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At least 199 records · Page 11

Reaching for the Edge I: probing the outskirts of massive galaxies with HSC, DECaLS, SDSS, and Dragonfly

ABSTRACT The outer light (stellar haloes) of massive galaxies has recently emerged as a possible low scatter tracer of dark matter halo mass. To test the robustness of outer light measurements across different data sets, we compare the 1D azimuthally averaged surface brightness profiles of massive galaxies using four independent data sets: the Hyper Suprime-Cam survey (HSC), the Dark Energy Camera Legacy Survey (DECaLS), the Sloan Digital Sky Survey (SDSS), and the Dragonfly Wide Field Survey (Dragonfly). We test the sky subtraction and proposed corrections for HSC and DECaLS. For galaxies at z < 0.05, Dragonfly has the best control of systematics, reaching surface brightness levels of μr ≈ 30 mag arcsec−2. At 0.19 < z < 0.50, HSC can reliably recover individual surface brightness profiles to μr ≈ 28.5 mag arcsec−2 (R = 100–150 kpc in semimajor axis). In a statistical sense, DECaLS agrees with HSC to R > 200 kpc. DECaLS and HSC measurements of the stellar mass contained within 100 kpc agree within 0.05 dex. Finally, we use weak lensing to show that measurements of outer light with DECaLS at 0.19 < z < 0.50 show a similar promise as HSC as a low scatter proxy of halo mass. The tests and results from this paper represent an important step forward for accurate measurements of the outer light of massive galaxies and demonstrate that outer light measurements from DECam imaging will be a promising method for finding galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗

Hyperspectral and Nanosecond Temporal Resolution Widefield Infrared Photothermal Heterodyne Imaging

Label-free, bond-selective imaging offers new opportunities for fundamental and applied studies in chemistry, biology, and materials science. Preventing its broader application to investigating spectrally congested specimens are issues related to low sensitivity as well as low spatial and temporal resolution. Here, we demonstrate a widefield, mid-infrared (MIR) photothermal imaging technique, called widefield Infrared Photothermal Heterodyne imaging (wIR-PHI), that massively parallelizes acquisition of MIR absorption data through use of a high-speed complementary metal-oxide-semiconductor camera. wIR-PHI possesses notable features that include: spatial resolution significantly below the MIR diffraction limit, hyperspectral imaging capabilities, high sensitivity, and ~100 ns temporal resolution. Here, the first two features are highlighted by hyperspectral imaging of proximally close poly(methyl methacrylate) (PMMA) and polystyrene (PS) nanoparticles where clear, bond-specific imaging of nanoparticles, separated by less than the MIR diffraction limit, is demonstrated. Sensitivity is highlighted by imaging individual PMMA and PS nanoparticles with radii between r = 97-556 nm. This leads to a current, peak absorption cross-section limit-of-detection of σ abs = 1.9× 10 –16 cm 2 . wIR-PHI's 100 ns temporal resolution is simultaneously demonstrated by observing the decay of photothermal contrast on individual nanoparticles on a ~200-6000 ns timescale. In whole, wIR-PHI’s dramatic increase in acquisition speed opens opportunities for future MIR kinetic imaging and spectroscopic studies of important chemical, biological, and material processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

State predictive information bottleneck

We report the ability to make sense of the massive amounts of high-dimensional data generated from molecular dynamics simulations is heavily dependent on the knowledge of a low-dimensional manifold (parameterized by a reaction coordinate or RC) that typically distinguishes between relevant metastable states, and which captures the relevant slow dynamics of interest. Methods based on machine learning and artificial intelligence have been proposed over the years to deal with learning such low-dimensional manifolds, but they are often criticized for a disconnect from more traditional and physically interpretable approaches. To deal with such concerns, in this work we propose a deep learning based state predictive information bottleneck approach to learn the RC from high-dimensional molecular simulation trajectories. We demonstrate analytically and numerically how the RC learnt in this approach is connected to the committor in chemical physics and can be used to accurately identify transition states. A crucial hyperparameter in this approach is the time delay or how far into the future the algorithm should make predictions about. Through careful comparisons for benchmark systems, we demonstrate that this hyperparameter choice gives useful control over how coarse-grained we want the metastable state classification of the system to be. We thus believe that this work represents a step forward in systematic application of deep learning based ideas to molecular simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SV-Sim: Scalable PGAS-based State Vector Simulation of Quantum Circuits

