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At least 541 records · Page 30

Efficient sampling of constrained high-dimensional theoretical spaces with machine learning

Abstract Models of physics beyond the Standard Model often contain a large number of parameters. These form a high-dimensional space that is computationally intractable to fully explore. Experimental results project onto a subspace of parameters that are consistent with those observations, but mapping these constraints to the underlying parameters is also typically intractable. Instead, physicists often resort to scanning small subsets of the full parameter space and testing for experimental consistency. We propose an alternative approach that uses generative models to significantly improve the computational efficiency of sampling high-dimensional parameter spaces. To demonstrate this, we sample the constrained and phenomenological Minimal Supersymmetric Standard Models subject to the requirement that the sampled points are consistent with the measured Higgs boson mass. Our method achieves orders of magnitude improvements in sampling efficiency compared to a brute force search.

Hollingsworth, Jacob↗

The role of the Heisenberg principle in constrained molecular dynamics model

In this study, we implement the Heisenberg principle into the Constrained Molecular Dynamics model with a similar approach to the Pauli principle using the one-body occupation probability $\bar{f}_i$. Results of the modified and the original model with comparisons to data are given. The binding energies and the radii of light nuclei obtained with the modified model are more consistent with the experimental data than the original one. The collision term and the density distribution are tested through a comparison to p+ 12 C elastic scattering data. Some simulations for fragmentation and superheavy nuclei production are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Accelerated Constrained Sparse Tensor Factorization on Massively Parallel Architectures

This study presents the first constrained sparse tensor factorization (cSTF) framework that optimizes and fully offloads computation to massively parallel GPU architectures, and the first performance characterization of cSTF on GPU architectures. In contrast to prior work on tensor factorization, where the matricized tensor times Khatri-Rao product (MTTKRP) is the primary performance bottleneck, our systematic analysis of the cSTF algorithm on GPUs reveals that adding constraints creates an additional bottleneck in the update operation for many real-world sparse tensors. While executing the update operation on the GPU brings significant speedup over its CPU counterpart, it remains a significant bottleneck. To further accelerate the update operation, we propose cuADMM, a new update algorithm that leverages algorithmic and code optimization strategies to minimize both computation and data movement on GPUs. As a result, our framework delivers significantly improved performance compared to prior state-of-the-art. On 10 real-world sparse tensors, our framework achieves geometric mean speedup of 5.1 × (max 41.59 ×) and 7.01 × (max 58.05 ×) on the NIVIDA A100 and H100 GPUs, respectively, over the state-of-the-art SPLATT library running on a 26-core Intel Ice Lake Xeon CPU.

Soh, Yongseok↗

CHMMPY: A python package for constrained Hidden Markov Models

SAND2025-11909O chmmpy software analyzes multivariate timeseries data to detect patterns. It uses a Hidden Markov Model (HMM) and application-specific constraints that reflect known relationships among hidden states to accomplish this. The chmmpy software provides a generic framework for expressing application-specific constraints and supporting constrained HMM inference using optimization solvers. chmmpy is available on GitHub. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William↗

Deep Learning Parameterization of Vertical Wind Velocity Variability via Constrained Adversarial Training

Atmospheric models with typical resolution in the tenths of kilometers cannot resolve the dynamics of air parcel ascent, which varies on scales ranging from tens to hundreds of meters. Small-scale wind fluctuations are thus characterized by a subgrid distribution of vertical wind velocity W with standard deviation σ W . The parameterization of σ W is fundamental to the representation of aerosol–cloud interactions, yet it is poorly constrained. Using a novel deep learning technique, this work develops a new parameterization for σ W merging data from global storm-resolving model simulations, high-frequency retrievals of W , and climate reanalysis products. The parameterization reproduces the observed statistics of σ W and leverages learned physical relations from the model simulations to guide extrapolation beyond the observed domain. Incorporating observational data during the training phase was found to be critical for its performance. The parameterization can be applied online within large-scale atmospheric models, or offline using output from weather forecasting and reanalysis products.

