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DOE OSTI2026

A Framework for Parametric and Predictive Uncertainty Quantification in the E3SM Land Model: Assessing Site and Observable Generalizability

Quantifying parametric uncertainty using observations from individual sites provides a critical foundation for Earth system modeling, serving as a necessary first step before scaling up to regional or global applications. This study introduces a novel computational framework designed to enhance model predictability by reducing parametric uncertainty and assessing site and observable generalizability using various observational constraints. The framework integrates five components: Model Simulation, Statistical Emulation, Global Sensitivity Analysis (GSA), Model Calibration, and Model Prediction. Using the E3SM land model, we simulated site-level land-atmosphere carbon and energy fluxes from 2003 to 2007 across five evergreen needleleaf FLUXNET sites, perturbing 26 vegetation-related model parameters. Gaussian process emulators were employed to expedite GSA and model calibration. Four critical parameters that strongly influence selected land-atmosphere fluxes were identified by GSA. Bayesian approaches were used to infer parameter probability distributions leveraging synthetic data and FLUXNET observations. The results reveal that posterior parameter distributions vary significantly across different sites and observables within the same plant functional type. Probabilistic predictions indicate that parameters calibrated at one site can enhance predictive accuracy at other sites, although site heterogeneity may sometimes outweigh parametric uncertainty. Additionally, the probabilistic predictions demonstrate that calibration for one variable can also improve predictability for other variables, thereby maximizing predictive capabilities with limited observations. This framework provides a powerful approach for reducing parametric uncertainty in Earth system models and deepening our understanding of carbon dynamics and energy cycles. Its adaptability makes it a valuable tool for broader applications in Earth system modeling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Trigonometric continuous-variable gates and hybrid quantum simulations of the sine-Gordon model

Hybrid qubit-qumode quantum computing platforms provide a natural setting for simulating interacting bosonic quantum field theories. However, existing continuous-variable gate constructions rely predominantly on polynomial functions of canonical quadratures. In this work, we introduce a complementary universality paradigm based on trigonometric continuous-variable gates, which enable a Fourier-like representation of bosonic operators and are particularly well suited for periodic and non-perturbative interactions. We present an ancilla-based framework for implementing trigonometric gates with arguments given by arbitrary Hermitian functions of qumode quadratures. The protocol yields unitary gates deterministically, and non-unitary gates through probabilistic post-selection. As a concrete application, we develop a hybrid qubit-qumode quantum simulation of the lattice sine-Gordon model. Using these gates, we prepare ground states via quantum imaginary-time evolution, simulate real-time dynamics, compute time-dependent vertex two-point correlation functions, and extract quantum kink profiles under topological boundary conditions. Our results demonstrate that trigonometric continuous-variable gates provide a physically natural framework for simulating interacting field theories on near-term hybrid quantum hardware, while establishing a parallel route to universality beyond polynomial gate constructions. We expect that the trigonometric gates introduced here to find broader applications, including quantum simulations of condensed matter systems, quantum chemistry, and biological models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1994

Software for Data Analysis with Graphical Models

Probabilistic graphical models are being used widely in artificial intelligence and statistics, for instance, in diagnosis and expert systems, as a framework for representing and reasoning with probabilities and independencies. They come with corresponding algorithms for performing statistical inference. This offers a unifying framework for prototyping and/or generating data analysis algorithms from graphical specifications. This paper illustrates the framework with an example and then presents some basic techniques for the task: problem decomposition and the calculation of exact Bayes factors. Other tools already developed, such as automatic differentiation, Gibbs sampling, and use of the EM algorithm, make this a broad basis for the generation of data analysis software.

