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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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DOE OSTI2024

hls4ml

hls4ml (high level synthesis for machine learning) Is a Python package used to translate commonly used open-source machine learning models into HLS. This is useful in machine learning applications on FPGAs. Machine learning algorithms are only as fast as the hardware that they are used on, and some applications require high speed without sacrificing accuracy. In these situations, an FPGA is a good choice since it is faster than a CPU or a GPU, but programming an FPGA is difficult. This is where hls4ml can be used to simplify the process, as a well-known learning model can be converted to HLS and more easily deployed onto an FPGA. There are many use cases for a machine learning algorithm running on an FPGA. For example, detectors in a particle accelerator cannot keep every event that they detect, and so a computer must decide which events to keep and which to discard. Using an FPGA with a machine learning algorithm would be a good way to keep as many events as possible.

Swanson, Caiden↗

DOE OSTI2019

The importance of atmospheric turbulence and stability in machine-learning models of wind farm power production

Machine learning is frequently applied in the wind energy industry to build statistical models of wind farm power production using atmospheric data as input. In the field of wind power forecasting, in particular, there has been substantial research into finding the best-performing learning algorithms that improve model predictions. Overlooked in the literature, however, is the influence of atmospheric turbulence and stability measurements in improving model predictions. It has been well-established through observations and physical models that these effects can have considerable influence on wind farm power production; yet consideration of these effects in statistical models is almost entirely absent from the literature. In this work, we examine the impact of atmospheric turbulence and stability inputs on statistical model predictions of wind farm power output. Hourly observations from a wind farm in the Pacific Northwest United States located in very complex terrain are used. Five common learning algorithms and nine atmospheric variables are considered, five of which represent some measure of turbulence or stability. Here, we find a considerable improvement in hourly power predictions when some measure of turbulence or stability is included in the model. In particular, turbulent kinetic energy was found to be the most important variable apart from wind speed and more important than wind direction, pressure, and temperature. By contrast, the choice of learning algorithm is shown to be relatively less important in improving predictions. Based on this work, we recommend that turbulence and stability variables become standard inputs into statistical models of wind farm power production.

17 WIND ENERGY↗

DOE OSTI2016

Cortexsys v. 3.0

This code implements a variety of "deep learning" algorithms from openly published academic journals. These deep learning algorithms allow the user to train neural networks to do various tasks. Such tasks include predicting future values in a time sequence, categorizing images or compressing information. The code is mostly written in the easy to understand Matlab / GNU Octave language, which enables rapid prototyping and understanding for research and educational purposes.

Cox, JonathanA.↗

DOE OSTI2016

CrossSim

CrossSim is a simulator for modeling neural-inspired machine learning algorithms on analog hardware, such as resistive memory crossbars. It includes noise models for reading and updating the resistances, which can be based on idealized equations or experimental data. It can also introduce noise and finite precision effects when converting values from digital to analog and vice versa. All of these effects can be turned on or off as an algorithm processes a data set and attempts to learn its salient attributes so that it can be categorized in the machine learning training/classification context. CrossSim thus allows the robustness, accuracy, and energy usage of a machine learning algorithm to be tested on simulated hardware.

Plimpton, StevenJ.↗

DOE OSTI2016

Cortexsys v. 3.0

Cox, Jonathan A.↗

DOE OSTI2021

Planning for Resilient Power Distribution Systems using Risk-Based Quantification and Q-Learning

Grid hardening is one of the most effective approaches that reduce the component failures and restoration efforts thus increasing the resilience of the power systems against extreme events. However, hardening and upgrading the entire system is prohibitively expensive and hence the optimal design of a distribution network is challenging. This paper adopted a reinforcement learning algorithm to identify the optimal hardening strategy to enhance the resilience of power distribution systems. Adopting the Q-learning algorithm as the reinforcement learning technique, we found the sequential optimal action for hardening measures to enhance the grid's resilience for the given budget. To identify the optimal strategy through Q-learning, Conditional Value at Risk (CVaR) is used as a rewarding metric. A study on the IEEE 123-bus test feeder validate the effectiveness of the proposed model and show how to effectively allocate budget limited resources to plan a resilient power distribution network.