54 ENVIRONMENTAL SCIENCES↗

A Regime-Oriented Approach to Observationally Constraining Extratropical Shortwave Cloud Feedbacks

The extratropical shortwave (SW) cloud feedback is primarily due to increases in extratropical liquid cloud extent and optical depth. Here, we examine the response of extratropical (35°–75°) marine cloud liquid water path (LWP) to a uniform 4-K increase in sea surface temperature (SST) in global climate models (GCMs) from phase 5 of the Coupled Model Intercomparison Project (CMIP5) and variants of the HadGEM3-GC3.1 GCM. Compositing is used to partition data into periods inside and out of cyclones. The response of extratropical LWP to a uniform SST increase and associated atmospheric response varies substantially among GCMs, but the sensitivity of LWP to cloud controlling factors (CCFs) is qualitatively similar. When all other predictors are held constant, increasing moisture flux drives an increase in LWP. Increasing SST, holding all other predictors fixed, leads to a decrease in LWP. The combinations of these changes lead to LWP, and by extension reflected SW, increasing with warming in both hemispheres. Observations predict an increase in reflected SW over oceans of 0.8–1.6 W m -2 per kelvin SST increase (35°–75°N) and 1.2–1.9 W m -2 per kelvin SST increase (35°–75°S). This increase in reflected SW is mainly due to increased moisture convergence into cyclones because of increasing available moisture. The efficiency at which converging moisture is converted into precipitation determines the amount of liquid cloud. Thus, cyclone precipitation processes are critical to constraining extratropical cloud feedbacks

58 GEOSCIENCES↗

The Impact of Constrained Data Assimilation on the Forecasts of Three Convection Systems During the ARM MC3E Field Campaign

A constrained data assimilation (CDA) system based on the ensemble variational (EnVar) method and physical constraints of mass and water conservations is evaluated through three convective cases during the Midlatitude Continental Convective Clouds Experiment (MC3E) of the Atmospheric Radiation Measurement (ARM) program. Compared to the original data assimilation (ODA), the CDA is shown to perform better in the forecasted state variables and simulated precipitation. The CDA is also shown to greatly mitigate the loss of forecast skills in observation denial experiments when radar radial winds are withheld in the assimilation. Modifications to the algorithm and sensitivities of the CDA to the calculation of the time tendencies in the constraints are described.

54 ENVIRONMENTAL SCIENCES↗

A Surrogate-Based Asynchronous Decomposition Technique for Realistic Security-Constrained Optimal Power Flow Problems

Here we present a decomposition approach for obtaining good feasible solutions for the security-constrained, alternating-current, optimal power flow (SC-AC-OPF) problem at an industrial scale and under real-world time and computational limits. The approach was designed while preparing and participating in ARPA-E’s Grid Optimization Competition (GOC) Challenge 1. The challenge focused on a near-real-time version of the SC-AC-OPF problem, where a base operating point is optimized, taking into account possible single-element contingencies, after which the system adapts its operating point following the response of automatic frequency droop controllers and voltage regulators. Our solution approach for this problem relies on state-of-the-art nonlinear programming algorithms, and it employs nonconvex relaxations for complementarity constraints, a specialized two-stage decomposition technique with sparse approximations of recourse terms and contingency ranking and prescreening. The paper describes and justifies our approach and outlines the features of its implementation, including functions and derivatives evaluation, warm-starting strategies, and asynchronous parallelism. We discuss the results of the independent benchmark of our approach by ARPA-E’s GOC team in Challenge 1, where it was found to consistently produce high-quality solutions across a wide range of network sizes and difficulty, and conclude by outlining future extensions of the approach.

97 MATHEMATICS AND COMPUTING↗

Applying Constrained Bayesian Optimization to the Design of Critical Experiments

Often when planning a criticality experiment, many design configurations are iteratively investigated with a Monte Carlo transport code. The goal is that the experiment will be optimal with respect to some variable, like the fraction of fissions occurring at a certain energy range, while simultaneously being critical. Unfortunately, the Monte Carlo transport simulations are expensive, which can ultimately limit the number of configurations that can be explored. In this work, we present how Gaussian processes (GPs) can be used as a reduced-order model in a constrained Bayesian optimization (CBO) algorithm to design a criticality experiment. The GPs replace the Monte Carlo transport simulations that explore the design space. The CBO algorithm efficiently identifies new points in the design space to run the Monte Carlo transport code while respecting the criticality constraint. It does so in a manner that both improves the accuracy of the GP and finds the approximate global optimum. We demonstrate the performance of CBO with the design of a Thermal Epithermal eXperiment (TEX) for the criticality safety validation of nuclear waste models of the Hanford Tank Farm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Developing a data-driven method to constrain the antiproton background in the Mu2e experiment

