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At least 1,135 records · Page 63

Parameter inference from event ensembles and the top-quark mass

One of the key tasks of any particle collider is measurement. In practice, this is often done by fitting data to a simulation, which depends on many parameters. Sometimes, when the effects of varying different parameters are highly correlated, a large ensemble of data may be needed to resolve parameter-space degeneracies. An important example is measuring the top-quark mass, where other physical and unphysical parameters in the simulation must be profiled when fitting the top-quark mass parameter. We compare four different methodologies for top-quark mass measurement: a classical histogram fit similar to one commonly used in experiment augmented by soft-drop jet grooming; a 2D profile likelihood fit with a nuisance parameter; a machine-learning method called DCTR; and a linear regression approach, either using a least-squares fit or with a dense linearly-activated neural network. Despite the fact that individual events are totally uncorrelated, we find that the linear regression methods work most effectively when we input an ensemble of events sorted by mass, rather than training them on individual events. Although all methods provide robust extraction of the top-quark mass parameter, the linear network does marginally best and is remarkably simple. For the top study, we conclude that the Monte-Carlo-based uncertainty on current extractions of the top-quark mass from LHC data can be reduced significantly (by perhaps a factor of 2) using networks trained on sorted event ensembles. More generally, machine learning from ensembles for parameter estimation has broad potential for collider physics measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Pantheon+ Analysis: The Full Data Set and Light-curve Release

Abstract Here we present 1701 light curves of 1550 unique, spectroscopically confirmed Type Ia supernovae (SNe Ia) that will be used to infer cosmological parameters as part of the Pantheon+ SN analysis and the Supernovae and H 0 for the Equation of State of dark energy distance-ladder analysis. This effort is one part of a series of works that perform an extensive review of redshifts, peculiar velocities, photometric calibration, and intrinsic-scatter models of SNe Ia. The total number of light curves, which are compiled across 18 different surveys, is a significant increase from the first Pantheon analysis (1048 SNe), particularly at low redshift ( z ). Furthermore, unlike in the Pantheon analysis, we include light curves for SNe with z < 0.01 such that SN systematic covariance can be included in a joint measurement of the Hubble constant ( H 0 ) and the dark energy equation-of-state parameter ( w ). We use the large sample to compare properties of 151 SNe Ia observed by multiple surveys and 12 pairs/triplets of “SN siblings”—SNe found in the same host galaxy. Distance measurements, application of bias corrections, and inference of cosmological parameters are discussed in the companion paper by Brout et al., and the determination of H 0 is discussed by Riess et al. These analyses will measure w with ∼3% precision and H 0 with ∼1 km s −1 Mpc −1 precision.

79 ASTRONOMY AND ASTROPHYSICS↗

Uncertainty quantification for equations of state: copper as an example

Equations of state are essential for providing a fundamental description of materials properties in thermodynamic equilibrium and are used to provide closure relations for hydrodynamics simulations. Generally, equations of state rely on simple physics-based parameterized materials models to inform on the free energy of a material through out a given thermodynamic state space. Historically the parameters of these models have been tuned by hand to fit various experimental data. However, modern optimization and uncertainty quantification techniques allow us to quickly test thousands of parameter combinations and obtain meaningful uncertainty estimates on the parameters, opening opportunities for assessing systematic uncertainties in experiments, assessing model adequacy, and more. In this report, we use Bayesian inference to fit the solid (fcc) equation of state of copper. We focus on fitting five different experimental datasets, including the isobaric density, isobaric heat capacity, room temperature isotherm, principal isentrope, and principal Hugoniot. We fit all five data types simultaneously, and then explore the extent to which combinations of 2 subsets of the 5 datasets can constrain the EOS parameters, as compared to the fit to all 5. This information is useful for investigating the extent to which different datasets can con strain EOS models and thereby help guide experimental investigations in order to best constrain the EOS. We also discuss ways that the methodologies can be used to investigate systematic discrepancies between experiments, as well as how the methods can be used to assess model uncertainty. The framework we develop is general, in that it can be used with a variety of optimization or uncertainty quantification techniques and with a variety of data sources, including both experimental and ab-inito data.