Paul, Shuva↗

DOE OSTI2025

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

A self-learning disturbance observer for nonlinear systems in feedback-error learning scheme

Here this paper represents a novel online self-learning disturbance observer (SLDO) by benefiting from the combination of a type-2 neuro-fuzzy structure (T2NFS), feedback-error learning scheme and sliding mode control (SMC) theory. The SLDO is developed within a framework of feedback-error learning scheme in which a conventional estimation law and a T2NFS work in parallel. In this scheme, the latter learns uncertainties and becomes the leading estimator whereas the former provides the learning error to the T2NFS for learning system dynamics. A learning algorithm established on SMC theory is derived for an interval type-2 fuzzy logic system. In addition to the stability of the learning algorithm, the stability of the SLDO and the stability of the overall system are proven in the presence of time-varying disturbances. Thanks to learning process by the T2NFS, the simulation results show that the SLDO is able to estimate time-varying disturbances precisely as distinct from the basic nonlinear disturbance observer (BNDO) so that the controller based on the SLDO ensures robust control performance for systems with time-varying uncertainties, and maintains nominal performance in the absence of uncertainties.

42 ENGINEERING↗

DOE OSTI2024

Bridging Hydrological Ensemble Simulation and Learning Using Deep Neural Operators

Ensemble-based simulation and learning (ESnL) has long been used in hydrology for parameter inference, but computational demands of process-based ESnL can be quite high. To address this issue, we propose a deep neural operator learning approach. Neural operators are generic machine learning algorithms that can learn functional mappings between infinite-dimensional spaces, providing a highly flexible tool for scientific machine learning. Our approach is built upon DeepONet, a specific deep neural operator, and is designed to address several common problems in hydrology, namely, model parameter estimation, prediction at ungaged locations, and uncertainty quantification. Here we demonstrate the effectiveness of our DeepONet-based workflow using an existing large model ensemble created for an eastern U.S. watershed that is instrumented with 10 streamflow gages. Results suggest DeepONet achieves high efficiency in learning an ML surrogate model from the model ensemble, with the modified Kling-Gupta Efficiency exceeding 0.9 on holdout test sets. Parameter inference, carried out using the trained DeepONet surrogate model and genetic algorithm, also yields robust results. Additionally, we formulate and train a separate DeepONet model for physics-informed, seq-to-seq streamflow forecasting, which further reduces biases in the pre-trained DeepONet surrogate model. While this study focuses primarily on a single watershed, our approach is general and may be extended to enable learning from model ensembles across multiple basins or models. Thus, this research represents a significant contribution to the application of hybrid machine learning in hydrology.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Active Learning in the Era of Big Data

Active learning methods automatically adapt data collection by selecting the most informative samples in order to accelerate machine learning. Because of this, real-world testing and comparing active learning algorithms requires collecting new datasets (adaptively), rather than simply applying algorithms to benchmark datasets, as is the norm in (passive) machine learning research. To facilitate the development, testing and deployment of active learning for real applications, we have built an open-source software system for large-scale active learning research and experimentation. The system, called NEXT, provides a unique platform for realworld, reproducible active learning research. This paper details the challenges of building the system and demonstrates its capabilities with several experiments. The results show how experimentation can help expose strengths and weaknesses of active learning algorithms, in sometimes unexpected and enlightening ways.

Jamieson, Kevin↗

DOE OSTI2026

Ensemble Federated Machine Learning‐Based Cybersecurity Situational Awareness in Microgrid Network

Cyber-physical microgrids are vulnerable to stealthy cybersecurity threats that disguise their actions through the exploitation of system knowledge. Such actions can severely impacts microgrids deployed in defense bases, slowing the response time of military forces during national emergencies. Several machine-learning algorithms have been proposed to detect intrusions in the grid networks; however, these traditional machine-learning algorithms lack data privacy and are subject to several adversarial machine-learning threats. This paper proposes a novel federated machine learning (FML)-based three-model framework to detect and identify stealthy data-integrity attacks while ensuring data privacy in microgrid networks. The proposed architecture uses a variational mode decomposition technique to extract derived features from incoming measurement and control datasets. The extraction of these derived features allows FML models to learn minute variations in data patterns that allow them to perform significantly better than the models trained with generic datasets consisting of raw features. Our experimental results show the efficient performance of the proposed methodology against different types of data integrity attacks while considering primary and secondary controllers in microgrids. Further, the applied FML-integrated random forest ensemble algorithm outperforms the existing generic FML algorithms during noisy and noise-free datasets with prediction latencies of only 91–134 µs per sample within the 0.1 s sampling interval and requires communication bandwidth of around ∼8.25 KB/s at the control center and ∼2.7 KB/s per edge client for communication.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Software Defined Architectures for Data Analytics

