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DOE OSTI2024

Artificial Intelligence and Machine Learning Support for Probabilistic Fracture Mechanics

In this research, artificial intelligence and machine learning (ML) methods are used to search an uncertain parameter space more efficiently for the most important inputs with respect to response sensitivities. These methods are applied to the Extremely Low Probability of Rupture (xLPR) probabilistic fracture mechanics code used at the U.S. Nuclear Regulatory Commission (NRC) in support of nuclear regulatory research. This report documents two separate but related sub-tasks: (1) ranking important uncertain input features with respect to target outputs, determined by convergence in confidence intervals for increasing sample sizes using simple random sampling; and (2) implementation of a reduced-order surrogate model for fast, approximate sample generation. Unoptimized readily available off-the-shelf ML models were used in both sub-tasks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Solving high-dimensional inverse problems using amortized likelihood-free inference with noisy and incomplete data

Here, we present a likelihood-free probabilistic inversion method based on normalizing flows for high-dimensional inverse problems. The proposed method is composed of two complementary networks: a summary network for data compression and an inference network for parameter estimation. The summary network encodes raw observations into a fixed-size vector of summary features, while the inference network generates samples of the approximate posterior distribution of the model parameters based on these summary features. The posterior samples are produced in a deep generative fashion by sampling from a latent Gaussian distribution and passing these samples through an invertible transformation. We construct this invertible transformation by sequentially alternating conditional invertible neural network and conditional neural spline flow layers. The summary and inference networks are trained simultaneously. We apply the proposed method to an inversion problem in groundwater hydrology to estimate the posterior distribution of the log-conductivity field conditioned on spatially sparse time-series observations of the system’s hydraulic head responses. The conductivity field is represented with 706 degrees of freedom in the considered problem. Comparison with the likelihood-based iterative ensemble smoother PEST-IES method demonstrates that the proposed method accurately estimates the parameter posterior distribution and the observations’ predictive posterior distribution at a fraction of the inference time of PEST-IES.

conditional invertible neural network↗

DOE OSTI2025

Nonperturbative quantum gravity in a closed Lorentzian universe

We study how meaningful physical predictions can arise in nonperturbative quantum gravity in a closed Lorentzian universe. In such settings, recent developments suggest that the quantum gravitational Hilbert space is one-dimensional and real for each α-sector, as induced by spacetime wormholes. This appears to obstruct the conventional quantum-mechanical prescription of assigning probabilities via projection onto a basis of states. While previous approaches have introduced external observers or augmented the theory to resolve this issue, we argue that quantum gravity itself contains all the necessary ingredients to make physical predictions. We demonstrate that the emergence of classical observables and probabilistic outcomes can be understood as a consequence of partial observability: physical observers access only a subsystem of the universe. Tracing out the inaccessible degrees of freedom yields reduced density matrices that encode classical information, with uncertainties exponentially suppressed by the environment’s entropy. We develop this perspective using both the Lorentzian path integral and operator formalisms and support it with a simple microscopic model. Our results show that quantum gravity in a closed universe naturally gives rise to meaningful, robust predictions without recourse to external constructs.

AdS-CFT Correspondence↗

DOE OSTI2025

Huge ensembles – Part 1: Design of ensemble weather forecasts using spherical Fourier neural operators

Abstract. Simulating low-likelihood high-impact extreme weather events in a warming world is a significant and challenging task for current ensemble forecasting systems. While these systems presently use up to 100 members, larger ensembles could enrich the sampling of internal variability. They may capture the long tails associated with climate hazards better than traditional ensemble sizes. Due to computational constraints, it is infeasible to generate huge ensembles (comprised of 1000–10 000 members) with traditional, physics-based numerical models. In this two-part paper, we replace traditional numerical simulations with machine learning (ML) to generate hindcasts of huge ensembles. In Part 1, we construct an ensemble weather forecasting system based on spherical Fourier neural operators (SFNOs), and we discuss important design decisions for constructing such an ensemble. The ensemble represents model uncertainty through perturbed-parameter techniques, and it represents initial condition uncertainty through bred vectors, which sample the fastest-growing modes of the forecast. Using the European Centre for Medium-Range Weather Forecasts Integrated Forecasting System (IFS) as a baseline, we develop an evaluation pipeline composed of mean, spectral, and extreme diagnostics. With large-scale, distributed SFNOs with 1.1 billion learned parameters, we achieve calibrated probabilistic forecasts. As the trajectories of the individual members diverge, the ML ensemble mean spectra degrade with lead time, consistent with physical expectations. However, the individual ensemble members' spectra stay constant with lead time. Therefore, these members simulate realistic weather states during the rollout, and the ML ensemble passes a crucial spectral test in the literature. The IFS and ML ensembles have similar extreme forecast indices, and we show that the ML extreme weather forecasts are reliable and discriminating. These diagnostics ensure that the ensemble can reliably simulate the time evolution of the atmosphere, including low-likelihood high-impact extremes. In Part 2, we generate a huge ensemble initialized each day in summer 2023, and we characterize the simulations of extremes.