Buntine, Wray L.↗

DOE OSTI2026

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗

NASA NTRS2001

Portfolios in Stochastic Local Search: Efficiently Computing Most Probable Explanations in Bayesian Networks

Portfolio methods support the combination of different algorithms and heuristics, including stochastic local search (SLS) heuristics, and have been identified as a promising approach to solve computationally hard problems. While successful in experiments, theoretical foundations and analytical results for portfolio-based SLS heuristics are less developed. This article aims to improve the understanding of the role of portfolios of heuristics in SLS. We emphasize the problem of computing most probable explanations (MPEs) in Bayesian networks (BNs). Algorithmically, we discuss a portfolio-based SLS algorithm for MPE computation, Stochastic Greedy Search (SGS). SGS supports the integration of different initialization operators (or initialization heuristics) and different search operators (greedy and noisy heuristics), thereby enabling new analytical and experimental results. Analytically, we introduce a novel Markov chain model tailored to portfolio-based SLS algorithms including SGS, thereby enabling us to analytically form expected hitting time results that explain empirical run time results. For a specific BN, we show the benefit of using a homogenous initialization portfolio. To further illustrate the portfolio approach, we consider novel additive search heuristics for handling determinism in the form of zero entries in conditional probability tables in BNs. Our additive approach adds rather than multiplies probabilities when computing the utility of an explanation. We motivate the additive measure by studying the dramatic impact of zero entries in conditional probability tables on the number of zero-probability explanations, which again complicates the search process. We consider the relationship between MAXSAT and MPE, and show that additive utility (or gain) is a generalization, to the probabilistic setting, of MAXSAT utility (or gain) used in the celebrated GSAT and WalkSAT algorithms and their descendants. Utilizing our Markov chain framework, we show that expected hitting time is a rational function - i.e. a ratio of two polynomials - of the probability of applying an additive search operator. Experimentally, we report on synthetically generated BNs as well as BNs from applications, and compare SGSs performance to that of Hugin, which performs BN inference by compilation to and propagation in clique trees. On synthetic networks, SGS speeds up computation by approximately two orders of magnitude compared to Hugin. In application networks, our approach is highly competitive in Bayesian networks with a high degree of determinism. In addition to showing that stochastic local search can be competitive with clique tree clustering, our empirical results provide an improved understanding of the circumstances under which portfolio-based SLS outperforms clique tree clustering and vice versa.

Mengshoel, Ole J.↗

NASA NTRSDate not supplied

Dynamic Assurance of Autonomous Systems through Ground Control Software

Assurance cases are being increasingly acknowledged as a way to build trust in complex systems with autonomous capabilities [1]. An assurance case is a comprehensive, defensible, and valid justification that a system will function as intended for the specific mission and operating environment. Such justifications for systems with autonomous capabilities are often based on various probabilistic quantifications [2]. Due to the dynamic nature of the environmental conditions in which these systems operate, as well as the changing nature of the autonomous systems themselves, these probabilistic quantifications cannot be simply estimated once during design time. Rather, they need to be continually evaluated during systems operations to ensure that the assurance case justifications are valid. We refer to the assurance case that combines both the static and dynamic elements as a Dynamic Assurance Case (DAC). Such complex systems with autonomous capabilities are often deployed with a Ground Control Software (GCS) component to enable remote operation. Whether the system is composed of a single unit or a fleet of units, deployed distributed or in remote environments, GCS acts as a window into the behavior of the deployed system. It receives telemetry from the system, issues commands to the system and provides various functionalities to visualize the system performance. We propose a dynamic assurance framework where the GCS acts as a relay between the autonomous system and its DAC. GCS can be used to measure both unit-specific as well as system-wide probabilistic quantifications using the incoming telemetry. We embed these quantifications throughout the DAC as variables that can be updated by external sources. We use the GCS to periodically update these variables, which allows us to continually evaluate the formally defined assurance case justifications. We demonstrate our dynamic assurance framework in the NASA Ames project Troupe1 that aims at developing a fleet of rovers capable of au- tonomously mapping their environment. The rovers work cooperatively, each collecting data for different parts of the environment. Each rover runs an identical core Flight System (cFS) [4] application. Troupe1 uses OpenC3 Cosmos [5] as the ground system, and AdvoCATE [3] to capture the system DAC. We show how we can measure both rover-specific and system-wide quantifications in Cosmos using its Ruby scripting editor and pass them into the DAC modelled in AdvoCATE. Then, we show how these incoming variables can be embedded in different parts of the DAC and how effects of their updates can be observed