Data analytics applications increasingly are complex workflows composed of phases with very different program behaviors (e.g., graph algorithms and machine learning, algorithms operating on sparse an dense data structures, etc). To reach the levels of efficiency required to process these workflows in real time, upcoming architectures will need to leverage even more workload specialization. If, at one end, we may find even more heterogenous processors composed by a myriad of specialized processing elements, at the other end we may see novel reconfigurable architectures, composed of sets of functional units and memories interconnected with (re)configurable on-chip networks, able to adapt dynamically to adapt the workload characteristics. Field Programmable Gate Arrays are more and more used for accelerating various workloads and, in particular, inferencing in machine learning, providing higher efficiency than other solutions. However, their fine grained nature still leads to issues for the design software and still makes dynamic reconfiguration impractical. Future, more coarse-grained architectures could offer the features to execute diverse workloads at high efficiency while providing better reconfiguration mechanisms for dynamic adaptability. Nevertheless, we argue that the challenges for reconfigurable computing remain in the software. In this position paper, we describe a possible toolchain for reconfigurable architectures targeted at data analytics.

FPGA, Dataflow, Reconfigurable Architectures, Soft↗

DOE OSTI2022

Correlative image learning of chemo-mechanics in phase-transforming solids

We report constitutive laws underlie most physical processes in nature. However, learning such equations in heterogeneous solids (for example, due to phase separation) is challenging. One such relationship is between composition and eigenstrain, which governs the chemo-mechanical expansion in solids. Here we developed a generalizable, physically constrained image-learning framework to algorithmically learn the chemo-mechanical constitutive law at the nanoscale from correlative four-dimensional scanning transmission electron microscopy and X-ray spectro-ptychography images. We demonstrated this approach on Li X FePO 4 , a technologically relevant battery positive electrode material. We uncovered the functional form of the composition–eigenstrain relation in this two-phase binary solid across the entire composition range (0 ≤ X ≤ 1), including inside the thermodynamically unstable miscibility gap. The learned relation directly validates Vegard’s law of linear response at the nanoscale. Our physics-constrained data-driven approach directly visualizes the residual strain field (by removing the compositional and coherency strain), which is otherwise impossible to quantify. Heterogeneities in the residual strain arise from misfit dislocations and were independently verified by X-ray diffraction line profile analysis. Our work provides the means to simultaneously quantify chemical expansion, coherency strain and dislocations in battery electrodes, which has implications on rate capabilities and lifetime. Broadly, this work also highlights the potential of integrating correlative microscopy and image learning for extracting material properties and physics.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Decentralised demand response market model based on reinforcement learning

A new decentralised demand response (DR) model relying on bi‐directional communications is developed in this study. In this model, each user is considered as an agent that submits its bids according to the consumption urgency and a set of parameters defined by a reinforcement learning algorithm called Q‐learning. The bids are sent to a local DR market, which is responsible for communicating all bids to the wholesale market and the system operator (SO), reporting to the customers after determining the local DR market clearing price. From local markets’ viewpoint, the goal is to maximise social welfare. Four DR levels are considered to evaluate the effect of different DR portions in the cost of the electricity purchase. The outcomes are compared with the ones achieved from a centralised approach (aggregation‐based model) as well as an uncontrolled method. Numerical studies prove that the proposed decentralised model remarkably drops the electricity cost compare to the uncontrolled method, being nearly as optimal as a centralised approach.