High-performance quantum circuit simulation in a classic HPC is still imperative in the NISQ era. Observing that the major obstacle of scalable state-vector quantum simulation arises from the massively fine-grained irregular data-exchange with remote nodes, in this paper we present SV-Sim to apply the emerging PGAS-based communication models (i.e., direct peer access for intra-node CPUs/GPUs and SHMEM for inter-node CPU/GPU clusters) for efficient scalable quantum circuit simulation. Through an orchestrated device functional pointer design, SV-Sim is able to abstract the quantum gate sets across various heterogeneous backends, including IBM/Intel/AMD CPUs, NVIDIA /AMD GPUs, and Intel MIC, in a unified framework, but still asserting outstanding performance and tractable interface to higher-level quantum programming environments, such as IBM Qiskit, Microsoft Q\# and Google Cirq. Circumventing the disability of polymorphism in GPUs and leveraging the device-initiated one-sided communication, SV-Sim can process dynamically synthesized quantum circuit in a single GPU/CPU kernel without the need of expensive JIT or runtime branching, significantly improving the performance and simplifying the programming complexity for the emerging variational quantum algorithms. Evaluations on NVIDIA A100-DGX-1, V100-DGX-2, AMD MI100, ALCF Theta, and OLCF Summit HPCs show that SV-Sim can delivery scalable performance on various state-of-the-art HPC platforms, offering a useful tool for quantum algorithm validation and verification.

Li, Ang↗

Electro-optic sampling of classical and quantum light

Full characterization of electric-field waveforms in amplitude and phase is achieved across the terahertz to visible spectral range through interaction with an optical pulse shorter than a half-cycle period via the Pockels (linear electro-optic) effect. This technique of electro-optic sampling has become an indispensable tool in various areas, including ultrafast pump-probe, time-domain and frequency-comb spectroscopies, quantum optics, high-harmonic generation, and attosecond science, and holds great promise for further advances. Not only does it enable spectroscopic measurements with record dynamic range and temporal resolution, along with massively parallel real-time spectral data acquisition, but its remarkable sensitivity also allows the detection of vacuum fluctuations, i.e., “zero-point motion” of electric fields, profoundly impacting our understanding of the fundamental laws of nature.

Benea-Chelmus, Ileana-Cristina (ORCID:000000024814↗

SST-GPU: A Scalable SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of unprecedented amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗

Dark Field Proton Radiography (Los Alamos LDRD Report)

Proton radiography at LANL (pRad) takes advantage of the high flux, high proton energy, and flexible timing structure of LANSCE's 800-MeV proton beam to visualize dense, dynamic systems under extreme strain. With recent needs identified for the development of the W93, the pRad team has been actively searching for ways to increase the facility's radiographic capabilities. Recently, we discovered that utilizing two magnetic lenses (one upstream and one downstream of the object), and specific combinations of collimator choices within the two lenses, that the signal-to-noise ratio was improved by more than a factor of two. However, we did not fully understand the mechanism, and found that results did not match forward modeling predictions. This work specifically sought to implement an engineering solution to solve this problem, through the development of an actuated collimator that reduced the time required to swap collimator settings from a typical 4-8 hours, to less than 30 seconds. This allowed, in combination with a unique multi-material, multi-resolution stepwedge, to acquire an unprecedently enormous dataset, with in total 24 collimation combinations, and multiple diffuser settings and pulse patterns, equivalent to almost a full run cycle's worth of data in a few days. This massive dataset is currently being harnessed to make a fully-predictive, ultra-fast Python-based model of the system, to dial in specific settings for any future experiments that fully optimize that radiographic sensitivity to the material of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DESI-253.2534+26.8843: A New Einstein Cross Spectroscopically Confirmed with Very Large Telescope/MUSE and Modeled with GIGA-Lens

