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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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- Machine Learning (ML) has enabled models that can improve efficiency and decrease computational cost - ML models are crucial in enabling Integrated Computational Materials Engineering (ICME) - Large data sets require robust means of storing ML data and models
This GitLab project contains the training data that was used for the metadata machine learning classification project.
This paper presents an integrated technical framework to protect pipelines against both malicious intrusions and piping degradation using a distributed fiber sensing technology and artificial intelligence. A distributed acoustic sensing (DAS) system based on phase-sensitive optical time-domain reflectometry (φ-OTDR) was used to detect acoustic wave propagation and scattering along pipeline structures consisting of straight piping and sharp bend elbow. Signal to noise ratio of the DAS system was enhanced by femtosecond induced artificial Rayleigh scattering centers. Data harnessed by the DAS system were analyzed by neural network-based machine learning algorithms. The system identified with over 85% accuracy in various external impact events, and over 94% accuracy for defect identification through supervised learning and 71% accuracy through unsupervised learning.
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Data parallel techniques have been widely adopted both in academia and industry as a tool to enable scalable training of deep learning models. At scale, DL training jobs can fail due to software or hardware bugs, may need to be preempted or terminated due to unexpected events, or may perform suboptimally because they were misconfigured. Under such circumstances, there is a need to recover and/or reconfigure data-parallel DL training jobs on-the-fly, while minimizing the impact on the accuracy of the DNN model and the runtime overhead. In this regard, state-of-art techniques adopted by the HPC community mostly rely on checkpoint-restart, which inevitably leads to loss of progress, thus increasing the runtime overhead. In this paper we explore alternative techniques that exploit the properties of modern deep learning frameworks (overlapping of gradient averaging and weight updates with local gradient computations through pipeline parallelism) to reduce the overhead of resilience/elasticity. To this end we introduce a failure simulation framework and two resilience strategies (immediate mini-batch rollback and lossy forward recovery), which we study compared with checkpoint-restart approaches in a variety of settings in order to understand the trade-offs between the accuracy loss of the DNN model and the runtime overhead.
The expansion of distribution power system and the growing penetration of distributed energy resources present new challenges for situational awareness. Calibrating the extended system model with sensor measurements and maintaining the usability is critical for utilities. This paper presents a distribution network parameter estimation (DNPE) approach using machine learning (ML) and metering data that improve the quality of extended distribution power system modeling. The reliability model can improve the ability of endpoint data to be translated into network-level situational awareness in real time and help distribution system operators (DSOs) solve branch flow and voltage problems. In addition, a data analytic and automate processing scheme is proposed to improve the sensor data quality and prevent misleading information. The effectiveness of the proposed method is verified with actual advanced metering infrastructure (AMI) data on a real utility feeder model, while considering the higher penetration of photovoltaic power generation. The test of DNPE and study results are demonstrated in this paper.
XPlacer Machine Learning Guided Data Placement uses machine learning model to assist programmers to select the data placement advises for application running on HPC system with Nvidia GPUs. XPlacer Machine Learning Guided Data Placement consists three components: (1) 4 revised benchmarks from Rodinia benchmarks; (2) compiler script and execution script to generate variants, and collect training data for the machine learning model; (3) the scripts to post-process the collected data and generate the machine leaning model.
Learning control algorithms have been proposed for error compensation in repetitive robotic manipulator tasks. It is shown that the performance of such control algorithms can be seriously degraded when the feedback data they use is relatively sparse in time, such as might be provided by vision systems. It is also shown that learning control algorithms can be modified to compensate for the effects of sparse data and thereby yield performance which approaches that of systems without limitations on the sensory information available for control.
The development of algorithms for machine learning and data analysis for the 3013 MIS corrosion surveillance program is a collaborative effort by SRNL, USC and GT. For corrosion detection, LCM image data is extracted from large binary files, with software written to convert the data to physical attributes (i.e. height, color and grayscale values; all as functions of a location in a plane projection). The user interface for the software permits selective downloading of binary data and interrogation of attributes. User input thresholds are used to flag attributes of interest. Machine learning algorithms, developed for this application, are used to determine whether the features are the result of corrosion. To address the fundamental mechanisms of corrosion, machine learning algorithms are being developed to derive interatomic potential force-fields from ab-initio DFT calculations. The goal is to apply molecular modeling on a large enough scale to guide the design of resistant materials.