Mahesh, Ankur↗

DOE OSTI2024

Evaluating Ensemble Predictions of South Asian Monsoon Low Pressure System Genesis

Abstract Synoptic-scale vortices known as monsoon low pressure systems (LPSs) frequently produce intense precipitation and hydrological disasters in South Asia, so accurately forecasting LPS genesis is crucial for improving disaster preparedness and response. However, the accuracy of LPS genesis forecasts by numerical weather prediction models has remained unknown. Here, we evaluate the performance of two global ensemble models—the U.S. Global Ensemble Forecast System (GEFS) and the Ensemble Prediction System of the European Centre for Medium-Range Weather Forecasts (ECMWF)—in predicting LPS genesis during the years 2021–22. The GEFS successfully predicted about half the observed LPS genesis events 1–2 days in advance; the ECMWF model captured an additional 10% of observed genesis events. Both models had a false alarm ratio (FAR) of around 50% for 1–2-day lead times. In both ensembles, the control run typically exhibited a higher probability of detection (POD) of observed events and a lower FAR compared to the perturbed ensemble members. However, a consensus forecast, in which genesis is predicted when at least 20% of ensemble members forecast LPS formation, had POD values surpassing those of the control run for all lead times. Moreover, probabilistic predictions of genesis over the Bay of Bengal, where most LPSs form, were skillful, with the fraction of ensemble members predicting LPS formation over a 5-day lead time approximating the observed frequency of genesis, without any adjustment or bias correction.

Suhas, D. L.↗

DOE OSTI2024

A Prefire Approach for Probabilistic Assessments of Postfire Debris‐Flow Inundation

Increases in wildfire activity and rainfall intensification are driving more postfire debris flows (PFDF) in many regions around the world. PFDFs are most common in the first postfire year and may even occur before a fire is fully controlled. This underscores the importance of assessing postfire hazards before a fire starts. Evaluation of PFDF hazards prior to fire can help strategize interventions lessening the negative effects of future fires. However, debris-flow runout and inundation analyses are not routine in PFDF hazard assessments, partially due to time constraints and substantial uncertainties in boundary conditions. Here, we propose a prefire PFDF inundation assessment framework using a debris-flow runout model based on the Herschel-Bulkley (HB) rheology (HEC-RAS v6.1). We constrain model inputs and parameters using Bayesian posterior analysis, rainfall-runoff simulations, and a debris-flow volume model. We use observations from recent PFDF incidents in northern Arizona, USA, to calibrate model components and then apply our prefire inundation assessment framework in a nearby unburned area. Specifically, we (a) identify yield stress as the most influential factor on inundation extent and arrival time in a HB model, (b) establish posterior distributions for model parameters suitable for forward modeling by leveraging uncertainties in field observations, and (c) implement a predictive forward analysis in an area that has not burned recently to evaluate PFDF inundation under several future fire scenarios. This study improves our ability to assess postfire debris-flow hazards before a fire begins and provides guidance for future applications of single-phase rheological models when assessing PFDF hazards.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A Prefire Approach for Probabilistic Assessments of Postfire Debris-Flow Inundation

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Experimental investigation of probabilistic failure of SiC/SiC composite tubes under multiaxial loading

This paper presents an experimental investigation of the failure behavior of SiC fiber-reinforced SiC matrix (SiC/SiC) composite tubes under multiaxial loading. A new testing apparatus is designed to independently apply axial stress and internal pressure to SiC/SiC tubes. Acoustic emission (AE) is used to monitor the damage growth in the specimen. Based on the measured stress–strain response, a strain-based criterion is proposed to determine the proportional limit stress (PLS). The proposed strain-based criterion is compared with the PLS determined by the AE measurement. The PLS is determined for different loading ratios to form a multiaxial failure surface. By testing multiple replicates, the statistical variations of the PLS are determined. In conclusion, based on the experimental results, a mathematical model is developed to characterize the probability distribution of the PLS of SiC/SiC composites under multiaxial loading.