97 MATHEMATICS AND COMPUTING↗

Kernel learning backward SDE filter for data assimilation

In this paper, we develop a kernel learning backward SDE filter method to estimate the state of a stochastic dynamical system based on its partial noisy observations. A system of forward backward stochastic differential equations is used to propagate the state of the target dynamical model, and Bayesian inference is applied to incorporate the observational information. Further, to characterize the dynamical model in the entire state space, we introduce a kernel learning method to learn a continuous global approximation for the conditional probability density function of the target state by using discrete approximated density values as training data. Numerical experiments demonstrate that the kernel learning backward SDE is highly effective.

97 MATHEMATICS AND COMPUTING↗

A Variational Inference Approach to Inverse Problems with Gamma Hyperpriors

Hierarchical models with gamma hyperpriors provide a flexible, sparse-promoting framework to bridge L 1 and L 2 regularizations in Bayesian formulations to inverse problems. Despite the Bayesian motivation for these models, existing methodologies are limited to maximum a posteriori estimation. The potential to perform uncertainty quantification has not yet been realized. This paper introduces a variational iterative alternating scheme for hierarchical inverse problems with gamma hyperpriors. The proposed variational inference approach yields accurate reconstruction, provides meaningful uncertainty quantification, and is easy to implement. In addition, it lends itself naturally to conduct model selection for the choice of hyperparameters. Here, we illustrate the performance of our methodology in several computed examples, including a deconvolution problem and sparse identification of dynamical systems from time series data.

Bayesian shrinkage↗

SDSS-IV MaStar: Stellar parameter determination with continuum-supplemented full-spectrum fitting

We present a stellar parameter catalog built to accompany the MaStar Stellar Library, which is a comprehensive collection of empirical, medium-resolution stellar spectra. We constructed this parameter catalog by using a multicomponent χ 2 fitting approach to match MaStar spectra to models generated by interpolating the ATLAS9-based BOSZ model spectra. The total χ 2 for a given model is defined as the sum of components constructed to characterize narrow-band features of observed spectra (e.g., absorption lines) and the broadband continuum shape separately. Extinction and systematics due to flux calibration were taken into account in the fitting. The χ 2 distribution for a given region of model space was sampled using a Markov chain Monte Carlo (MCMC) algorithm, the data from which were then used to extract atmospheric parameter estimates (T eff , log g, [Fe/H], and [α/Fe]), their corresponding uncertainties, and direct extinction measurements. Two methods were used to extract parameters and uncertainties: one that accepts the MCMC’s prescribed minimum-χ 2 result, and one that uses Bayesian inference to compute a likelihood-weighted mean from the χ 2 distribution sampled by the MCMC. Results were evaluated for internal consistency using repeat observations where available and by comparing them with external data sets (e.g., APOGEE-2 and Gaia DR2). Our spectral-fitting exercise reveals possible deficiencies in current theoretical model spectra, illustrating the potential power of MaStar spectra for helping to improve the models. This paper represents an update to the parameters that were originally presented with SDSS-IV DR17. The MaStar parameter catalog containing our BestFit results is available on the SDSS-IV DR17 website as part of version 2 of the MaStar stellar parameter value-added catalog.

79 ASTRONOMY AND ASTROPHYSICS↗

National Ignition Campaign Data Analysis by an ICF Outsider

A simple DT burn model, with no alpha-particle warming feedback, using a combination of ICF inputs and the measured ion temperature, T, volume compression, C, ablator velocity, v, and burn width time, Δt, can reproduce the national-ignition campaign (NIC) fusion yields with a rms percent difference of ~40%. Analysis suggestion the fusion-yield reproducibility of NIC events with nominally identically measured T, C, v, and Δt is <30%. The highest fusion yields, at a fixed laser energy are obtained with depleted-uranium (DU) hohlraums and high-density carbon (HDC) ablators. Small diameter fit tubes (≤5 μm) enhance fusion yields by an average of 26±15% relative to 10-μm diameter fit tubes. A dependence of fusion yield on the diameter of the capsule relative to the diameter of the hohlraum is inferred for fixed T, C, v, and Δt. No evidence of conditions close to ignition, or alpha-particle warming is found in the existing NIC data with LEH< 2MJ. To obtain a predictive model for extrapolation proposes we map the T, C, and v into power laws as a function of LEH. The above mentioned extrapolatable model has a rms percent difference from the yields of the second half of the NIC of (56 ± 4)%. Higher (and significantly lower) DT temperatures are obtained with HDC ablators (and low-foot drives). The highest compressions are obtained via low-foot drives, but this does not compensate for the corresponding lower temperatures. An extrapolation of the presented model suggests significant alpha-particle heating at an LEH of ~5 MJ. It is hoped that others more familiar it the conditions needed for ignition will use to presented model to estimate the LEH required for ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cosmological inference from an emulator based halo model. II. Joint analysis of galaxy-galaxy weak lensing and galaxy clustering from HSC-Y1 and SDSS