Gravitational lensing provides unique insights into astrophysics and cosmology, including the determination of galaxy mass profiles and constraining cosmological parameters. We present spectroscopic confirmation and lens modeling of the strong lensing system DESI-253.2534+26.8843, discovered in the Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Surveys data. This system consists of a massive elliptical galaxy surrounded by four blue images forming an Einstein Cross pattern. We obtained spectroscopic observations of this system using the Multi Unit Spectroscopic Explorer on ESO's Very Large Telescope and confirmed its lensing nature. The main lens, which is the elliptical galaxy, has a redshift of z L1 = 0.636 ± 0.001, while the spectra of the background source images are typical of a starburst galaxy and have a redshift of z s = 2.597 ± 0.001. Additionally, we identified a faint galaxy foreground of one of the lensed images, with a redshift of z L2 = 0.386. We employed the GIGA-Lens modeling code to characterize this system and determined the Einstein radius of the main lens to be ${\theta }_{{\rm{E}}}=2\buildrel{\prime\prime}\over{.} {520}_{-0.031}^{+0.032}$, which corresponds to a velocity dispersion of σ = 379 ± 2 km s –1 . Our study contributes to a growing catalog of this rare kind of strong lensing system and demonstrates the effectiveness of spectroscopic integral field unit observations and advanced modeling techniques in understanding the properties of these systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Effective Field Theory Analysis of CDMSlite Run 2 Data

CDMSlite Run 2 was a search for weakly interacting massive particles (WIMPs) with a cryogenic 600 g Ge detector operated in a high-voltage mode to optimize sensitivity to WIMPs of relatively low mass from 2 - 20 GeV/$c^2$. In this article, we present an effective field theory (EFT) analysis of the CDMSlite Run 2 data using an extended energy range and a comprehensive treatment of the expected background. A binned likelihood Bayesian analysis was performed on the recoil energy data, taking into account the parameters of the EFT interactions and optimizing the data selection with respect to the dominant background components. Energy regions within 5$\sigma$ of known activation peaks were removed from the analysis. The Bayesian evidences resulting from the different operator hypotheses show that the CDMSlite Run 2 data are consistent with the background-only models and do not allow for a signal interpretation assuming any additional EFT interaction. Consequently, upper limits on the WIMP mass and coupling-coefficient amplitudes and phases are presented for each EFT operator. These limits improve previous CDMSlite Run 2 bounds for WIMP masses above 5 GeV/$c^2$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Towards a study protocol: A data-driven workflow to identify error sources in direct ink write mechatronics

Abstract Using Direct Ink Write (DIW) technology in a rapid and large-scale production requires reliable quality control for printed parts. Data streams generated during printing, such as print mechatronics, are massive and diverse which impedes extracting insights. In our study protocol approach, we developed a data-driven workflow to understand the behavior of sensor-measured X- and Y- axes positional errors with process parameters, such as print velocity and velocity control. We uncovered patterns showing that instantaneous changes in the velocity, when the build platform accelerates and decelerates, largely influence the positional errors, especially in the X- axis due to the hardware architecture. Since DIW systems share similar mechatronic inputs and outputs, our study protocol approach is broadly applicable and scalable across multiple systems. Graphical abstract

36 MATERIALS SCIENCE↗

Editorial: Themed issue on data-intensive water systems management and operation

The water sector increasingly looks at intensified instrumentation, data collection and automation as tools for daily use. Still, a massive opportunity remains to fully embrace emerging methods and technologies, such as artificial intelligence, data analytics, low-cost sensor hardware, and cloud computing. Indeed, sensing and automation technology has already infiltrated many facets of society. As such, the time is ripe to evaluate the role of novel technologies for systems monitoring, diagnostics, and automation of aquatic processes and large-scale water systems. When leveraged, the water sector will do more with less.

