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At least 397 records · Page 22

An adaptive Hessian approximated stochastic gradient MCMC method

Bayesian approaches have been successfully integrated into training deep neural networks. One popular family is stochastic gradient Markov chain Monte Carlo methods (SG-MCMC), which have gained increasing interest due to their ability to handle large datasets and the potential to avoid overfitting. Although standard SG-MCMC methods have shown great performance in a variety of problems, they may be inefficient when the random variables in the target posterior densities have scale differences or are highly correlated. Here, we present an adaptive Hessian approximated stochastic gradient MCMC method to incorporate local geometric information while sampling from the posterior. The idea is to apply stochastic approximation (SA) to sequentially update a preconditioning matrix at each iteration. The preconditioner possesses second-order information and can guide the random walk of a sampler efficiently. Instead of computing and saving the full Hessian of the log posterior, we use limited memory of the samples and their stochastic gradients to approximate the inverse Hessian-vector multiplication in the updating formula. Moreover, by smoothly optimizing the preconditioning matrix via SA, our proposed algorithm can asymptotically converge to the target distribution with a controllable bias under mild conditions. To reduce the training and testing computational burden, we adopt a magnitude-based weight pruning method to enforce the sparsity of the network. Our method is user-friendly and demonstrates better learning results compared to standard SG-MCMC updating rules. The approximation of inverse Hessian alleviates storage and computational complexities for large dimensional models. Numerical experiments are performed on several problems, including sampling from 2D correlated distribution, synthetic regression problems, and learning the numerical solutions of heterogeneous elliptic PDE. The numerical results demonstrate great improvement in both the convergence rate and accuracy.

97 MATHEMATICS AND COMPUTING↗

Biopolymer-Templated Titania Film Formation for Nanostructured Coatings Revealed by Machine Learning-Supported Time-Resolved Analysis

This study presents a machine learning approach to derive the film formation of biopolymer-templated titania nanostructures during spray deposition, in combination with in situ grazing-incidence small-angle X-ray scattering (GISAXS). A neural network trained on synthetic GISAXS data directly predicts domain-size distributions from experimental two-dimensional scattering patterns, capturing the full kinetics of nanostructure evolution with high temporal resolution. The predictions reveal hierarchical size distributions and periodic growth features, consistent with layer-by-layer spray deposition and validated by complementary scanning electron microscopy (SEM) imaging. Quantitative comparison with conventional parametric GISAXS fits shows good qualitative agreement, with systematic differences explained by domain-shape assumptions and resolved by applying a geometric scaling factor. Simulated SEM-like surfaces derived from neural network outputs reproduce the porous, foam-like nanoscale morphology observed experimentally, reinforcing the method’s credibility. This integrated approach enables real-time, nondestructive, statistically averaged monitoring of bulk nanostructure development in functional coatings, offering a scalable methodology to accelerate the characterization and process control of sustainably manufactured nanostructured titania films for energy-related applications such as photocatalysis and photovoltaics.

Heger, JulianEliah↗

pnnl/SNAP

In this work, we detail two uncertainty quantification (UQ) methods that provide complementary information. Readout ensembling, by finetuning only the readout layers of an ensemble of foundation models, provides information about model uncertainty. Amending the final readout layer to predict upper and lower quantiles replaces point predictions with distributional predictions, which provide information about uncertainty within the underlying training data. We demonstrate our approach with the MACE-MP-0 model, applying UQ to both the foundation model and a series of finetuned models. The uncertainties produced by the ensemble and quantile methods are demonstrated to be distinct measures by which the quality of the NNP output can be judged.

Pope, Jenna (Bilbrey) [Pacific Northwest National ↗

The influence of autocorrelation in signature extraction: An example from a geobotanical investigation of Cotter Basin, Montana

The presence of positive serial correlation (autocorrelation) in remotely sensed data results in an underestimate of the variance-covariance matrix when calculated using contiguous pixels. This underestimate produces an inflation in F statistics. For a set of Thematic Mapper Simulator data (TMS), used to test the ability to discriminate a known geobotanical anomaly from its background, the inflation in F statistics related to serial correlation is between 7 and 70 times. This means that significance tests of means of the spectral bands initially appear to suggest that the anomalous site is very different in spectral reflectance and emittance from its background sites. However, this difference often disappears and is always dramatically reduced when compared to frequency distributions of test statistics produced by the comparison of simulated training sets possessing equal means, but which are composed of autocorrelated observations.