36 MATERIALS SCIENCE↗

DOE OSTI2024

ASME Design Code Rule Changes for Nuclear Graphite

The American Society of Mechanical Engineers Boiler Pressure and Vessel Code (ASME BPVC) Section III, Division 5, Article HHA-3000 outlines graphite core component and graphite core assembly design guidelines. Graphite core components are defined as ?components manufactured from graphite that are installed to form a graphite core assembly within the reactor pressure vessel of a high temperature, graphite moderated fission reactor.? (p. 413) Graphites? inherent defect distributions do not allow for deterministic material reliability. Rather, graphite has variable strength distributions which change by grade. Article HHA-3000 outlines two semi-probabilistic methods, the full and simplified assessments, which set design load limit targets for each of three component structural reliability classes. The Design Task Group was officially recognized as a specialized task group within ASME November of 2023, though we?ve been collaborating since 2022. The purpose of the Design Task Group is to correct, clarify, and make HHA-3000 function as intended. The Design Task Group will sunset once we?ve achieved our objectives. The Design Task Group was specifically told to not write new Code. While there may be more precise and more accurate methods to determine reliability targets, the current methods are conservative, relatively simple to implement, and have thus far been considered satisfactory for setting design reliability targets. Much of the ground-work to write proposal files and background documents for records to make the changes needed to achieve our objective have been completed. The Design Task Group has documented much of their work through papers, presentations, and memorandums. Three memorandums in which INL team members had substantial contributions are found in the Appendices: FEA Modeling for the Baseline Program, Evaluating the Effects on Margin of Updating the Threshold and Shape Parameters in the Full Assessment, and Interpretations of the Full and Simplified Assessments in ASME BPVC. Most of the on-going work to achieve the Design Task Group?s objective will be addressing comments on existing records and moving records through the balloting process. The Design Task Group met bi-weekly mostly through the end of FY2023. Since February 2024, the Design Task Group has mostly been completed with solving and documenting the technical issues associated with the assessments. Unless new tasks are identified, the remaining work of the Design Task Group will be political and editorial.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Advanced Closures for Nonlinear Fluid Simulations of Plasmas (Final Report)

Advanced Closures for Nonlinear Fluid Simulations of Plasmas E. Held, Utah State University (Principal Investigator) J.-Y. Ji, Utah State University (Co-Investigator) Utah State University (USU) continued to develop and apply closures for hybrid fluid/kinetic simulations of magnetized fusion plasmas. The closures developed by USU's fusion theory and computation group use the drift ordering and are referred to as "continuum" and "general moment" approaches. They differ in their representation for the distribution functions which probabilistically describe the density of particles in 5 dimensional phase space. The two chosen velocity variables, needed in studies of kinetic physics for magnetized plasmas, are the speed and the component of a particle's velocity along the magnetic field. In magnetized plasmas, the charged particle trajectories are tied closely to the magnetic field lines. Both approaches account for binary interactions between particles using the Coulomb collision operator. Theoretical and computational development along both lines provided avenues for verification between the two approaches. This funding allowed USU to further develop physically accurate and numerically efficient models that advance our understanding of kinetic physics in experiments like the International Thermonuclear Experimental Reactor (ITER). The ITER device will likely prove the physical practicality of thermonuclear fusion by producing 500 megawatts of clean, abundant fusion power. This work helped to realize this goal by advancing our simulation capability using hybrid fluid/kinetic models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Distributionally Robust Decentralized Volt-Var Control With Network Reconfiguration

Here, this paper presents a decentralized volt-var optimization (VVO) and network reconfiguration strategy to address the challenges arising from the growing integration of distributed energy resources, particularly photovoltaic (PV) generation units, in active distribution networks. To reconcile control measures with different time resolutions and empower local control centers to handle intermittency locally, the proposed approach leverages a two-stage distributionally robust optimization; decisions on slow-responding control measures and set points that link neighboring subnetworks are made in advance while considering all plausible distributions of uncertain PV outputs. We present a decomposition algorithm with an acceleration scheme for solving the proposed model. Numerical experiments on the IEEE 123 bus distribution system are given to demonstrate its outstanding out-of-sample performance and computational efficiency, which suggests that the proposed method can effectively localize uncertainty via risk-informed proactive timely decisions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Central Asia Seismic Hazard Assessment (CASHA): A Probabilistic Seismic Hazard Assessment for Kazakhstan, Kyrgyzstan and Tajikistan