Abstract Neural networks (NNs) are increasingly used for data‐driven subgrid‐scale parameterizations in weather and climate models. While NNs are powerful tools for learning complex non‐linear relationships from data, there are several challenges in using them for parameterizations. Three of these challenges are (a) data imbalance related to learning rare, often large‐amplitude, samples; (b) uncertainty quantification (UQ) of the predictions to provide an accuracy indicator; and (c) generalization to other climates, for example, those with different radiative forcings. Here, we examine the performance of methods for addressing these challenges using NN‐based emulators of the Whole Atmosphere Community Climate Model (WACCM) physics‐based gravity wave (GW) parameterizations as a test case. WACCM has complex, state‐of‐the‐art parameterizations for orography‐, convection‐, and front‐driven GWs. Convection‐ and orography‐driven GWs have significant data imbalance due to the absence of convection or orography in most grid points. We address data imbalance using resampling and/or weighted loss functions, enabling the successful emulation of parameterizations for all three sources. We demonstrate that three UQ methods (Bayesian NNs, variational auto‐encoders, and dropouts) provide ensemble spreads that correspond to accuracy during testing, offering criteria for identifying when an NN gives inaccurate predictions. Finally, we show that the accuracy of these NNs decreases for a warmer climate (4 × CO 2 ). However, their performance is significantly improved by applying transfer learning, for example, re‐training only one layer using ∼1% new data from the warmer climate. The findings of this study offer insights for developing reliable and generalizable data‐driven parameterizations for various processes, including (but not limited to) GWs.
The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.
This data package is associated with the publication “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning’’ submitted to the Journal of Geophysical Research: Machine Learning and Computation (Scheibe et al. 2024). River sediment respiration observations are expensive and labor intensive to obtain and there is no physical model for predicting this quantity. The Worldwide Hydrobiogeochemisty Observation Network for Dynamic River Systems (WHONDRS) observational data set (Goldman et al.; 2020) is used to train machine learning (ML) models to predict respiration rates at unsampled sites. This repository archives training data, ML models, predictions, and model evaluation results for the purposes of reproducibility of the results in the associated manuscript and community reuse of the ML models trained in this project. One of the key challenges in this work was to find an optimum configuration for machine learning models to work with this feature-rich (i.e. 100+ possible input variables) data set. Here, we used a two-tiered approach to managing the analysis of this complex data set: 1) a stacked ensemble of ML models that can automatically optimize hyperparameters to accelerate the process of model selection and tuning and 2) feature permutation importance to iteratively select the most important features (i.e. inputs) to the ML models. The major elements of this ML workflow are modular, portable, open, and cloud-based, thus making this implementation a potential template for other applications. This data package is associated with the GitHub repository found at Please see the file level metadata (flmd; “sl-archive-whondrs_flmd.csv”) for a list of all files contained in this data package and descriptions for each. Please see the data dictionary (dd; “sl-archive-whondrs_dd.csv”) for a list of all column headers contained within comma separated value (csv) files in this data package and descriptions for each. The GitHub repository is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning models trained on the data in “input_data”; (3) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; (4) “examples” contains the visualization of the results in this repository including plotting scripts for the manuscript (e.g., model evaluation, FPI results) and scripts for running predictions with the ML models (i.e., reusing the trained ML models); (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. Furthermore, depending on the number of features used to train the ML models, the preprocessing and postprocessing scripts, and their intermediate results, can also be different branch-to-branch. The “main-*” branches are meant to be starting points (i.e. trunks) for each model branch (i.e. sprouts). Please see the Branch Navigation section in the top-level README.md in the GitHub repository for more details. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please the top-level README.md in the GitHub repository for more details on the automation.