Here, we present high-fidelity cosmology results from a blinded joint analysis of galaxy-galaxy weak lensing (ΔΣ) and projected galaxy clustering (w p ) measured from the Hyper Suprime-Cam Year-1 (HSC-Y1) data and spectroscopic Sloan Digital Sky Survey (SDSS) galaxy catalogs in the redshift range 0.15 < z < 0.7. We define luminosity-limited samples of SDSS galaxies to serve as the tracers of w p in three spectroscopic redshift bins, and as the lens samples for ΔΣ. For the ΔΣ measurements, we select a single sample of 4×10 6 source galaxies over 140 deg 2 from HSC-Y1 with photometric redshifts (photo z) greater than 0.75, enabling a better handle of photo- z errors by comparing the ΔΣ amplitudes for the three lens redshift bins. The deep, high-quality HSC-Y1 data enable significant detections of the ΔΣ signals, with integrated signal-to-noise ratio S/N ~ 15 in the range 3 ≤ R/[h –1 Mpc] ≤ 30 for the three lens samples, despite the small area coverage. For cosmological parameter inference, we use an input galaxy-halo connection model built on the dark emulator package (which uses an ensemble set of high-resolution N-body simulations and enables fast, accurate computation of the clustering observables) with a halo occupation distribution that includes nuisance parameters to marginalize over modeling uncertainties. We model the ΔΣ and wp measurements on scales from R≃3 and 2h –1 Mpc , respectively, up to 30 h –1 Mpc (therefore excluding the baryon acoustic oscillations information) assuming a flat Λ CDM cosmology, marginalizing over about 20 nuisance parameters and demonstrating the robustness of our results to them. With various tests using mock catalogs described in Miyatake et al. [preceding paper, Phys. Rev. D 106, 083519 (2022)], we show that any bias in the clustering amplitude S 8 ≡ σ 8 (Ω m /0.3) 0.5 due to uncertainties in the galaxy-halo connection is less than ~ 50 % of the statistical uncertainty of S 8 , unless the assembly biaseffect is unexpectedly large. Our best-fit models have S 8 = 0.795$_{-0.042}^{+0.049}$ (mode and 68% credible interval) for the flat Λ CDM model; we find tighter constraints on the quantity S 8 (α = 0.17)≡σ 8 (Ω m /0.3) 0.17 = 0.745$_{-0.031}^{+0.039}$.

79 ASTRONOMY AND ASTROPHYSICS↗

Using Ensemble Data Assimilation to Estimate Transient Hydrologic Exchange Flow Under Highly Dynamic Flow Conditions

Abstract Quantifying dynamic hydrologic exchange flows (HEFs) within river corridors that experience high‐frequency flow variations caused by dam regulations is important for understanding the biogeochemical processes at the river water and groundwater interfaces. Heat has been widely used as a tracer to infer steady‐state flow velocities through analytical solutions of heat transport defined by the diurnal temperature signals. Under sub‐daily dynamic flow conditions, however, such analytical solutions are not applicable due to the violation of their fundamental assumptions. In this study, we developed a data assimilation‐based approach to estimate the sub‐daily flux under highly dynamic flow conditions using multi‐depth temperature observations at a 5‐min resolution. If the hydraulic gradient is measured, Darcy's law was used to calculate the flux with permeability estimated from temperature responses below the riverbed. Otherwise, flux was estimated directly by assimilating multi‐depth temperature data at 1‐ or 2‐hr time intervals assuming one‐dimensional flow and heat transport governing equation. By comparing estimated fluxes with model‐generated synthetic truth, we demonstrated that both schemes have robust performance in estimating fluxes under highly dynamic flow conditions. This data assimilation‐based flux estimation method was able to capture the vertical sub‐daily fluxes using multi‐depth high‐resolution temperature data alone, even in the presence of multi‐dimensional flow. This approach has been successfully applied to real field temperature data collected at the Hanford site, which experiences highly dynamic HEFs. Our study shows the promise of adopting distributed 1‐D temperature monitoring to capture spatial and temporal exchange dynamics in river corridors at a watershed scale or beyond.