Labovitz, M. L.↗

The influence of autocorrelation in signature extraction - An example from a geobotanical investigation of Cotter Basin, MT

The presence of positive serial correlation (autocorrelation) in remotely sensed data results in an underestimate of the variance-covariance matrix when calculated using contiguous pixels. This underestimate produces an inflation in F statistics. For a set of Thematic Mapper Simulator data (TMS), used to test the ability to discriminate a known geobotanical anomaly from its background, the inflation in F statistics related to serial correlation is between 7 and 70 times. This means that significance tests of means of the spectral bands initially appear to suggest that the anomalous site is very different in spectral reflectance and emittance from its background sites. However, this difference often disappears and is always dramatically reduced when compared to frequency distributions of test statistics produced by the comparison of simulated training sets possessing equal means, but which are composed of autocorrelated observations. Previously announced in STAR as N82-25602

Labovitz, M. L.↗

The influence of autocorrelation in signature extraction - An example from a geobotanical investigation of Cotter Basin, Montana

The presence of positive serial correlation (autocorrelation) in remotely sensed data results in an underestimate of the variance-covariance matrix when calculated using contiguous pixels. This underestimate produces an inflation in F statistics. For a set of Thematic Mapper Simulator data (TMS), used to test the ability to discriminate a known geobotanical anomaly from its background, the inflation in F statistics related to serial correlation is between 7 and 70 times. This means that significance tests of means of the spectal bands initially appear to suggest that the anomalous site is very different in spectral reflectance and emittance from its background sites. However, this difference often disappears and is always dramatically reduced when compared to frequency distributions of test statistics produced by the comparison of simulated training sets possessing equal means, but which are composed of autocorrelated observations.

Labovitz, M. L.↗

Remote voice training: A case study on space shuttle applications, appendix C

The Tile Automation System includes applications of automation and robotics technology to all aspects of the Shuttle tile processing and inspection system. An integrated set of rapid prototyping testbeds was developed which include speech recognition and synthesis, laser imaging systems, distributed Ada programming environments, distributed relational data base architectures, distributed computer network architectures, multi-media workbenches, and human factors considerations. Remote voice training in the Tile Automation System is discussed. The user is prompted over a headset by synthesized speech for the training sequences. The voice recognition units and the voice output units are remote from the user and are connected by Ethernet to the main computer system. A supervisory channel is used to monitor the training sequences. Discussions include the training approaches as well as the human factors problems and solutions for this system utilizing remote training techniques.

Mollakarimi, Cindy↗

Flight elements subpanel introduction and overview

Major objectives, milestones, key contacts, technology issues, accomplishments, and candidate programs are outlined. Topics addressed include: advanced avionics systems architectures; advanced information processing; avionics concepts; integrated Global Positioning System/guidance, navigation, and command concepts; advanced communication and telemetry; display and control concepts; advanced sensors and instrumentation; fault detection and fault management; advanced electric power, distribution, and control; EMA/power systems; and in-flight crew training. This presentation is represented by viewgraphs only.

Sollock, Paul E.↗

Mixing Enhancement by Tabs in Round Supersonic Jets

The objective of this study was to analyze jet plume mass flow entrainment rates associated with the introduction of counter-rotating streamwise vorticity by prism shaped devices (tabs) located at the lip of the nozzle. We have examined the resulting mixing process through coordinated experimental tests and numerical simulations of the supersonic flow from a model axisymmetric nozzle. In the numerical simulations, the total induced vorticity was held constant while varying the distribution of counter-rotating vorticity around the nozzle lip training edge. In the experiment, the number of tabs applied was varied while holding the total projected area constant. Evaluations were also conducted on initial vortex strength. The results of this work show that the initial growth rate of the jet shear layer is increasingly enhanced as more tabs are added, but that the lowest tab count results in the largest entrained mass flow. The numerical simulations confirm these results.

Seiner, John M.↗

Optimization of Training Sets for Neural-Net Processing of Characteristic Patterns from Vibrating Solids

Artificial neural networks have been used for a number of years to process holography-generated characteristic patterns of vibrating structures. This technology depends critically on the selection and the conditioning of the training sets. A scaling operation called folding is discussed for conditioning training sets optimally for training feed-forward neural networks to process characteristic fringe patterns. Folding allows feed-forward nets to be trained easily to detect damage-induced vibration-displacement-distribution changes as small as 10 nm. A specific application to aerospace of neural-net processing of characteristic patterns is presented to motivate the conditioning and optimization effort.

