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NASA NTRS2020

Behavior modeling for cybersecurity

In this paper, we elaborate on the key actors within the context of the cyber world at the Jet Propulsion Laboratory and use Bayesian Belief Networks to represent the causal and probabilistic relationships between the various elements that affect an actor and the likelihood of exploits and adverse consequences that can occur due to an exploit. We assess the effectiveness of each of the mitigative methods and the sensitivity of the system to each of the aggravating as well as mitigative factors. We use a combination of objective incident data and Subject Matter Expert knowledge as input to these models.

King, James↗

NASA NTRS2021

Probabilistic Machine Learning Estimation of Ocean Mixed Layer Depth from Dense Satellite and Sparse In-Situ Observations

The ocean mixed layer plays an important role in the coupling between the upper ocean and atmosphere across a wide range of time scales. Estimation of the variability of the ocean mixed layer is therefore important for atmosphere-ocean prediction and analysis. The increasing coverage of in situ Argo profile data allows for an increasingly accurate analysis of the mixed layer depth (MLD) variability associated with deviations from the seasonal climatology. However, sampling rates are not sufficient to fully resolve subseasonal (<90 day) MLD variability. Yet, many multivariate observations-based analyses include implicit modeled subseasonal MLD variability. One analysis method is optimal interpolation of in situ data, but the interior analysis can be improved by leveraging surface data with regression or variational approaches. Here, we demonstrate how machine learning methods and satellite sea surface temperature, salinity, and height facilitate MLD estimation in a pilot study of two regions: the mid-latitude southern Indian and the eastern equatorial Pacific Oceans. We construct multiple machine learning architectures to produce weekly 1/2° gridded MLD anomaly fields (relative to a monthly climatology) with uncertainty estimates. We test multiple traditional and probabilistic machine learning techniques to compare both accuracy and probabilistic calibration. We validate our methodology by applying it to ocean model simulations. We find that incorporating sea surface data through a machine learning model improves the performance of spatiotemporal MLD variability estimation compared to optimal interpolation of Argo observations alone. These preliminary results are a promising first step for the application of machine learning to MLD prediction.

Machine Learning↗

DOE OSTI2022

Sequential Decision Making (SDM) for Mesh Refinement and Model Selection in Multiscale, Multi-Physics Applications

Intelligent automation and decision support are needed to enhance computational efficiency and robustness in multiscale and multi-physics problems, including materials science, manufacturing, and climate and weather modeling. Current scientific computing approaches for enabling decisions by scientists fail to explore the role of learning, reasoning, and probabilistic planning. Often these decisions are not performed in real-time during the computation but are made prior to the start of the computation, which must be interrupted in order to make changes to the prior choices. Such interruptions at different stages of the computation increase the total computing time and the need for a human expert to frequently monitor the results. State of art scientific computing methods consist of rule-based algorithms that cannot automatically adapt to a dynamically changing computing environment. The development of a Sequential Decision Making (SDM) framework will automate scientific computing by optimizing the policies for mesh refinement, time-stepping, model and algorithm selection, resource allocation, and pre and post-processing. Our agent SDM framework for scientific computing will consist of data-driven learning (Classifier), automated reasoning (contextual knowledge), and probabilistic planning (Reinforcement Learning). In this project, we focused on three problems to demonstrate our SDM framework on a set of ordinary and partial differential equations. Classification of Lorenz system regions using Feed-Forward Neural Networks examined learning in the SDM framework. On the other hand, reasoning and planning in the SDM framework were used in two problems: adaptive time-stepping for nonlinear ODEs using on-policy RL algorithms, and adaptive mesh refinement for 2-D PDEs using off-policy RL algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Synthesizing realistic sand assemblies with denoising diffusion in latent space