Irfan Sljivo↗

DOE OSTI2024

Markov Decision Processes for Intelligent, Risk-Informed Asset-Management Decision-Making

Advanced nuclear reactors are a promising option for aiding the world in achieving its net-zero carbon emission goals, however, there are significant challenges to attaining and maintaining economic competitiveness with other sources of electricity. To improve the economic competitiveness of advanced reactor designs, a project was initiated to explore the use of Markov Decision Processes (MDPs) to guide asset-management decision-making during advanced reactor operation. MDPs are a powerful tool for optimizing decision-making in complex environments and their application to advanced reactors can aid in planning maintenance and repair activities to minimize downtime and maximize generation. The described approach expands on previous work regarding the use of MDPs for operational decision-making through the direct incorporation of real-time plant information. The integral MDP analysis includes information from online component diagnostic tools and the plant’s real-time generation risk assessment (GRA) and probabilistic risk assessment (PRA), which evaluate plant risk from both an economic and safety perspective. The result is an asset-management optimization framework that is based on real-time data regarding plant component status and the current best-estimate of plant risk. The paper presents an overview of the theoretical framework to incorporate the different information pathways into an integral MDP analysis, along with example analyses.

Grabaskas, David↗

NASA NTRS1989

Evanescent radiation, quantum mechanics and the Casimir effect

An attempt to bridge the gap between classical and quantum mechanics and to explain the Casimir effect is presented. The general nature of chaotic motion is discussed from two points of view: the first uses catastrophe theory and strange attractors to describe the deterministic view of this motion; the underlying framework for chaos in these classical dynamic systems is their extreme sensitivity to initial conditions. The second interpretation refers to randomness associated with probabilistic dynamics, as for Brownian motion. The present approach to understanding evanescent radiation and its relation to the Casimir effect corresponds to the first interpretation, whereas stochastic electrodynamics corresponds to the second viewpoint. The nonlinear behavior of the electromagnetic field is also studied. This well-understood behavior is utilized to examine the motions of two orbiting charges and shows a closeness between the classical behavior and the quantum uncertainty principle. The evanescent radiation is used to help explain the Casimir effect.

Schatten, Kenneth H.↗

NASA NTRS1994

Representing Learning With Graphical Models

Probabilistic graphical models are being used widely in artificial intelligence, for instance, in diagnosis and expert systems, as a unified qualitative and quantitative framework for representing and reasoning with probabilities and independencies. Their development and use spans several fields including artificial intelligence, decision theory and statistics, and provides an important bridge between these communities. This paper shows by way of example that these models can be extended to machine learning, neural networks and knowledge discovery by representing the notion of a sample on the graphical model. Not only does this allow a flexible variety of learning problems to be represented, it also provides the means for representing the goal of learning and opens the way for the automatic development of learning algorithms from specifications.

Buntine, Wray L.↗

NASA NTRS2004

Methodolgy For Evaluation Of Technology Impacts In Space Electric Power Systems

The Analysis and Management branch of the Power and Propulsion Office at NASA Glenn Research Center is responsible for performing complex analyses of the space power and In-Space propulsion products developed by GRC. This work quantifies the benefits of the advanced technologies to support on-going advocacy efforts. The Power and Propulsion Office is committed to understanding how the advancement in space technologies could benefit future NASA missions. They support many diverse projects and missions throughout NASA as well as industry and academia. The area of work that we are concentrating on is space technology investment strategies. Our goal is to develop a Monte-Carlo based tool to investigate technology impacts in space electric power systems. The framework is being developed at this stage, which will be used to set up a computer simulation of a space electric power system (EPS). The outcome is expected to be a probabilistic assessment of critical technologies and potential development issues. We are developing methods for integrating existing spreadsheet-based tools into the simulation tool. Also, work is being done on defining interface protocols to enable rapid integration of future tools. Monte Carlo-based simulation programs for statistical modeling of the EPS Model. I decided to learn and evaluate Palisade's @Risk and Risk Optimizer software, and utilize it's capabilities for the Electric Power System (EPS) model. I also looked at similar software packages (JMP, SPSS, Crystal Ball, VenSim, Analytica) available from other suppliers and evaluated them. The second task was to develop the framework for the tool, in which we had to define technology characteristics using weighing factors and probability distributions. Also we had to define the simulation space and add hard and soft constraints to the model. The third task is to incorporate (preliminary) cost factors into the model. A final task is developing a cross-platform solution of this framework.