54 ENVIRONMENTAL SCIENCES↗

Lens Model Accuracy in the Expected LSST Lensed AGN Sample

Strong gravitational lensing of active galactic nuclei (AGN) enables measurements of cosmological parameters through time-delay cosmography (TDC). With data from the upcoming LSST survey, we anticipate using a sample of O(1000) lensed AGN for TDC. To prepare for this dataset and enable this measurement, we construct and analyze a realistic mock sample of 1300 systems drawn from the OM10 (Oguri & Marshall 2010) catalog of simulated lenses with AGN sources at $z<3.1$ in order to test a key aspect of the analysis pipeline, that of the lens modeling. We realize the lenses as power law elliptical mass distributions and simulate 5-year LSST i-band coadd images. From every image, we infer the lens mass model parameters using neural posterior estimation (NPE). Focusing on the key model parameters, $θ_E$ (the Einstein Radius) and $γ_{lens}$ (the projected mass density profile slope), with consistent mass-light ellipticity correlations in test and training data, we recover $θ_E$ with less than 1% bias per lens, 6.5% precision per lens and $γ_{lens}$ with less than 3% bias per lens, 8% precision per lens. We find that lens light subtraction prior to modeling is only useful when applied to data sampled from the training prior. If emulated deconvolution is applied to the data prior to modeling, precision improves across all parameters by a factor of 2. Finally, we combine the inferred lens mass models using Bayesian Hierarchical Inference to recover the global properties of the lens sample with less than 1% bias.

Venkatraman, Padmavathi [Illinois U., Urbana; KIPA↗

PISCES two-detector covariance matrix fit for the NOvA Experiment

NOvA is a long-baseline neutrino oscillation experiment with two functionally identical detectors: a Near Detector (ND) at Fermilab, placed 1 km from the neutrino source, and a Far Detector (FD) located 810 km away from the ND in Minnesota. NOvA's primary physics goals are the precise measurements of neutrino oscillation parameters $\theta_{23}$ and $\Delta m^2_{32}$ , determine the neutrino mass ordering, and constrain the value of $\delta_{CP}$, via the study of muon neutrino to electron neutrino oscillation. In the standard NOvA three-flavor analysis, oscillation parameters are extracted using an extrapolation technique in which the ND data constrain the FD prediction through a ratio method. While this allows for systematic uncertainties sharing the same effects in both detectors to cancel, it remains an FD-only fit and does not fully leverage the constraining power of the high-statistics ND. This analysis proposes a simultaneous ND+FD fit using the PISCES method. PISCES (Parameter Inference with Systematic Covariance and Exact Statistics) is a framework designed to support complex configurations such as a joint ND+FD fit. This allows PISCES to take full advantage of the ND data to directly constrain systematic uncertainties across all samples. In PISCES, systematic uncertainties are encoded in a fractional covariance matrix, and statistical uncertainties are handled with a Poisson likelihood, making the approach well suited for low-statistics samples. For interpretability, we further use a Newton–Raphson + PCA method to recover per-systematic pulls from the covariance formulation. This poster presents the full PISCES joint ND+FD fit for the NOvA three-flavor analysis, describes its implementation and evaluates its performance through extensive robustness tests and fake data studies. It also provides a comparison between the PISCES joint ND+FD results and the standard NOvA extrapolation method.

