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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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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

DOC-DICAM: Domain Aware One Class Defect Identification in Composite Aerostructure Material

Fiber-reinforced composites are a common material used in the design of aircraft structures due to their good tensile strength and resistance to compression. During the manufacturing process, these structures are thoroughly inspected for flaws and defects to ensure structural integrity during commercial use. Non-destructive testing (NDT) is a collection of inspection methods that allow inspectors to evaluate material without altering it. Due to the high safety standards in aerospace manufacturing, the NDT process is done manually and can be a significant bottleneck in the development workflow. In this paper, we develop an AI-based assistance tool to drastically reduce inspection time. Typical AI workflows require large amounts of annotated data, but defects rarely occur resulting in strong class imbalance. To overcome this, we formulate the problem of defect identification as an anomaly detection task in which our primary focus is learning non-defect characteristics. To do this, we develop a multi-task self-supervised learning framework that embeds problem specific domain knowledge into the deep learning model. We verify our method using fuselage data generated in a production environment. As a result, we show that our method can effectively identify defects and requires minimal training and inference time.

anomaly detection↗
DOE OSTI2022

Unsupervised, supervised and reinforced learning via spiking computation

The present invention relates to unsupervised, supervised and reinforced learning via spiking computation. The neural network comprises a plurality of neural modules. Each neural module comprises multiple digital neurons such that each neuron in a neural module has a corresponding neuron in another neural module. An interconnection network comprising a plurality of edges interconnects the plurality of neural modules. Each edge interconnects a first neural module to a second neural module, and each edge comprises a weighted synaptic connection between every neuron in the first neural module and a corresponding neuron in the second neural module.

Modha, Dharmendra S.↗
DOE OSTI2024

Hamiltonian learning using machine-learning models trained with continuous measurements

Here, we build upon recent work on the use of machine-learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning, where the weak-measurement training record can be labeled with known Hamiltonian parameters, and (2) unsupervised learning, where no labels are available. The first has the advantage of not requiring an explicit representation of the quantum state, thus potentially scaling very favorably to a larger number of qubits. The second requires the implementation of a physical model to map the Hamiltonian parameters to a measurement record, which we implement using an integrator of the physical model with a recurrent neural network to provide a model-free correction at every time step to account for small effects not captured by the physical model. We test our construction on a system of two qubits and demonstrate accurate prediction of multiple physical parameters in both the supervised context and the unsupervised context. We demonstrate that the model benefits from larger training sets, establishing that it is “learning,” and we show robustness regarding errors in the assumed physical model by achieving accurate parameter estimation in the presence of unanticipated single-particle relaxation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Boosting Barlow Twins Reduced Order Modeling for Machine Learning‐Based Surrogate Models in Multiphase Flow Problems

Abstract We present an innovative approach called boosting Barlow Twins reduced order modeling (BBT‐ROM) to enhance the reliability of machine learning surrogate models for multiphase flow problems. BBT‐ROM builds upon Barlow Twins reduced order modeling that leverages self‐supervised learning to effectively handle linear and nonlinear manifolds by constructing well‐structured latent spaces of input parameters and output quantities. To address the challenge of high contrast data in multiphase flow problems due to injection wells and faults, we employ a boosting algorithm within BBT‐ROM. This algorithm sequentially trains a set of weak models (i.e., inaccurate models), improving prediction accuracy through ensemble learning. To evaluate the performance of BBT‐ROM, we conduct three three‐dimensional multiphase flow problems, including waterflooding and geologic carbon storage (GCS), with varying numbers of input parameter cases and model domain features. The results demonstrate that BBT‐ROM excels at predicting non‐wetting phase saturation (e.g., oil or saturation) and fluid pressure, with average relative errors ranging from 0.5% to 3%. Importantly, BBT‐ROM showcases robustness when faced with limited input parameter space during GCS testing.