54 ENVIRONMENTAL SCIENCES↗

OzDES Reverberation Mapping of Active Galactic Nuclei: Final Data Release, Black-Hole Mass Results, & Scaling Relations

Over the last decade, the Australian Dark Energy (OzDES) collaboration has used Reverberation Mapping to measure the masses of high redshift supermassive black holes. Here we present the final review and analysis of this OzDES reverberation mapping campaign. These observations use 6-7 years of photometric and spectroscopic observations of 735 Active Galactic Nuclei (AGN) in the redshift range 0.13-3.85 and bolometric luminosity range 44.3 - 47.5 erg/s. Both photometry and spectra are observed in visible wavelengths, allowing for the physical scale of the AGN broad line region to be estimated from reverberations of the H{̱e̱ṯa̱}̱, MgII and CIV emission lines. We successfully use reverberation mapping to constrain the masses of 62 super-massive black holes, and combine with existing data to fit a power law to the lag-luminosity relation for the H{̱e̱ṯa̱}̱ and MgII lines with a scatter of ~0.25 dex, the tightest yet identified, fit specifically for consistency with high redshift AGN. We fit a similarly constrained relation for CIV, resolving a tension with the low luminosity literature AGN by accounting for selection effects arising from finite survey length. We also examine the impact of emission line width and luminosity (related to accretion rate) in reducing the scatter of these scaling relationships and find no significant improvement over the lag-only approach for any of the three lines. Using these relations, we further estimate the masses and accretion rates of 246 AGN with single epoch methods. We also use these relations to estimate the relative sizes of the H{̱e̱ṯa̱}̱, MgII and CIV emitting regions. In short, we provide a comprehensive benchmark of high redshift AGN reverberation mapping at the close of this most recent generation of surveys, including light curves, time-delays, and a set of significantly improved radius-luminosity relations for use with high-redshift populations.

McDougall, Hugh [Queensland U.]↗

Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement

The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urban management. Despite their effectiveness, these applications often rely on massive amounts of high-dimensional and multi-domain data for monitoring and characterizing different urban sub-systems, presenting challenges in application areas that are limited by data quality and availability, as well as costly efforts for generating urban scenarios and design alternatives. As an emerging research area in deep learning, Generative Artificial Intelligence (GenAI) models have demonstrated their unique values in content generation. This paper aims to explore the innovative integration of GenAI techniques and urban digital twins to address challenges in the planning and management of built environments with focuses on various urban sub-systems, such as transportation, energy, water, and building and infrastructure. The survey starts with the introduction of cutting-edge generative AI models, such as the Generative Adversarial Networks (GAN), Variational Autoencoders (VAEs), Generative Pre-trained Transformer (GPT), followed by a scoping review of the existing urban science applications that leverage the intelligent and autonomous capability of these techniques to facilitate the research, operations, and management of critical urban subsystems, as well as the holistic planning and design of the built environment. Based on the review, we discuss potential opportunities and technical strategies that integrate GenAI models into the next-generation urban digital twins for more intelligent, scalable, and automated smart city development and management.

