve the accuracy of erosion measurements. Thirdly, we develop several image processing techniques to remove noise and improve the quality of depth map image. Here we report the results of initial tests for this approach. An experimental setup designed and built in PPPL was employed that consists of a 3-cm gridded ion source that produces a neutralized argon beam with energies up to 600 eV. A hexagonal boron nitride (h-BN) ceramic target, designed based on computational predictions, was used. Tests were conducted to reconstruct the complex geometry of the target under the lighting conditions of the operated ion source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Center-of-Mass Corrections in Associated Particle Imaging

Associated particle imaging (API) utilizes the inelastic scattering of neutrons produced in deuterium-tritium (DT) fusion reactions to obtain 3-D isotopic distributions within an object. The locations of the inelastic scattering centers are calculated by measuring the arrival time and position of the associated alpha particle produced in the fusion reactions, and the arrival time of the prompt gamma created in the neutron scattering event. While the neutron and its associated particle move in opposite directions in the center-of-mass (COM) system, in the laboratory system the angle is slightly less than 180°, and the COM movement must be taken into account in the reconstruction of the scattering location. Furthermore, the fusion reactions are produced by ions of different momenta, and thus the COM velocity varies, resulting in an uncertainty in the reconstructed positions. In this article, we analyze the COM corrections to this reconstruction by simulating the energy loss of beam ions in the target material and identifying sources of uncertainty in these corrections. Here we show that an average COM velocity calculated using the ion beam direction and energy can be used in the reconstruction and discuss errors as a function of ion beam energy, composition, and alpha detection location. When accounting for the COM effect, the mean of the reconstructed locations can be considered a correctable systematic error leading to a shift/tilt in the reconstruction. However, the distribution of reconstructed locations also have a spread that will introduce an error in the reconstruction that cannot be corrected. In this article, we will use the known stopping powers of ions in materials and reaction cross sections to examine the reconstruction uncertainties. We also discuss the impact of this effect on our API system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Two-Step Control Approach for Torque Ripple and Vibration Reduction in Switched Reluctance Motor Drives

The objective of this work is to reduce the torque ripple and vibration in Switched Reluctance Motor (SRM) drives. To achieve such a goal, a two-step approach is proposed. In the first step, the reference current is profiled using an optimization method, aimed to reduce the torque pulsation. In the second, the optimum current profile is applied to the SRM through an adaptive hysteresis band controller to actively cancel the radial vibration. The proposed technique uses an optimization procedure based on the Field Reconstruction Method (FRM) and Non-Derivative Optimization Method to find the optimal current profile that mitigates the torque pulsation, however, the investigation has shown that the proposed excitation leads to a higher radial vibration, which has been mitigated by using an adaptive hysteresis band controller. The theoretical basis for the proposed approach is initially presented, followed by system modeling and simulation. In addition, experimental verification has been conducted using an 8/6 SRM to show the feasibility of the proposed approach. The proposed method alleviates the acoustic noise and torque pulsation in SRM and offers an effective step towards the prevalent use of SRM in a wide range of applications.

42 ENGINEERING↗

The tree of life describes a tripartite cellular world

The canonical view of a 3-domain (3D) tree of life was recently challenged by the discovery of Asgardarchaeota encoding eukaryote signature proteins (ESPs), which were treated as missing links of a 2-domain (2D) tree. Here we revisit the debate. We discuss methodological limitations of building trees with alignment-dependent approaches, which often fail to satisfactorily address the problem of ‘‘gaps.’’ In addition, most phylogenies are reconstructed unrooted, neglecting the power of direct rooting methods. Alignment-free methodologies lift most difficulties but require employing realistic evolutionary models. We argue that the discoveries of Asgards and ESPs, by themselves, do not rule out the 3D tree, which is strongly supported by comparative and evolutionary genomic analyses and vast genomic and biochemical superkingdom distinctions. Given uncertainties of retrodiction and interpretation difficulties, we conclude that the 3D view has not been falsified but instead has been strengthened by genomic analyses. In turn, the objections to the 2D model have not been lifted. The debate remains open. Also see the video abstract here: https://youtu.be/-6TBN0bubI8

59 BASIC BIOLOGICAL SCIENCES↗

Interlaboratory Study of Digital Volume Correlation Error Due to X-Ray Computed Tomography Equipment and Scan Parameters: an Update from the DVC Challenge