Decker, Arthur J.↗

NASA Virtual Glovebox: An Immersive Virtual Desktop Environment for Training Astronauts in Life Science Experiments

The International Space Station will soon provide an unparalleled research facility for studying the near- and longer-term effects of microgravity on living systems. Using the Space Station Glovebox Facility - a compact, fully contained reach-in environment - astronauts will conduct technically challenging life sciences experiments. Virtual environment technologies are being developed at NASA Ames Research Center to help realize the scientific potential of this unique resource by facilitating the experimental hardware and protocol designs and by assisting the astronauts in training. The Virtual GloveboX (VGX) integrates high-fidelity graphics, force-feedback devices and real- time computer simulation engines to achieve an immersive training environment. Here, we describe the prototype VGX system, the distributed processing architecture used in the simulation environment, and modifications to the visualization pipeline required to accommodate the display configuration.

Twombly, I. Alexander↗

Working With Your Utility Series: Interconnection Basics

This training provided information on interconnection basics for federal agencies developing distributed energy projects. Considerations covered included: Understanding interconnection processes and timelines, interconnection siting considerations, technology-specific interconnection issues, and interconnect agreements. This webinar is the first in a multi-part series on working with electric utilities to develop distributed energy projects on federal sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-Kernel Adaptive Support Vector Machine for Scalable Predictive Maintenance

Application of data-driven solutions across an industry is challenging, since the data are often stored locally, and increasing privacy and security concerns restrict access to the data. In addition, it is highly unlikely that all potential data patterns are captured in a single data source. Because it is highly unlikely that all potential data patterns are captured in a single data source, machine learning (ML) models developed from a single source cannot be robust enough. An alternative is to train the ML model at each source and develop a distributed knowledge discovery and aggregation approach to build global knowledge. In this paper, we develop and demonstrate a distributed ML model, federated transfer learning (FTL), using a multi-kernel-based adaptive support vector machine (MK-A-SVM). For federated learning (FL), the multi-kernel (MK) approach enables feature-specific model aggregation under data heterogeneity; whereas for transfer learning (TL) the adaptive model enables utilization of an aggregated model from a different task. The proposed approach is validated using nuclear power plant (NPP) vertical motor-driven pump data to predict the health condition of vertical motor-driven pumps as an anomaly detection. The efficiency of the proposed approach is also quantified and compared with neural network.

42 ENGINEERING↗

Distribution of pulmonary ventilation and perfusion during short periods of weightlessness

Airborne experiments were conducted on four trained normal male subjects (28-40 yr) to study pulmonary function during short periods (22-27 sec) of zero gravity obtained by flying a jet aircraft through appropriate parabolic trajectories. The cabin was always pressurized to a sea-level altitude. The discussion is limited to pulmonary ventilation and perfusion. The results clearly demonstrate that gravity is the major factor causing nonuniformity in the topographical distribution of pulmonary ventilation. More importantly, the results suggest that virtually all the topographical nonuniformity of ventilation, blood flow, and lung volume observed under 1-G conditions are eliminated during short periods of zero gravity.

Michels, D. B.↗

Normalizing flows for likelihood-free inference with fusion simulations

Fluid-based scrape-off layer transport codes, such as UEDGE, are heavily utilized in tokamak analysis and design, but typically require user-specified anomalous transport coefficients to match experiments. Determining the uniqueness of these parameters and the uncertainties in them to match experiments can provide valuable insights to fusion scientists. Here, we leverage recent work in the area of likelihood-free inference (‘simulation-based inference’) to train a neural network, which enables accurate statistical inference of the anomalous transport coefficients given experimental plasma profile input. UEDGE is treated as a black-box simulator and runs multiple times with anomalous transport coefficients sampled from priors, and the neural network is trained on these simulations to emulate the posterior. The neural network is trained as a normalizing flow model for density estimation, allowing it to accurately represent complicated, high-dimensional distribution functions. With a fixed simulation budget, we compare a single-round procedure to a multi-round approach that guides the training simulations toward a specific target observation. Finally, we discuss the future possibilities for use of amortized models, which train on a wide range of simulations and enable fast statistical inference for results during experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Estimating Watershed Subsurface Permeability From Stream Discharge Data Using Deep Neural Networks