Probabilistic seismic hazard assessments (PSHA) underpin the calculation of earthquake loads in most building codes around the world. In Central Asia, the building codes are slowly being updated to incorporate some of the contemporary concepts of seismic hazard representation. There is also a regional desire to coordinate hazard assessments and building code modernization. However, some challenges remain. Expertise in the region related to seismic hazard assessments is still largely compartmentalised, requiring a significant amount of training and capacity building in seismic hazard assessment related topics. In addition, there are vast amounts of seismic data (bulletin and waveforms), both from analogue and digital eras, that the region’s countries stored but until recently did not use or share among themselves or with the broader seismological community around the world. Finally, after the collapse of the Soviet Union in the 1990s, many of the countries’ seismic networks suffered a major setback with the lack of attention and budget to update existing equipment and installation of new instruments. In order to address these issues, the United States Department of Energy through Lawrence Livermore National Laboratory (LLNL) initiated a project in 2016 to engage and train local scientists in Central Asia to install new equipment, to enhance the quality of seismic monitoring and reporting, to improve and harmonise the regional earthquake catalogue, and to conduct national probabilistic seismic hazard assessments using the new and improved datasets. To achieve the seismic hazard assessment related goals, a series of workshops were held in Almaty, Kazakhstan; Bishkek, Kyrgyzstan; and Dushanbe, Tajikistan from 2016 until 2020. During the time that the COVID-19 pandemic restricted travel, workshops continued online (22 online workshops were hosted in two years). Finally, in May 2022, an in-person workshop in Istanbul, Turkey brought together all project participants along with civil engineers engaged with building code activities in their respective countries, providing a platform to discuss the implementation of the hazard models into updates of building codes in each country, as well as to discuss model parameters, sensitivity analyses and model results in terms of hazard maps, uniform hazard spectra and hazard deaggregations. The workshops were a combination of lectures and hands-on exercises, and included international participation as well as local scientists and engineers. The workshops served several purposes, including training, coordination of data collection, interactions between local earth scientists and engineers, and brainstorming and knowledge exchange among local and international experts. This report outlines the new earthquake catalogue compilation effort and the PSHA project undertaken in Kyrgyzstan, Tajikistan, and Kazakhstan as part of this initiative. The southern part of this region is tectonically active with moderate to high levels of both shallow crustal seismic activity and occurrence of deeper earthquakes under the Hindu Kush and Pamir mountain ranges. Deeper earthquakes also occur near southwestern Kazakhstan, under the eastern Greater Caucasus and Caspian Sea. Large portions of central and northern Kazakhstan, on the other hand, are in stable continental regions with low levels of seismic activity. This study systematically compiles and improves all available data on local seismicity, active faults, and ground motion attenuation characteristics of the region; and builds a framework to enable a contemporary PSHA to be carried out with the engagement of local scientists. While the project was regional, the seismic hazard assessments are primarily driven by the countries’ own national preferences and understanding of data collection, interpretation, and validation of results.

58 GEOSCIENCES↗

DOE OSTI2026

Re-evaluating probable maximum precipitation estimates: sensitivity to transposition domains and storm rotation using modern datasets

This study examines the sensitivity of Probable Maximum Precipitation (PMP) estimates to key methodological decisions embedded in the legacy approach adopted in the U.S. National Weather Service Hydrometeorological Reports No. 51 and No. 52. Although widely used for infrastructure design and risk regulation, fundamental aspects of PMP estimation—such as storm sample size, transposition domain, maximization procedures, and storm rotation—remain poorly constrained and lack formal guidance. Using the Red Rock watershed in Iowa as a case study, and leveraging the 2002–2023 NOAA Analysis of Record for Calibration (AORC) precipitation dataset, we systematically evaluate how each methodological choice, individually and in combination, influences PMP estimates. Our findings demonstrate that PMP is not a fixed physical upper bound but rather a modeling construct shaped heavily by user-defined assumptions. Notably, PMP values derived from modern gridded rainfall datasets can be substantially higher than the legacy estimate used in the original spillway design for Red Rock Dam. Decisions regarding storm sample size, domain extent, climatological window, and particularly storm rotation all contributed to higher PMP estimates. Storm rotation alone—a loosely constrained element in the current PMP practice—can amplify PMP by more than 25%. These results reveal the lack of standardized bounds in current PMP workflows and the need for systematic sensitivity and uncertainty analysis. As PMP estimation shifts toward probabilistic approaches, incorporating physically meaningful storm attributes will be key to developing more transparent, defensible methods for dam safety and climate-resilient infrastructure.