The Mu2e experiment will search for CLFV neutrinoless coherent muon to electron conversion in the field of an Al nucleus. The expected signal is a 104.97 MeV/c monochromatic $e^-$ (CE). CE-like $e^-$’s could also come from $\bar{p}$’s annihilating in the Stopping Target (ST). The background induced by $\bar{p}$’s is expected to be low but has a large systematic uncertainty. It cannot be suppressed by the time window cut used to reduce the prompt background. However, $p\bar{p}$ annihilation in the ST is the only source of events in the Mu2e detector with multiple tracks coming from the ST, simultaneous in time, each with a momentum in the signal window region. We exploited this unique feature and developed algorithms to identify and reconstruct multi-track events. This paper discusses the status and prospects of this data-driven method to constrain the $\bar{p}$ background at Mu2e.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Constraining Bedrock Groundwater Residence Times in a Mountain System with Environmental Tracer Observations and Bayesian Uncertainty Quantification: Modeling and Data Package

Groundwater residence times provide fundamental descriptions of hydrologic dynamics and mixing processes in mountainous watersheds. Yet, few observational datasets that can constrain groundwater residence times over broad timescales are available in high elevation mountain systems. Here we present field observations from May 2021 of dissolved noble gases (He, Ne, Ar, Kr, and Xe), Chloroflourcarbons (CFCs), Sulfurhexaflouride (SF6), and tritium (3H) sampled from the Pumphouse Lower Montane study site (wells PLM1, PLM6, and PLM7) within the East River Watershed, Colorado. The presented noble gas (PLM_noblegas_2021.csv) and environmental tracer (PLM_tracers_2021.csv) observation datasets, along with the associated modeling scripts, aide in quantifying groundwater residence times and recharge conditions in a high elevation mountain system. Furthermore, the modeling scripts quantify groundwater residence time and noble gas recharge condition uncertainties using a novel Markov-chain Monte Carlo approach. All data modeling scripts are written in the Python code.

54 ENVIRONMENTAL SCIENCES↗

Using Cosmogenic 10 Be Exposure Dating and Lichenometry to Constrain Holocene Glaciation in the Central Brooks Range, Alaska

Here we compile new and previously published lichenometric and cosmogenic 10 Be moraine ages to summarize the timing of Holocene glacier expansions in the Brooks Range, Arctic Alaska. Foundational lichenometric studies suggested that glaciers likely grew to their Holocene maxima as early as the middle Holocene, followed by several episodes of moraine building prior to, and throughout, the last millennium. Previously published 10 Be ages on Holocene moraine boulders from the north-central Brooks Range constrain the culmination of maximum Holocene glacier advances between 4.6 ka and 2.6 ka. New 10 Be ages of moraine boulders from two different valleys in the central Brooks Range published here show that maximum Holocene glacial extents in these valleys were reached by 3.5 ka and ca. 2.6 ka, supporting previous studies showing that Holocene maximum, or near-maximum, glacial extents in the Brooks Range occurred prior to the Little Ice Age. However, in-depth reconciliations between glacier extent and local and regional climate are hampered by uncertainties associated with both lichenometry and 10 Be dating.

58 GEOSCIENCES↗

Identifying Direct SP -Converted Waves Constrains Local Induced Earthquake Depths

Abstract Seismicity in southern Kansas and northern Oklahoma in the past decade has been associated with fluid injections. In southcentral Kansas, the Wellington earthquake catalog is primarily composed of local, low-magnitude events. Approximately 22% of recorded earthquakes over a 2.5 yr period exhibit a seismic phase arriving between the direct P phase and direct S phase with particle motion similar to the P wave. This intermediate phase was identified as an S to P conversion (SP phase) occurring in the sedimentary rocks instead of the hypothesized basement to sedimentary section transition. We exploit the SP-converted phases to improve the depth accuracy of shallow earthquakes and to constrain VP/VS. The revised depth calculations further confirm that these local induced earthquakes are occurring in the shallow crystalline basement, below the sedimentary section in which fluids are injected.