Subsurface permeability is a key parameter in watershed models that controls the contribution from the subsurface flow to stream flows. Since the permeability is difficult and expensive to measure directly at the spatial extent and resolution required by fully distributed watershed models, estimation through inverse modeling has had a long history in subsurface hydrology. The wide availability of stream surface flow data, compared to groundwater monitoring data, provides a new data source to infer soil and geologic properties using integrated surface and subsurface hydrologic models. As most of the existing methods have shown difficulty in dealing with highly nonlinear inverse problems, we explore the use of deep neural networks for inversion owing to their successes in mapping complex, highly nonlinear relationships. We train various deep neural network (DNN) models with different architectures to predict subsurface permeability from stream discharge hydrograph at the watershed outlet. The training data are obtained from ensemble simulations of hydrographs corresponding to an permeability ensemble using a fully-distributed, integrated surface-subsurface hydrologic model. The trained model is then applied to estimate the permeability of the real watershed using its observed hydrograph at the outlet. Our study demonstrates that the permeabilities of the soil and geologic facies that make significant contributions to the outlet discharge can be more accurately estimated from the discharge data. Their estimations are also more robust with observation errors. Compared to the traditional ensemble smoother method, DNNs show stronger performance in capturing the nonlinear relationship between permeability and stream hydrograph to accurately estimate permeability. Our study sheds new light on the value of the emerging deep learning methods in assisting integrated watershed modeling by improving parameter estimation, which will eventually reduce the uncertainty in predictive watershed models.

54 ENVIRONMENTAL SCIENCES↗

Physics-Informed Machine Learning Model for Ceramic Matrix Composite Creep

A physics-informed recurrent neural network (RNN) based surrogate model is developed to emulate the nonlinear, time-dependent constitutive behavior of ceramic matrix composites (CMCs) driven by matrix damage and constituent creep at the microscale. Physics-informed constraints are introduced into the surrogate model through regularization to ground the prediction in physics and improve its predictive capabilities. Training data is generated using the high-fidelity generalized method of cells (HFGMC) approach which calls appropriate creep and damage models for each of the constituents. This coupling permits simulating the nonlinear behavior of CMCs based on constituent response at the microscale along with microstructural features such as fiber and porosity volume fraction and fiber radius. The microscale repeating unit cell is loaded under creep fatigue conditions to replicate the material loading experienced in a turbine engine. Therefore, the RNN-based surrogate model is tasked with predicting, as a function of variable input stress sequence, temperature, and microstructural features, the resulting strain history response while satisfying physical constraints related to creep rate, isochoric inelastic deformation, and strain energy density. The trained surrogate model is shown to effectively match the strain history over quantified distributions of microstructural features and relevant loading regimes and temperatures. Neural network based surrogate models can offer efficient alternatives to running computationally intensive multiscale material models to simulate the nonlinear response of large structural models. Therefore, the presented work provides evidence towards the feasibility of developing, training, and running such models for CMCs with complex microstructures, nonlinear time-dependent material response, and under non-monotonic loading conditions.

ceramic matrix composites↗

Adaptive hyperparameter updating for training restricted Boltzmann machines on quantum annealers

Restricted Boltzmann Machines (RBMs) have been proposed for developing neural networks for a variety of unsupervised machine learning applications such as image recognition, drug discovery, and materials design. The Boltzmann probability distribution is used as a model to identify network parameters by optimizing the likelihood of predicting an output given hidden states trained on available data. Training such networks often requires sampling over a large probability space that must be approximated during gradient based optimization. Quantum annealing has been proposed as a means to search this space more efficiently which has been experimentally investigated on D-Wave hardware. D-Wave implementation requires selection of an effective inverse temperature or hyperparameter (β) within the Boltzmann distribution which can strongly influence optimization. Here, we show how this parameter can be estimated as a hyperparameter applied to D-Wave hardware during neural network training by maximizing the likelihood or minimizing the Shannon entropy. We find both methods improve training RBMs based upon D-Wave hardware experimental validation on an image recognition problem. Neural network image reconstruction errors are evaluated using Bayesian uncertainty analysis which illustrate more than an order magnitude lower image reconstruction error using the maximum likelihood over manually optimizing the hyperparameter. The maximum likelihood method is also shown to out-perform minimizing the Shannon entropy for image reconstruction.

97 MATHEMATICS AND COMPUTING↗