Probable maximum precipitation↗

DOE OSTI2024

Determining reference standard strength for neutron-irradiated reduced activation ferritic/martensitic steel F82H by Bayesian method

The deterministic approach widely adopted in the design of structural components relies on systematically defined design limits using empirically determined safety factors. However, this approach is not always appropriate because structures are subjected to a variety of loads in the practical environment, which may result in excessively conservative design limits. In recent years, a more rigorous probabilistic approach that incorporates material strength distributions has become an important solution. In the probabilistic approach, the probability density functions of material strength properties underpin the design criteria. Here, the objective of this study is to identify the density distribution functions that best describe tensile properties of irradiated F82H to define a reference strength for DEMO design. Due to the limited number of existing data, this study specifically employs a Bayesian prediction method based on Monte Carlo simulations to determine a material reference value with statistical reliability and to investigate its effectiveness. For example, the dependence of tensile properties of 300 °C irradiated materials on irradiation damage and the range predicted by 95% Bayesian estimation was evaluated. As a statistical model for the dose dependence of statistical parameters, the normal distribution exhibited a better fit for 0.2% proof strength and tensile strength, whereas the distribution of total elongation data gave comparable reference values for both the normal and Weibull distribution models. Both models gave comparable criteria for the distribution of total elongation data. The Weibull model also gave better results for uniform elongation. The function best describing the model was a logarithmic law for both 0.2% proof strength and tensile strength, while a power law for both total and uniform elongation, which allowed for more comprehensive data prediction of irradiation data with statistical accuracy for DEMO reactor design.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Generative AI for Power Grid Operations

Generative artificial intelligence (AI) has captured into the mainstream, demonstrating capabilities that once belonged solely to the realm of human cognition. From defeating world champions in complex games to generating human-quality text and images, Generative AI has proven its potential to revolutionize countless industries. The electric power grid is no exception. Generative AI's ability to process vast amounts of data rapidly, assist decision support and identify patterns could significantly enhance power grid operations. For example, Generative AI could improve state estimation where measurements are not available or integrate renewable energy sources more efficiently with probabilistic forecasting. The key contributions of this whitepaper are outlined below: (1) Comprehensive overview of Generative AI's applications in power grid operations: It highlights the opportunities in areas such as forecasting, state estimation, and demonstrating the potential for enhancing efficiency, reliability, and resilience. (2) Expanding Generative AI's impact through synergies with emerging technologies: The paper introduce NREL developed eGridGPT and explores how AI orchestration, multi-agent systems, and Digital Twins can collaborate to optimize grid operations, addressing the complexities of a decarbonized and electrified future. (3) In-depth analysis of challenges in implementing Generative AI: This includes considerations like data availability and quality, model validation, certification, and ethical concerns, ensuring responsible AI deployment. (4) Emphasizing human-AI collaboration: The whitepaper underscores the importance of trustworthy, transparency, and explainability in AI systems to promote seamless interaction between human operators and AI, ultimately improving decision-making. (5) Exploring future research and development: It identifies critical areas for further advancement to fully realize Generative AI's potential in power grid operations. This whitepaper serves as a valuable resource for researchers, practitioners, and policymakers looking to harness Generative AI for a more reliable, stable, and cost-effective power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Quantum algorithm to simulate Lindblad master equations

We present a quantum algorithm for simulating a family of Markovian master equations that can be realized through a probabilistic application of unitary channels and state preparation. Our approach employs a second-order product formula for the Lindblad master equation, achieved by decomposing the dynamics into dissipative and Hamiltonian components and replacing the dissipative segments with randomly compiled, easily implementable elements. The sampling approach eliminates the need for ancillary qubits to simulate the dissipation process and reduces the gate complexity in terms of the number of jump operators. We provide a rigorous performance analysis of the algorithm. We also extend the algorithm to time-dependent Lindblad equations, generalize the family of Markovian master equations it can be applied to, and explore applications beyond the Markovian noise model. A new error bound, in terms of the diamond norm, for second-order product formulas for time-dependent Liouvillians is provided that might be of independent interest. Published by the American Physical Society 2025

Borras, Evan (ORCID:000900017709037X)↗

DOE OSTI2024

Chaotic neural dynamics facilitate probabilistic computations through sampling

Cortical neurons exhibit highly variable responses over trials and time. Theoretical works posit that this variability arises potentially from chaotic network dynamics of recurrently connected neurons. Here, we demonstrate that chaotic neural dynamics, formed through synaptic learning, allow networks to perform sensory cue integration in a sampling-based implementation. We show that the emergent chaotic dynamics provide neural substrates for generating samples not only of a static variable but also of a dynamical trajectory, where generic recurrent networks acquire these abilities with a biologically plausible learning rule through trial and error. Furthermore, the networks generalize their experience in the stimulus-evoked samples to the inference without partial or all sensory information, which suggests a computational role of spontaneous activity as a representation of the priors as well as a tractable biological computation for marginal distributions. These findings suggest that chaotic neural dynamics may serve for the brain function as a Bayesian generative model.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

36 MATERIALS SCIENCE↗