Abstract The shapes and morphological features of grains in sand assemblies have far‐reaching implications in many engineering applications, such as geotechnical engineering, computer animations, petroleum engineering, and concentrated solar power. Yet, our understanding of the influence of grain geometries on macroscopic response is often only qualitative, due to the limited availability of high‐quality 3D grain geometry data. In this paper, we introduce a denoising diffusion algorithm that uses a set of point clouds collected from the surface of individual sand grains to generate grains in the latent space. By employing a point cloud autoencoder, the three‐dimensional point cloud structures of sand grains are first encoded into a lower‐dimensional latent space. A generative denoising diffusion probabilistic model is trained to produce synthetic sand that maximizes the log‐likelihood of the generated samples belonging to the original data distribution measured by a Kullback‐Leibler divergence. Numerical experiments suggest that the proposed method is capable of generating realistic grains with morphology, shapes and sizes consistent with the training data inferred from an F50 sand database. We then use a rigid contact dynamic simulator to pour the synthetic sand in a confined volume to form granular assemblies in a static equilibrium state with targeted distribution properties. To ensure third‐party validation, 50,000 synthetic sand grains and the 1542 real synchrotron microcomputed tomography (SMT) scans of the F50 sand, as well as the granular assemblies composed of synthetic sand grains are made available in an open‐source repository.

Vlassis, Nikolaos N.↗

NASA NTRS1993

Probabilistic nonlinear finite element analysis of composite structures

A probabilistic finite element analysis procedure for laminated composite shells is developed. A total Lagrangian finite element formulation, employing a degenerated three-dimensional laminated composite shell element with the full Green-Lagrange strains and first-order shear deformable kinematics, is used. The first-order second-moment technique for probabilistic finite element analysis of random fields is employed, and results are presented in the form of mean and variance of the structural response. Reliability calculations are made by using the first-order reliability method combined with sensitivity derivatives from the finite element analysis. Both ply-level and micromechanics-level random variables are incorporated, the latter by means of the Aboudi micromechanics model. Two sample problems are solved to verify the accuracy of the procedures developed and to quantify the variability of certain material type/structure combinations. In general, the procedure is quite effective in determining the response statistics and reliability for linear and geometric nonlinear behavior of laminated composite shells.

Engelstad, S. P.↗

NASA NTRS1996

Structures Division 1994 Annual Report

The NASA Lewis Research Center Structures Division is an international leader and pioneer in developing new structural analysis, life prediction, and failure analysis related to rotating machinery and more specifically to hot section components in air-breathing aircraft engines and spacecraft propulsion systems. The research consists of both deterministic and probabilistic methodology. Studies include, but are not limited to, high-cycle and low-cycle fatigue as well as material creep. Studies of structural failure are at both the micro- and macrolevels. Nondestructive evaluation methods related to structural reliability are developed, applied, and evaluated. Materials from which structural components are made, studied, and tested are monolithics and metal-matrix, polymer-matrix, and ceramic-matrix composites. Aeroelastic models are developed and used to determine the cyclic loading and life of fan and turbine blades. Life models are developed and tested for bearings, seals, and other mechanical components, such as magnetic suspensions. Results of these studies are published in NASA technical papers and reference publication as well as in technical society journal articles. The results of the work of the Structures Division and the bibliography of its publications for calendar year 1994 are presented.

Source record↗

NASA NTRS1997

Structures Division

Source record↗

NASA NTRS2008

Figures of Merit for Control Verification

This paper proposes a methodology for evaluating a controller's ability to satisfy a set of closed-loop specifications when the plant has an arbitrary functional dependency on uncertain parameters. Control verification metrics applicable to deterministic and probabilistic uncertainty models are proposed. These metrics, which result from sizing the largest uncertainty set of a given class for which the specifications are satisfied, enable systematic assessment of competing control alternatives regardless of the methods used to derive them. A particularly attractive feature of the tools derived is that their efficiency and accuracy do not depend on the robustness of the controller. This is in sharp contrast to Monte Carlo based methods where the number of simulations required to accurately approximate the failure probability grows exponentially with its closeness to zero. This framework allows for the integration of complex, high-fidelity simulations of the integrated system and only requires standard optimization algorithms for its implementation.