3D city modeling↗

A dictionary learning algorithm for compression and reconstruction of streaming data in preset order

There has been an emerging interest in developing and applying dictionary learning (DL) to process massive datasets in the last decade. Many of these efforts, however, focus on employing DL to compress and extract a set of important features from data, while considering restoring the original data from this set a secondary goal. On the other hand, although several methods are able to process streaming data by updating the dictionary incrementally as new snapshots pass by, most of those algorithms are designed for the setting where the snapshots are randomly drawn from a probability distribution. In this paper, we present a new DL approach to compress and denoise massive dataset in real time, in which the data are streamed through in a preset order (instances are videos and temporal experimental data), so at any time, we can only observe a biased sample set of the whole data. Here, our approach incrementally builds up the dictionary in a relatively simple manner: if the new snapshot is adequately explained by the current dictionary, we perform a sparse coding to find its sparse representation; otherwise, we add the new snapshot to the dictionary, with a Gram-Schmidt process to maintain the orthogonality. To compress and denoise noisy datasets, we apply the denoising to the snapshot directly before sparse coding, which deviates from traditional dictionary learning approach that achieves denoising via sparse coding. Compared to full-batch matrix decomposition methods, where the whole data is kept in memory, and other mini-batch approaches, where unbiased sampling is often assumed, our approach has minimal requirement in data sampling and storage: i) each snapshot is only seen once then discarded, and ii) the snapshots are drawn in a preset order, so can be highly biased. Through experiments on climate simulations and scanning transmission electron microscopy (STEM) data, we demonstrate that the proposed approach performs competitively to those methods in data reconstruction and denoising.

97 MATHEMATICS AND COMPUTING↗

Satellite Data Applications for Sustainable Energy Transitions

Transitioning to a sustainable energy system poses a massive challenge to communities, nations, and the global economy in the next decade and beyond. A growing portfolio of satellite data products is available to support this transition. Satellite data complement other information sources to provide a more complete picture of the global energy system, often with continuous spatial coverage over targeted areas or even the entire Earth. We find that satellite data are already being applied to a wide range of energy issues with varying information needs, from planning and operation of renewable energy projects, to tracking changing patterns in energy access and use, to monitoring environmental impacts and verifying the effectiveness of emissions reduction efforts. While satellite data could play a larger role throughout the policy and planning lifecycle, there are technical, social, and structural barriers to their increased use. We conclude with a discussion of opportunities for satellite data applications to energy and recommendations for research to maximize the value of satellite data for sustainable energy transitions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Capturing the Physics of MaNGA Galaxies with Self-supervised Machine Learning

As available data sets grow in size and complexity, advanced visualization tools enabling their exploration and analysis become more important. In modern astronomy, integral field spectroscopic galaxy surveys are a clear example of increasing high dimensionality and complex data sets, which challenges the traditional methods used to extract the physical information they contain. Here, we present the use of a novel self-supervised machine-learning method to visualize the multidimensional information on stellar population and kinematics in the MaNGA survey in a 2D plane. Our framework is insensitive to nonphysical properties such as the size of the integral field unit and is therefore able to order galaxies according to their resolved physical properties. Using the extracted representations, we study how galaxies distribute based on their resolved and global physical properties. We show that even when exclusively using information about the internal structure, galaxies naturally cluster into two well-known categories, rotating main-sequence disks and massive slow rotators, from a purely data-driven perspective, hence confirming distinct assembly channels. Low-mass rotation-dominated quenched galaxies appear as a third cluster only if information about the integrated physical properties is preserved, suggesting a mixture of assembly processes for these galaxies without any particular signature in their internal kinematics that distinguishes them from the two main groups. The framework for data exploration is publicly released with this publication, ready to be used with the MaNGA or other integral field data sets.

79 ASTRONOMY AND ASTROPHYSICS↗

Frictionless knowledge injection for few-shot learning

Cutting-edge machine learning methods often require large volumes of curated training data, precluding their use in national security problems with rare events in massive datasets. We present a method for incorporating abstract knowledge into models tailored for sparse data. A subject matter expert defines salient concepts using data examples, which are encoded in the model’s embedding space. Models are then trained to respect these concepts. This method enables knowledge injection, yielding effective models with limited labeled data and the ability to assess model sensitivity for subject matter expertise across the nonproliferation mission space, as demonstrated with Raman spectra analysis.

Stomps, Jordan [ORNL] (ORCID:0000000178114479)↗