Holda, Julie↗

NASA NTRS2018

Towards a Rigorous Basis for Specific Operations Risk Assessment of UAS

The Specific Operations Risk Assessment (SORA) guidance represents the consensus of various national aviation authorities on a common process to identify, qualitatively assess, and manage the safety risk posed by unmanned aircraft systems (UAS), when preparing the safety case required for regulatory approval to conduct certain types of operations. As such, it can be considered a de facto standard, being increasingly adopted by various relevant stakeholders. This paper first gives an overview of the SORA process and associated methods, identifying a number of inconsistencies in risk identification and assessment, also discussing plausible strategies to close the associated gaps. Then, we give a well-founded basis for the applicable concepts, such as barrier integrity, assurance, and robustness, following which we present a preliminary and simple probabilistic formalization of the underpinning barrier-based safety model. We illustrate our overall approach through a worked example, also discussing how a Bayesian framework can facilitate extending and enhancing our initial formalization. We conclude with a discussion of the opportunities afforded by our approach, such as a well-founded basis for barrier selection, whilst addressing the associated challenges. The main objective of this work is to complement the current SORA guidance through a principled, mathematicallybased approach to risk assessment, particularly when it is applied to higher-risk operational concepts that warrant greater rigor in safety assessment and assurance.

Safety Cases↗

NASA NTRS2002

System Level Uncertainty Assessment for Collaborative RLV Design

A collaborative design process utilizing Probabilistic Data Assessment (PDA) is showcased. Given the limitation of financial resources by both the government and industry, strategic decision makers need more than just traditional point designs, they need to be aware of the likelihood of these future designs to meet their objectives. This uncertainty, an ever-present character in the design process, can be embraced through a probabilistic design environment. A conceptual design process is presented that encapsulates the major engineering disciplines for a Third Generation Reusable Launch Vehicle (RLV). Toolsets consist of aerospace industry standard tools in disciplines such as trajectory, propulsion, mass properties, cost, operations, safety, and economics. Variations of the design process are presented that use different fidelities of tools. The disciplinary engineering models are used in a collaborative engineering framework utilizing Phoenix Integration's ModelCenter and AnalysisServer environment. These tools allow the designer to join disparate models and simulations together in a unified environment wherein each discipline can interact with any other discipline. The design process also uses probabilistic methods to generate the system level output metrics of interest for a RLV conceptual design. The specific system being examined is the Advanced Concept Rocket Engine 92 (ACRE-92) RLV. Previous experience and knowledge (in terms of input uncertainty distributions from experts and modeling and simulation codes) can be coupled with Monte Carlo processes to best predict the chances of program success.

Charania, A. C.↗

NASA NTRSDate not supplied

Bond Line Thickness Estimation in Composite Structures Using Multiple Inspection Techniques

Imaging and other nondestructive evaluation techniques are commonly used for material characterization and defect recognition in safety critical aerospace applications, with data fusion providing the framework for uncertainty quantification in these contexts. Most commonly, forward physics-based modeling predicts the response conditioned on material properties and defect assumptions, and probabilistic methods are used to infer the hidden state of the subject of the inspection from a combination of prior information, likelihoods, and inspection data. In this paper Bayesian methods are used to estimate bond thickness in lap joints comprised of aluminum adherends using a combination of infrared thermography and ultrasound. The concept of the conflation of probability distributions is applied to combine the posterior distributions derived from thermography and ultrasound and the quality of the fused estimates are compared against the individual estimates against synthetic data that was created to mimic the inspection of a lap joint comprised of aluminum adherends.