Crespo, Luis G.↗

DOE OSTI2021

Discrete Graph Structure Learning for Forecasting Multiple Time Series

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the performance of a time series model. When using deep neural networks as forecasting models, we hypothesize that exploiting the pairwise information among multiple (multivariate) time series also improves their forecast. If an explicit graph structure is known, graph neural networks (GNNs) have been demonstrated as powerful tools to exploit the structure. In this work, we propose learning the structure simultaneously with the GNN if the graph is unknown. We cast the problem as learning a probabilistic graph model through optimizing the mean performance over the graph distribution. The distribution is parameterized by a neural network so that discrete graphs can be sampled differentiably through reparameterization. Empirical evaluations show that our method is simpler, more efficient, and better performing than a recently proposed bilevel learning approach for graph structure learning, as well as a broad array of forecasting models, either deep or non-deep learning based, and graph or non-graph based.

Shang, Chao↗

NASA NTRS1995

Model checking

Automatic formal verification methods for finite-state systems, also known as model-checking, successfully reduce labor costs since they are mostly automatic. Model checkers explicitly or implicitly enumerate the reachable state space of a system, whose behavior is described implicitly, perhaps by a program or a collection of finite automata. Simple properties, such as mutual exclusion or absence of deadlock, can be checked by inspecting individual states. More complex properties, such as lack of starvation, require search for cycles in the state graph with particular properties. Specifications to be checked may consist of built-in properties, such as deadlock or 'unspecified receptions' of messages, another program or implicit description, to be compared with a simulation, bisimulation, or language inclusion relation, or an assertion in one of several temporal logics. Finite-state verification tools are beginning to have a significant impact in commercial designs. There are many success stories of verification tools finding bugs in protocols or hardware controllers. In some cases, these tools have been incorporated into design methodology. Research in finite-state verification has been advancing rapidly, and is showing no signs of slowing down. Recent results include probabilistic algorithms for verification, exploitation of symmetry and independent events, and the use symbolic representations for Boolean functions and systems of linear inequalities. One of the most exciting areas for further research is the combination of model-checking with theorem-proving methods.

Dill, David L.↗

NASA NTRS2019

Inclusion of Radiation Environment Variability for Reliability Estimates for SiC Power MOSFETs

Variability of the solar energetic particle environment is investigated for single-event-burnout reliability of silicon-carbide power metal-oxide-semiconductor field effect transistors. A probabilistic assessment of failure evaluates the benefits of de-rating voltage, shielding, and mission length. The Prediction of Solar particle Yields for Characterizing Integrating Circuits code is used to calculate a cumulative density function for the fluence of the environment. The lethal ion method is then used to determine what proportion of the environment will cause single-event-burnout. The operating voltage determines the lowest linear-energy-transfer particle that will cause single-event-burnout and that should be included in the environment distribution. The shielding and mission length also determine the final environment distribution of the mission fluence. Through calculating the reliability for different operating voltages, shielding, and mission length for a specific device, it is shown that shielding thickness and operating voltage have a large effect on reliability and can be traded off during the design.

Heavy ion↗

NASA NTRS2017

Probabilistic Forecasting of Surface Ozone with a Novel Statistical Approach

The recent change in the Environmental Protection Agency's surface ozone regulation, lowering the surface ozone daily maximum 8-h average (MDA8) exceedance threshold from 75 to 70 ppbv, poses significant challenges to U.S. air quality (AQ) forecasters responsible for ozone MDA8 forecasts. The forecasters, supplied by only a few AQ model products, end up relying heavily on self-developed tools. To help U.S. AQ forecasters, this study explores a surface ozone MDA8 forecasting tool that is based solely on statistical methods and standard meteorological variables from the numerical weather prediction (NWP) models. The model combines the self-organizing map (SOM), which is a clustering technique, with a step wise weighted quadratic regression using meteorological variables as predictors for ozone MDA8. The SOM method identifies different weather regimes, to distinguish between various modes of ozone variability, and groups them according to similarity. In this way, when a regression is developed for a specific regime, data from the other regimes are also used, with weights that are based on their similarity to this specific regime. This approach, regression in SOM (REGiS), yields a distinct model for each regime taking into account both the training cases for that regime and other similar training cases. To produce probabilistic MDA8 ozone forecasts, REGiS weighs and combines all of the developed regression models on the basis of the weather patterns predicted by an NWP model. REGiS is evaluated over the San Joaquin Valley in California and the northeastern plains of Colorado. The results suggest that the model performs best when trained and adjusted separately for an individual AQ station and its corresponding meteorological site.