Background: The quality of Digital Volume Correlation (DVC) full-field displacement measurements depends directly on the characteristics of the X-ray Computed Tomography (XCT) equipment, and scan procedures used to acquire the tomographic images. Objective: In this work, we seek to experimentally study the effects of XCT equipment and tomographic scan procedures on the quality of these images for DVC analysis, and to survey the level of DVC error that may be achieved using standard XCT operating procedures. Methods: Six participants in an interlaboratory study acquired high-quality XCT scans of a syntactic foam before and after rigid body motion. The resulting images were correlated using commercial DVC software to quantify error sources due to random image noise, reconstruction artifacts, as well as systematic spatial or temporal distortion. Results: In the absence of rigid body motion, the standard deviation of the displacement measurements ranged from 0.012 to 0.043 voxels using a moderate subvolume size, indicating that subvoxel measurement resolution could readily be achieved with a variety of XCT equipment and scan recipes. Comparison of consecutive scans without rigid body motion showed transient dilatational displacement gradients due to self-heating of the X-ray source and/or thermal expansion of the foam. Evaluation of the scans after rigid body motion showed significant, machine-specific spatial distortion in the displacement fields of up to 0.5 voxels; new approaches to remove this error need to be developed. Conclusions: Analysis of the scan protocols used in the interlaboratory study, as well as a complementary parametric sensitivity study, showed that the DVC error was strongly influenced by the XCT equipment, but could be mitigated by adjusting the total scan duration.

47 OTHER INSTRUMENTATION↗

The Next Generation of MeV Energy X-ray Sources for Use in the Inspection of Additively Manufactured Parts for Industry

In September 2022, we investigated whether we can change the way we perform non-destructive characterization (NDC) of dense, micrometer-scale objects, e.g., additively manufactured (AM) parts, using the BELLA inverse Compton source (ICS). X-ray computed tomography (CT) is the most suitable technique for NDC of these objects, but often requires x-rays with MeV energy for penetration, sub-mm spatial resolution for small structures, a narrow spectrum for low-artifact images, and the ability to tune x ray energy to image a wide range of materials. The BELLA ICS has the unique potential to produce such an x-ray beam with a repetition rate high enough for CT. We scanned a geometric calibration phantom, fabricated by LLNL, a bearing, and an AM part manufactured by Renishaw. We reconstructed the first CT images of their kind. The results are very promising, and LLNL will present our findings at an SPIE conference.

42 ENGINEERING↗

Bias free multiobjective active learning for materials design and discovery

The design rules for materials are clear for applications with a single objective. For most applications, however, there are often multiple, sometimes competing objectives where there is no single best material and the design rules change to finding the set of Pareto optimal materials. In this work, we leverage an active learning algorithm that directly uses the Pareto dominance relation to compute the set of Pareto optimal materials with desirable accuracy. We apply our algorithm to de novo polymer design with a prohibitively large search space. Using molecular simulations, we compute key descriptors for dispersant applications and drastically reduce the number of materials that need to be evaluated to reconstruct the Pareto front with a desired confidence. This work showcases how simulation and machine learning techniques can be coupled to discover materials within a design space that would be intractable using conventional screening approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

Component pose reconstruction using a single robotic total station for panelized building envelopes

The construction industry can benefit greatly from increased automation in construction processes in terms of precision, time, and labor costs. This is especially true for prefabricated construction for either new buildings or envelope retrofits. Here, prefabricated components are manufactured offsite according to design specifications and installed onsite. Accurate information on the component’s position and orientation (pose) is needed to achieve this. A tool named “Real-Time Evaluator” (RTE), designed to autonomously track prefabricated components as they are being installed and provide real-time installation instructions, is currently under development using a single robotic total station. This is challenging since at least three points are needed to determine the pose of an object in space. To achieve this goal with a single robotic total station, two key algorithms were developed: the “resection” algorithm aligns the digital twin with the physical twin regardless of the location of the total station, and the “transformation” algorithm gives instructions of translations and rotations to installers to achieve the desired installation pose. The algorithms were evaluated experimentally on a lab-scale demonstration. Results show that the resection algorithm achieved an average error of < 3.1 mm, while the transformation algorithm predicted the rotation angle along a single axis with an error of < 0.5◦.

Tang, Mengjia↗

Performance of heavy-flavour jet identification in Lorentz-boosted topologies in proton-proton collisions at √(s) = 13 TeV

Measurements in the highly Lorentz-boosted regime provoke increased interest in probing the Higgs boson properties and in searching for particles beyond the standard model at the LHC. In the CMS Collaboration, various boosted-object tagging algorithms, designed to identify hadronic jets originating from a massive particle decaying to bb̅ or cc̅, have been developed and deployed across a range of physics analyses. This paper highlights their performance on simulated events, and summarizes novel calibration techniques using proton-proton collision data collected at √(s) = 13 TeV during the 2016–2018 LHC data-taking period. Three dedicated methods are used for the calibration in multijet events, leveraging either machine learning techniques, the presence of muons within energetic boosted jets, or the reconstruction of hadronically decaying high-energy Z bosons. The calibration results, obtained through a combination of these approaches, are presented and discussed.

Pattern recognition↗