58 GEOSCIENCES↗
DOE OSTI2023

Hyperparameter Optimization and Feature Inclusion in Graph Neural Networks for Spiking Implementation

Graph convolutional networks leverage both graph structures and features on nodes and edges for improved learning performance in comparison with classical machine learning approaches. Spiking neuromorphic computers natively implement network-like computation and have been shown to be successful at implementing graph learning without features. Incorporating graph features brings the challenge of efficient feature representation and balancing the contribution of topology and features in learning. In this work, we present our design of a simulated network of spiking neurons to perform semi-supervised learning on graph data using both the graph structure and the node features. We explore various design choices, present preliminary results, and discuss the opportunities for using neuromorphic computers for this task in the future.

Cong, Guojing↗
DOE OSTI2025

The role of chromatin state in intron retention: A case study in leveraging large scale deep learning models

Complex deep learning models trained on very large datasets have become key enabling tools for current research in natural language processing and computer vision. By providing pre-trained models that can be fine-tuned for specific applications, they enable researchers to create accurate models with minimal effort and computational resources. Large scale genomics deep learning models come in two flavors: the first are large language models of DNA sequences trained in a self-supervised fashion, similar to the corresponding natural language models; the second are supervised learning models that leverage large scale genomics datasets from ENCODE and other sources. We argue that these models are the equivalent of foundation models in natural language processing in their utility, as they encode within them chromatin state in its different aspects, providing useful representations that allow quick deployment of accurate models of gene regulation. We demonstrate this premise by leveraging the recently created Sei model to develop simple, interpretable models of intron retention, and demonstrate their advantage over models based on the DNA language model DNABERT-2. Our work also demonstrates the impact of chromatin state on the regulation of intron retention. Using representations learned by Sei, our model is able to discover the involvement of transcription factors and chromatin marks in regulating intron retention, providing better accuracy than a recently published custom model developed for this purpose.

Biochemistry & Molecular Biology↗
DOE OSTI2022

A differentiable approach to the maximum independent set problem using dataless neural networks

The success of machine learning solutions for reasoning about discrete structures has brought attention to its adoption within combinatorial optimization algorithms. Such approaches generally rely on supervised learning by leveraging datasets of the combinatorial structures of interest drawn from some distribution of problem instances. Reinforcement learning has also been employed to find such structures. Here, in this paper, we propose a different approach in that no data is required for training the neural networks that produce the solution. In this sense, what we present is not a machine learning solution, but rather one that is dependent on neural networks and where backpropagation is applied to a loss function defined by the structure of the neural network architecture as opposed to a training dataset. In particular, we reduce the popular combinatorial optimization problem of finding a maximum independent set to a neural network and employ a dataless training scheme to refine the parameters of the network such that those parameters yield the structure of interest. Additionally, we propose a universal graph reduction procedure to handle large-scale graphs. The reduction exploits community detection for graph partitioning and is applicable to any graph type and/or density. Experimental results on both real and synthetic graphs demonstrate that our proposed method performs on par or outperforms state-of-the-art learning-based methods in terms of the size of the found set without requiring any training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Distributed fiber sensor and machine learning data analytics for pipeline protection against extrinsic intrusions and intrinsic corrosions

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.

Peng, Zhaoqiang↗
DOE OSTI2022

Optimizing Earthquake Nowcasting With Machine Learning: The Role of Strain Hardening in the Earthquake Cycle

Abstract Nowcasting is a term originating from economics, finance, and meteorology. It refers to the process of determining the uncertain state of the economy, markets or the weather at the current time by indirect means. In this paper, we describe a simple two‐parameter data analysis that reveals hidden order in otherwise seemingly chaotic earthquake seismicity. One of these parameters relates to a mechanism of seismic quiescence arising from the physics of strain‐hardening of the crust prior to major events. We observe an earthquake cycle associated with major earthquakes in California, similar to what has long been postulated. An estimate of the earthquake hazard revealed by this state variable time series can be optimized by the use of machine learning in the form of the Receiver Operating Characteristic skill score. The ROC skill is used here as a loss function in a supervised learning mode. Our analysis is conducted in the region of 5° × 5° in latitude‐longitude centered on Los Angeles, a region which we used in previous papers to build similar time series using more involved methods (Rundle & Donnellan, 2020, https://doi.org/10.1029/2020EA001097 ; Rundle, Donnellan et al., 2021, https://doi.org/10.1029/2021EA001757 ; Rundle, Stein et al., 2021, https://doi.org/10.1088/1361-6633/abf893 ). Here we show that not only does the state variable time series have forecast skill, the associated spatial probability densities have skill as well. In addition, use of the standard ROC and Precision (PPV) metrics allow probabilities of current earthquake hazard to be defined in a simple, straightforward, and rigorous way.