Rajaoalisoa, Miriama [Cincinnati U.] (ORCID:000000↗

TDCOSMO. VII. Boxyness/discyness in lensing galaxies: Detectability and impact on H 0

In the context of gravitational lensing, the density profile of lensing galaxies is often considered to be perfectly elliptical. Potential angular structures are generally ignored, except to explain flux ratios of point-like sources (i.e. flux ratio anomalies). Surprisingly, the impact of azimuthal structures on extended images of the source has not been characterised, nor has its impact on the H 0 inference. We address this task by creating mock images of a point source embedded in an extended source and lensed by an elliptical galaxy on which multipolar components are added to emulate boxy or discy isodensity contours. Modelling such images with a density profile free of angular structure allows us to explore the detectability of image deformation induced by the multipoles in the residual frame. Multipole deformations are almost always detectable for our highest signal-to-noise ratio (S/N) mock data. However, the detectability depends on the lens ellipticity and Einstein radius, on the S/N of the data, and on the specific lens modelling strategy. Multipoles also introduce small changes to the time-delays. We therefore quantify how undetected multipoles would impact H 0 inference. When no multipoles are detected in the residuals, the impact on H 0 for a given lens is in general less than a few k ms -1 Mpc -1 , but in the worst-case scenario, combining low S/N in the ring and large intrinsic boxyness or discyness, the bias on H0 can reach 10-12 km s -1 Mpc -1 . If we now look at the inference on H 0 from a population of lensing galaxies with a distribution of multipoles representative of what is found in the light profile of elliptical galaxies, we find a systematic bias on H 0 of less than 1%. A comparison of our mock systems to the state-of-the-art time-delay lens sample studied by the H0LiCOW and TDCOSMO collaborations indicates that multipoles are currently unlikely to be a source of substantial systematic bias on the inferred value of H 0 from time-delay lenses.

79 ASTRONOMY AND ASTROPHYSICS↗

Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic experiments, and with accelerators like GPUs and TPUs making inference using large models rapid, genome-level structure prediction becomes an obvious aim. Leadership-class computing resources can be used to perform genome-scale protein structure prediction using state-of-the-art deep learning models, providing a wealth of new data for systems biology applications. Here we describe our efforts to efficiently deploy the AlphaFold v.2 program, for full-proteome structure prediction, at scale on the Oak Ridge Leadership Computing Facility's resources, including the Summit supercomputer. We performed inference to produce the predicted structures for 40,526 protein sequences, corresponding to four prokaryotic proteomes and one plant proteome, using under 4,400 total Summit node hours, equivalent to using the majority of the supercomputer for a little over one hour. We also designed an optimized structure refinement that reduced the time for the relaxation stage of the AlphaFold pipeline by over 10X for longer sequences. We demonstrate the types of analyses that can be performed on proteome-scale collections of sequences, including a search for novel quaternary structures and implications for functional annotation.

Gao, Mu↗

Real-Time Inference For MI/RR Deblending

The Fermilab Main Injector (MI) and Recycler Ring (RR) share a common beam loss monitor (BLM) system, making loss events difficult to attribute to their source machine when beam is present in both simultaneously. The Real-time Edge AI for Distributed Systems (READS) project addresses this by deblending BLM readings in real time using machine learning (ML). The current FPGA based implementation meets the sub-3 ms latency requirement but carries a resource intensive hls4ml development cycle, motivating exploration of GPU based deployment. This paper characterizes inference latency on an NVIDIA Jetson Orin Nano and introduces a packet organization scheme for assembling synchronized event frames from seven distributed BLM DAQ streams. Using a Python based DAQ simulation with injected timing jitter in place of unavailable live beam data, the pipeline achieved an average end to end latency of 0.456 ms (σ = 0.122 ms) across 167,000 test frames, comfortably meeting the timing constraint. Early outliers were attributed to TensorRT warm-up rather than steady state limitations, suggesting GPU based inference is a viable alternative to the existing FPGA implementation.

Yu, Kellen [Cornell U.]↗

Reactivity Coefficient Measurements and Sensitivity Studies [Abstract]