Shafie‐Khah, Miadreza↗

DOE OSTI2023

Statistical Learning for Nonlinear Model Reduction from Local Simulations of Stochastic and Particle- and Agent-Based Systems

Stochastic physical systems across the sciences that have very high-dimensional state spaces, with a large number of fast degrees of freedom that force direct simulators to proceed by integration steps that are orders of magnitude smaller than events of interests (e.g., particle collisions). Examples range from molecular motion to dynamics of large populations of cells. A grand challenge in the simulation and understanding of such systems is the systematic construction of accurate, interpretable, reduced models, enabling faster simulations, revealing fundamental properties of the dynamics, and predicting phenomena of interest that the original simulator could not reached with sufficient accuracy or within a given computational budget. In this projected we developed novel statistical estimation/machine learning techniques for analyzing and building empirical reduced models for important families of high-dimensional stochastic systems, in particular: - we developed techniques for estimating interaction kernels in interacting particle- and agent-based systems, which are ubiquitous in Physics, Biology and many other sciences, given observed trajectories of the system; - we developed techniques for nonlinear model reduction for high-dimensional stochastic systems that have a small number of unknown, nonlinear slow variables, and a large number of fast modes, that are possibly of large magnitude, given observed short trajectories of the system in the form of bursts of trajectories from different initial conditions; - we developed novel techniques for estimating linear dynamical systems on graphs when both the dynamics and the underlying graph are unknown, and we have a sparse set of space-time observations; - we considered the problem of estimating an unknown nonlinear observation function of a standard process (e.g. Brownian motion), so that we can recognized if an observed dynamics is "just" a nonlinear version of a known dynamics; we also developed benchmarks for learning algorithms aimed at learning and classifying diffusion processes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Application of an automated machine learning-genetic algorithm (AutoML-GA) coupled with computational fluid dynamics simulations for rapid engine design optimization

In recent years, the use of machine learning-based surrogate models for computational fluid dynamics (CFD) simulations has emerged as a promising technique for reducing the computational cost associated with engine design optimization. However, such methods still suffer from drawbacks. One main disadvantage is that the default machine learning (ML) hyperparameters are often severely suboptimal for a given problem. This has often been addressed by manually trying out different hyperparameter settings, but this solution is ineffective in case of a high-dimensional hyperparameter space. Besides this problem, the amount of data needed for training is also not known a priori. In response to these issues that need to be addressed, the present work describes and validates an automated active learning approach, AutoML-GA, for surrogate-based optimization of internal combustion engines. In this approach, a Bayesian optimization technique is used to find the best machine learning hyperparameters based on an initial dataset obtained from a small number of CFD simulations. Subsequently, a genetic algorithm is employed to locate the design optimum on the ML surrogate surface. In the vicinity of the design optimum, the solution is refined by repeatedly running CFD simulations at the projected optima and adding the newly obtained data to the training dataset. It is demonstrated that AutoML-GA leads to a better optimum with a lower number of CFD simulations, compared to the use of default hyperparameters. The proposed framework offers the advantage of being a more hands-off approach that can be readily utilized by researchers and engineers in industry who do not have extensive machine learning expertise.

Owoyele, Opeoluwa↗

DOE OSTI2018

First- and Second-Order Methods for Online Convolutional Dictionary Learning

Convolutional sparse representations are a form of sparse representation with a structured, translation-invariant dictionary. Most convolutional dictionary learning algorithms to date operate in batch mode, requiring simultaneous access to all training images during the learning process, which results in very high memory usage and severely limits the training data size that can be used. Very recently, however, a number of authors have considered the design of online convolutional dictionary learning algorithms that offer far better scaling of memory and computational cost with training set size than batch methods. This study extends our prior work, improving a number of aspects of our previous algorithm; proposing an entirely new one, with better performance, that supports the inclusion of a spatial mask for learning from incomplete data; and providing a rigorous theoretical analysis of these methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

The HEP.TrkX Project: deep neural networks for HL-LHC online and offline tracking

Particle track reconstruction in dense environments such as the detectors of the High Luminosity Large Hadron Collider (HL-LHC) is a challenging pattern recognition problem. Traditional tracking algorithms such as the combinatorial Kalman Filter have been used with great success in LHC experiments for years. However, these state-of-the-art techniques are inherently sequential and scale poorly with the expected increases in detector occupancy in the HL-LHC conditions. The HEP.TrkX project is a pilot project with the aim to identify and develop cross-experiment solutions based on machine learning algorithms for track reconstruction. Machine learning algorithms bring a lot of potential to this problem thanks to their capability to model complex non-linear data dependencies, to learn effective representations of high-dimensional data through training, and to parallelize easily on high-throughput architectures such as GPUs. This contribution will describe our initial explorations into this relatively unexplored idea space. Furthermore, we will discuss the use of recurrent (LSTM) and convolutional neural networks to find and fit tracks in toy detector data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