A theoretical framework which unifies the conventional Mori--Zwanzig formalism and the approximate Koopman learning of deterministic dynamical systems from noiseless observation is presented. In this framework, the Mori--Zwanzig formalism, developed in statistical mechanics to tackle the hard problem of construction of reduced-order dynamics for high-dimensional dynamical systems, can be considered as a natural generalization of the Koopman description of the dynamical system. We next show that, similar to the approximate Koopman learning methods, data-driven methods can be developed for the Mori--Zwanzig formalism with Mori's linear projection operator. We have developed two algorithms to extract the key operators, the Markov and the memory kernel, using time series of a reduced set of observables in a dynamical system. We have adopted the Lorenz `96 system as a test problem and solved for the above operators. These operators exhibit complex behaviors, which are unlikely to be captured by traditional modeling approaches in Mori--Zwanzig analysis. The nontrivial generalized fluctuation-dissipation relationship, which relates the memory kernel with the two-time correlation statistics of the orthogonal dynamics, was numerically verified as a validation of the solved operators. Here we present numerical evidence that the generalized Langevin equation, a key construct in the Mori--Zwanzig formalism, is more advantageous in predicting the evolution of the reduced set of observables than the conventional approximate Koopman operators.
Wind farm design primarily depends on the variability of the wind turbine wake flows to the atmospheric wind conditions and the interaction between wakes. Physics-based models that capture the wake flow field with high-fidelity are computationally very expensive to perform layout optimization of wind farms, and, thus, data-driven reduced-order models can represent an efficient alternative for simulating wind farms. In this work, we use real-world light detection and ranging (LiDAR) measurements of wind-turbine wakes to construct predictive surrogate models using machine learning. Specifically, we first demonstrate the use of deep autoencoders to find a low-dimensional latent space that gives a computationally tractable approximation of the wake LiDAR measurements. Then, we learn the mapping between the parameter space and the (latent space) wake flow fields using a deep neural network. Additionally, we also demonstrate the use of a probabilistic machine learning technique, namely, Gaussian process modeling, to learn the parameter-space-latent-space mapping in addition to the epistemic and aleatoric uncertainty in the data. Finally, to cope with training large datasets, we demonstrate the use of variational Gaussian process models that provide a tractable alternative to the conventional Gaussian process models for large datasets. Furthermore, we introduce the use of active learning to adaptively build and improve a conventional Gaussian process model predictive capability. Overall, we find that our approach provides accurate approximations of the wind-turbine wake flow field that can be queried at an orders-of-magnitude cheaper cost than those generated with high-fidelity physics-based simulations.
Three gaps impede the development of cost-effective and accurate data-driven building energy modeling/models (DBEM) for energy forecasting and predictive control strategies. Gap 1: data bias is common in building operation data, but this topic is hardly studied in DBEM; Gap 2: high data dimensionality is common in DBEM, but a systematic and scalable methodology is lacking to solve the problem; Gap 3: the interactions between data bias and high dimensionality have not been systematically studied for DBEM and predictive control in buildings. In this work, to address the three gaps mentioned above, we develop a framework that integrates active learning and feature selection for DBEM used for whole building data predictive control (or DPC, which is a branch of model predictive control). The framework provides a systematic methodology and automatic workflow that starts with raw data from building automation systems to the establishment of data-driven energy models for DPC controllers. The developed strategies and framework are evaluated in a virtual testbed based on EnergyPlus and BCVTB. Improved performance and reduced computational complexity are observed from the DBEM built with the developed framework, as well as the DPC controller based on that DBEM, indicating the effectiveness of the developed framework.
A key challenge to nonlocal models is the analytical complexity of deriving them from first principles, and frequently their use is justified a posteriori. Here, we extract nonlocal models from data, circumventing these challenges and providing data-driven justification for the resulting model form. Extracting data-driven surrogates is a major challenge for machine learning (ML) approaches, due to nonlinearities and lack of convexity — it is particularly challenging to extract surrogates which are provably well-posed and numerically stable. Our scheme not only yields a convex optimization problem, but also allows extraction of nonlocal models whose kernels may be partially negative while maintaining well-posedness even in small-data regimes. To achieve this, based on established nonlocal theory, we embed in our algorithm sufficient conditions on the non-positive part of the kernel that guarantee well-posedness of the learnt operator. These conditions are imposed as inequality constraints to meet the requisite conditions of the nonlocal theory. We demonstrate this workflow for a range of applications, including reproduction of manufactured nonlocal kernels; numerical homogenization of Darcy flow associated with a heterogeneous periodic microstructure; nonlocal approximation to high-order local transport phenomena; and approximation of globally supported fractional diffusion operators by truncated kernels.