Ozone variables↗

DOE OSTI2022

Active meta-learning for predicting and selecting perovskite crystallization experiments

Autonomous experimentation systems use algorithms and data from prior experiments to select and perform new experiments in order to meet a specified objective. In most experimental chemistry situations, there is a limited set of prior historical data available, and acquiring new data may be expensive and time consuming, which places constraints on machine learning methods. Active learning methods prioritize new experiment selection by using machine learning model uncertainty and predicted outcomes. Meta-learning methods attempt to construct models that can learn quickly with a limited set of data for a new task. Here in this paper, we applied the model-agnostic meta-learning (MAML) model and the Probabilistic LATent model for Incorporating Priors and Uncertainty in few-Shot learning (PLATIPUS) approach, which extends MAML to active learning, to the problem of halide perovskite growth by inverse temperature crystallization. Using a dataset of 1870 reactions conducted using 19 different organoammonium lead iodide systems, we determined the optimal strategies for incorporating historical data into active and meta-learning models to predict reaction compositions that result in crystals. We then evaluated the best three algorithms (PLATIPUS and active-learning k-nearest neighbor and decision tree algorithms) with four new chemical systems in experimental laboratory tests. With a fixed budget of 20 experiments, PLATIPUS makes superior predictions of reaction outcomes compared to other active-learning algorithms and a random baseline.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Scalable Risk Assessment of Rare Events in Power Systems With Uncertain Wind Generation and Loads

Risk assessment of rare events has become increasingly important in power system planning and operation with the increasing integration of renewable energy and the presence of system uncertainties. However, quantifying the risk posed by rare events via the traditional method, i.e., Monte Carlo sampling (MCS), incurs substantial computational expense stemming from the vast ensemble of power flow simulations. To accelerate the assessment, this paper proposes a Deep Neural Network (DNN)-kernelized vector-valued Gaussian Process (VVGP) approach with excellent computational efficiency while maintaining high accuracy. Consequently, serving as a surrogate model for the power flow solver, the DNN-kernelized VVGP enables significantly faster but accurate risk assessment compared to the power flow solver. The developed surrogate model evaluates low-order N - k events that contain more than 90% instances by adeptly capturing the topological features while the high-order N - k events are assessed via a power flow solver, thereby striking a balance between computational efficiency and uncertainty quantification accuracy. Moreover, the model incorporates a Support Vector Machine (SVM) classifier to resample concerning low-probability tail events to counteract the biases potentially introduced during the DNN-kernelized VVGP evaluations. Simulations conducted on the modified IEEE 24-bus, 118-bus, and European 1354-bus systems demonstrate that the proposed method maintains the accuracy benchmark set by MCS while significantly reducing computational demands in large-scale power systems as compared to other state-of-the-art methods.

17 WIND ENERGY↗

DOE OSTI2020

Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences

Data science has primarily focused on big data, but for many physics, chemistry, and engineering applications, data are often small, correlated and, thus, low dimensional, and sourced from both computations and experiments with various levels of noise. Typical statistics and machine learning methods do not work for these cases. Expert knowledge is essential, but a systematic framework for incorporating it into physics-based models under uncertainty is lacking. Here, we develop a mathematical and computational framework for probabilistic artificial intelligence (AI)–based predictive modeling combining data, expert knowledge, multiscale models, and information theory through uncertainty quantification and probabilistic graphical models (PGMs). We apply PGMs to chemistry specifically and develop predictive guarantees for PGMs generally. Our proposed framework, combining AI and uncertainty quantification, provides explainable results leading to correctable and, eventually, trustworthy models. The proposed framework is demonstrated on a microkinetic model of the oxygen reduction reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Performability analysis using semi-Markov reward processes