Geochemistry & Geophysics↗

Constraining braneworlds with entanglement entropy

We propose swampland criteria for braneworlds viewed as effective field theories of defects coupled to semiclassical gravity. We do this by exploiting their holographic interpretation. We focus on general features of entanglement entropies and their holographic calculations. Entropies have to be positive. Furthermore, causality imposes certain constraints on the surfaces that are used holographically to compute them, most notably a property known as causal wedge inclusion. As a test case, we explicitly constrain the Dvali-Gabadadze-Porrati term as a second-order-in-derivatives correction to the Randall-Sundrum action. We conclude by discussing the implications of these criteria for the question on whether entanglement islands in theories with massless gravitons are possible in Karch-Randall braneworlds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Constraining the nuclear gluon PDF with inclusive hadron production data

The nuclear parton distribution functions (nPDFs) of gluons are known to be difficult to determine with fits of deep inelastic scattering (DIS) and Drell-Yan (DY) data alone. Therefore, the nCTEQ15 analysis of nuclear PDFs added inclusive neutral pion production data from RHIC to help in constraining the gluon. In this analysis, we present a new global analysis of nuclear PDFs based on a much larger set of single inclusive light hadron data from RHIC and the LHC. Using our new nCTEQ code (nCTEQ++) with an optimized version of INCNLO we study systematically the limitations of the theory and the impact of the fragmentation function uncertainty.

Duwentäster, Pit↗

Dynamical Self-Assembly: Constrained phase separation and mesoscale dynamics in lipid membranes (Final Report)

This final technical report summarizes scientific and technical achievements derived through the the award, DE-FG02-04ER46173 [2013-2016, 2016-2017, and 2017-2018(NCE)], for the grant proposal titled, “Dynamical Self-Assembly: Constrained phase separation and mesoscale dynamics in lipid membranes.” The effort was organized into three major scientific aims: (1) characterize the mechanism of inter-layer coupling of laterally phase-separated domains in stacked lipid bilayers; (2) characterize curvature-dependent dynamic reorganization in membrane milieu; and (3) characterize real-time effects of mechanochemical perturbations on lateral phase separation membrane bilayers. The cumulative weight of the activities, including experimental research and collaborative modeling, disseminated through the publications listed above and presentations, has addressed two over-arching objectives: (a) to abstract a physical science based understanding of fundamental rules that determine dynamic self-assembly processes in lipid bilayer membranes - a versatile class of biologically inspired interfacial complex fluids and (b) to translate these physical principles into quantitative design rules for the development of new classes of membrane-based complex materials that exhibit complex, co-operative, and adaptive behavior.

36 MATERIALS SCIENCE↗

Fast, Dynamic, and Scalable Algorithms for Large-Scale Constrained Optimization

Scientists and engineers constantly aim to optimize an objective subject to physical, environmental, and/or resource constraints. The technique of using mathematical models to formulate and find real solutions of such problems is known as mathematical optimization, a process that has become invaluable for design and discovery in numerous scientific fields. This project has focused on the design, analysis, and implementation of high-performance computing algorithms for solving cutting-edge optimization problems. These include problems that involve (1) data uncertainties, such as those in the future supply, demand, and capacity of a given power system, (2) extreme numbers of alternatives, such as in the design of electrical power grids to avoid network vulnerabilities, and (3) real-time decisions, such as in the control of chemical reactors. The key features of the new algorithms are that they are fast, dynamic, and scalable to meet the computational requirements of scientists and researchers working to optimize large-scale, complex systems. The algorithms that have been designed, analyzed, and tested as part of the project can be characterized based on the types of optimization problems they have been designed to solve. Much of the work has focused on algorithms for solving large-scale constrained optimization problems. Contributions have also been made in the design of algorithms for unconstrained optimization, with some specialized methods for solving problems that have inherent nonsmoothness. Contributions have also been made in areas that have grown to prominence in the field over the five-year award period. These include the design of algorithms for solving large-scale stochastic optimization problems, such as those that arise in large-scale machine learning, and in complexity analyses for solving nonconvex problems, which has been a focal point of much recent work in continuous optimization. Overall, the project has supported work that has led to almost 30 articles that have been published or accepted to top journals in the field of mathematical optimization.

97 MATHEMATICS AND COMPUTING↗