Nuclear data validation is often performed today using criticality measurements. The gold standard for criticality measurements is the International Criticality Safety Benchmark Experiment Project (ICSBEP). The validation specifically focuses on the effective multiplication factor (k eff ). K eff is a relatively easy parameter to infer and has reduced uncertainty due to being at or above critical. However, while k eff is a well-documented parameter with detailed sensitivity and uncertainty analysis, it cannot be used as a standalone metric to determine inaccuracies in nuclear data (e.g., cross section data, PFNS, nu), which is based on theory, physics, and differential measurements. The Experiments Underpinned by Computational Learning for Improvements in nuclear Data (EUCLID) project aims to identify compensating errors in specific nuclear data by optimally designing experiments that are sensitive to a suite of measurement parameters beyond k eff . By identifying how each parameter's nuclear data sensitivity differs from others, experiments can be designed to constrain questionable nuclear data. One sensitivity that is of particular interest to this project includes reactivity coefficient sensitivities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Exploration of Real Time Inference for MI-RR Deblending on GPU/TPU Systems

The Fermilab Main Injector (MI) and Recycler Ring (RR) share a common beam loss monitor (BLM) system, making loss events difficult to attribute to their source machine when beam is present in both simultaneously. The Real-time Edge AI for Distributed Systems (READS) project addresses this by deblending BLM readings in real time using machine learning (ML). The current FPGA based implementation meets the sub-3 ms latency requirement but carries a resource intensive hls4ml development cycle, motivating exploration of GPU based deployment. This paper characterizes inference latency on an NVIDIA Jetson Orin Nano and introduces a packet organization scheme for assembling synchronized event frames from seven distributed BLM DAQ streams. Using a Python based DAQ simulation with injected timing jitter in place of unavailable live beam data, the pipeline achieved an average end to end latency of 0.456 ms (σ = 0.122 ms) across 167,000 test frames, comfortably meeting the timing constraint. Early outliers were attributed to TensorRT warm-up rather than steady state limitations, suggesting GPU based inference is a viable alternative to the existing FPGA implementation.

Yu, Kellen [Fermilab; Cornell U.]↗

Comets and carbonaceous chondrites delivered noble gases to the Moon

Trapped xenon isotopes in two Apollo 17 mare basalt fragments are similar to those in primitive meteorites. Xenon would have been effectively excluded from the Moon in the aftermath of its formation in a giant impact. As such, lunar mantle xenon trapped in the mare basalts is best explained as being derived from late accretion occurring before or concurrent with the formation of the lunar crust. Here, the isotopic composition indicates that a combination of comets and carbonaceous chondrites delivered this xenon to the lunar mantle. The inferred mass of accreted cometary ice would have delivered significantly less than a part per million of water to the lunar mantle. The inferred mass of accreted carbonaceous chondrites would have supplied at least a half of a part per million of water. The data further indicate that enstatite chondrites are unlikely to have supplied the majority of late accreted mass.

Chemistry↗

Empirical Dynamic Modeling Reveals Complexity of Methane Fluxes in a Temperate Salt Marsh

Abstract Methane dynamics within salt marshes are complex because vegetation types, temperature, oscillating water levels, and changes in salinity and redox conditions influence CH 4 production, consumption, oxidation, and emissions. These non‐linear and complex interactions among variables affect the traditionally expected functional relationships and present challenges for interpreting and developing process‐based models. We employed empirical dynamic modeling (EDM) and convergent cross mapping (CCM) as a novel approach for characterizing seasonal/multiday and diurnal CH 4 dynamics by inferring causal variables, lags, and interconnections among multiple biophysical variables within a temperate salt marsh using 5 years of eddy covariance data. EDM/CCM is a nonparametric approach capable of quantifying the coupling between variables while determining time scales where variable interactions are the most relevant. We found that gross primary productivity, tidal creek dissolved oxygen, and temperature were important for seasonal/multiday dynamics (rho = 0.73–0.80), while water level was most important for diurnal dynamics during both the growing and dormancy phenoperiods (rho = 0.72 and 0.56, respectively). Lags for the top‐ranked variables (i.e., gross primary productivity, dissolved oxygen, temperature, water level) occurred between 1 and 5 weeks at the seasonal scale and 1–24 hr at the diurnal scale. The EDM had high prediction capabilities for intra‐/inter‐seasonal patterns and annual CH 4 sums but had limitations in representing large, infrequent fluxes. Results highlight the importance of non‐linearity, drivers, lag times, and interconnections among multiple biophysical variables that regulate CH 4 fluxes in tidal wetlands. This research introduces a novel approach to examining CH 4 fluxes, which will aid in evaluating current paradigms in wetlands and other ecosystems.

Environmental Sciences & Ecology↗