Beaudry (1978) proposed a simple method of computing the distribution of performability in a Markov reward process. Two extensions of Beaudry's approach are presented. The method is generalized to a semi-Markov reward process by removing the restriction requiring the association of zero reward to absorbing states only. The algorithm proceeds by replacing zero-reward nonabsorbing states by a probabilistic switch; it is therefore related to the elimination of vanishing states from the reachability graph of a generalized stochastic Petri net and to the elimination of fast transient states in a decomposition approach to stiff Markov chains. The use of the approach is illustrated with three applications.

Ciardo, Gianfranco↗

NASA NTRS2020

Subseasonal-to-Seasonal Hindcast Skill Assessment of Ridging Events Related to Drought Over the Western United States

Persistent atmospheric ridging events centered near the western United States are associated with widespread precipitation deficits and meteorological drought. Due to the relatively low skill of- dynamical models in forecasting precipitation on subseasonal‐to‐seasonal (S2S) time scales across this region, forecasts of ridging are explored in this study as a potential bridge for early warning drought prediction. To assess skill, we evaluate deterministic and probabilistic S2S hindcasts (out to 6 week lead time) of ridging events and geopotential height anomalies over the western United States in five ensemble hindcast systems. Prediction skill for ridging events is shown to be highly variable across models. For some models, longer‐time‐averaged patterns of geopotential height anomalies across the first 6 weeks can be skillfully simulated, when evaluated probabilistically against climatology. The most skillful models show modest skill in forecasting above normal ridging occurrences at lead times of Weeks 3–4 and Weeks 5–6,with some sensitivity to the specific ridge location and method for determining skill. Using the European Centre for Medium‐Range Weather Forecasts (ECMWF) model as a case study, longer lead time forecast busts are shown to often occur under extended periods of highly active La Nina‐like tropical convection. Model errors at simulating these tropical convection features may have a disproportionately large impact and degrade downstream forecasts over the western United States. Despite the documented model shortcomings, our results highlight an opportunity to target skillful ridging forecasts from dynamical models for improving early warning drought forecasting at S2S lead times.

S2S↗

NASA NTRSDate not supplied

Toward an IMU-Based Space Suit Motion Capture System

Spacesuits are complex engineering systems that sustain human health and enable performance outside Earth-like environments. These systems must support human mobility and physical workload demands while minimizing injury risk during extravehicular activity (EVA). Future EVA operations on the Lunar surface are expected to be more frequent and require higher physical workloads than previously during the ISS, Shuttle, and Apollo programs. To characterize the workloads and ergonomics needs a suit must support, the kinematics of the space suit must be measured during operationally-relevant tasks in ground analog environments. Kinematics capture of the suit is challenging for traditional optical motion capture (OMC) approaches due to marker occlusion, harsh lighting or environmental conditions, and tests with suit surrogates in outdoor field environments. To this end, engineers at NASA are developing the Augmented Suit Inverse Kinematics (ASIK) system, a complete motion capture method and inverse kinematics solver which relies solely on a network of wireless inertial measurement units (IMUs) attached to the major kinematic segments of the spacesuit. The ASIK modeling language allows for the simple inclusion of probabilistic priors such as suit size and shape or IMU poses. The ASIK system was tested in a 7-subject pilot study. Each subject donned NASA’s new prototype exploration spacesuit in the Active Response Gravity Offload System (ARGOS) facility at Johnson Space Center in Houston, TX. The suits were outfitted with 12 IMUs to estimate lower body and trunk kinematics. The suits were also outfitted with a set of reflective OMC markers, and traditional OMC data was collected and processed. Characterization of the ASIK-derived suit joint angles’ accuracy against an optical motion capture datum will be presented. Discussion of these results, as well as discussion of system calibration and nuances of mathematical observability, will be included.

IMU↗