thermal nondestructive evaluation↗

NASA NTRSDate not supplied

Bond Line Thickness Estimation in Composite Structures Using Multiple Inspection Techniques

Imaging and other nondestructive evaluation techniques are commonly used for material characterization and defect recognition in safety critical aerospace applications, with data fusion providing the framework for uncertainty quantification in these contexts. Most commonly, forward physics-based modeling predicts the response conditioned on material properties and defect assumptions, and probabilistic methods are used to infer the hidden state of subject of the inspection from a combination of prior information, likelihoods, and inspection data. In this paper Bayesian methods are used to estimate bond thickness in lap joints comprised of aluminum adherends using a combination of infrared thermography, digital radiography, and ultrasound. The accuracy of the fused estimates are validated against data generated from synthetic specimens, and by comparison against high resolution X-ray computed tomography inspections of built specimens.

thermal nondestructive evaluation↗

DOE OSTI2025

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

Tropical Cyclone Super Resolution using conditional diffusion denoising probabilistic model from mesoscale simulation to LES

Accurate modeling of tropical cyclone wind fields is essential for the design, risk assessment, and operational planning of offshore energy infrastructure. While mesoscale simulations are widely used thanks to their computational efficiency, they lack the necessary resolution to capture key features such as wind shear and veer profiles as well as the distribution turbulent kinetic energy (TKE). High-fidelity large-eddy simulation (LES) models on the other hand, can resolve turbulent structures and provide a more accurate representation of the complex wind field, albeit at a higher computational cost. To address this modeling gap, we introduce a two-part generative framework to enhance the resolution and physics-capturing ability of mesoscale simulations. First, a reduced-order model based on Karhunen–Loève (KL) decomposition is used to extract dominant spatial modes from one-dimensional mean wind profiles. A multilayer perceptron (MLP) is trained to map mesoscale mode weights to their LES counterparts, enabling accurate reconstruction of vertical velocity profiles. Second, a conditional Diffusion Denoising Probabilistic Model (DDPM) is developed to super-resolve coarse and low-fidelity mesoscale velocity fields, recovering fine-scale turbulence structures and stress distributions. The framework is evaluated across different tropical cyclone intensity categories defined by the Saffir–Simpson scale and demonstrates strong performance in both interpolation and extrapolation tasks. The generated fields accurately reproduce spatial coherence, stress distributions, and spectral energy characteristics observed in LES data. By bridging the fidelity gap between mesoscale and LES outputs, this approach offers a scalable, data-driven solution for enhancing the representation of tropical cyclone wind fields, enabling more robust offshore energy infrastructure systems design in tropical-cyclone-prone areas.

17 WIND ENERGY↗

DOE OSTI2024

Hector-FACTS Technical Report & User Guide: Integrating Hector into the Framework for Assessing Changes To Sea-level

The Framework for Assessing Changes To Sea-level (FACTS) platform was developed by (Kopp et al., 2023) as an open-source modular tool capable of generating probabilistic projections for global mean sea-level change and future relative and extreme sea-level change at New York City (Kopp et al., 2023). FACTS is the first open-source modular tool designed to explore deep uncertainty in SLR while also synthesizing across different modeling groups and integrating the various components of SLR used in key climate reports.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1984

Statistics and thermodynamics of fracture

A probabilistic model of the fracture processes unifying the phenomenological study of long term strength of materials, fracture mechanics and statistical approaches to fracture is briefly outlined. The general framework of irreversible thermodynamics is employed to model the deterministic side of the failure phenomenon. The stochastic calculus is used to account for thg failure mechanisms controlled by chance; particularly, the random roughness of fracture surfaces.

Chudnovsky, A.↗