58 GEOSCIENCES↗
DOE OSTI2022

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗
DOE OSTI2021

ClimateNet: an expert-labeled open dataset and deep learning architecture for enabling high-precision analyses of extreme weather

Abstract. Identifying, detecting, and localizing extreme weather events is a crucial first step in understanding how they may vary under different climate change scenarios. Pattern recognition tasks such as classification, object detection, and segmentation (i.e., pixel-level classification) have remained challenging problems in the weather and climate sciences. While there exist many empirical heuristics for detecting extreme events, the disparities between the output of these different methods even for a single event are large and often difficult to reconcile. Given the success of deep learning (DL) in tackling similar problems in computer vision, we advocate a DL-based approach. DL, however, works best in the context of supervised learning – when labeled datasets are readily available. Reliable labeled training data for extreme weather and climate events is scarce. We create “ClimateNet” – an open, community-sourced human-expert-labeled curated dataset that captures tropical cyclones (TCs) and atmospheric rivers (ARs) in high-resolution climate model output from a simulation of a recent historical period. We use the curated ClimateNet dataset to train a state-of-the-art DL model for pixel-level identification – i.e., segmentation – of TCs and ARs. We then apply the trained DL model to historical and climate change scenarios simulated by the Community Atmospheric Model (CAM5.1) and show that the DL model accurately segments the data into TCs, ARs, or “the background” at a pixel level. Further, we show how the segmentation results can be used to conduct spatially and temporally precise analytics by quantifying distributions of extreme precipitation conditioned on event types (TC or AR) at regional scales. The key contribution of this work is that it paves the way for DL-based automated, high-fidelity, and highly precise analytics of climate data using a curated expert-labeled dataset – ClimateNet. ClimateNet and the DL-based segmentation method provide several unique capabilities: (i) they can be used to calculate a variety of TC and AR statistics at a fine-grained level; (ii) they can be applied to different climate scenarios and different datasets without tuning as they do not rely on threshold conditions; and (iii) the proposed DL method is suitable for rapidly analyzing large amounts of climate model output. While our study has been conducted for two important extreme weather patterns (TCs and ARs) in simulation datasets, we believe that this methodology can be applied to a much broader class of patterns and applied to observational and reanalysis data products via transfer learning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Improved particle-flow event reconstruction with scalable neural networks for current and future particle detectors

Abstract Efficient and accurate algorithms are necessary to reconstruct particles in the highly granular detectors anticipated at the High-Luminosity Large Hadron Collider and the Future Circular Collider. We study scalable machine learning models for event reconstruction in electron-positron collisions based on a full detector simulation. Particle-flow reconstruction can be formulated as a supervised learning task using tracks and calorimeter clusters. We compare a graph neural network and kernel-based transformer and demonstrate that we can avoid quadratic operations while achieving realistic reconstruction. We show that hyperparameter tuning significantly improves the performance of the models. The best graph neural network model shows improvement in the jet transverse momentum resolution by up to 50% compared to the rule-based algorithm. The resulting model is portable across Nvidia, AMD and Habana hardware. Accurate and fast machine-learning based reconstruction can significantly improve future measurements at colliders.

Physics↗
DOE OSTI2025

Learning to classify quantum phases of matter with a few measurements

We study the identification of quantum phases of matter, at zero temperature, when only part of the phase diagram is known in advance. Following a supervised learning approach, we show how to use our previous knowledge to construct an observable capable of classifying the phase even in the unknown region. By using a combination of classical and quantum techniques, such as tensor networks, kernel methods, generalization bounds, quantum algorithms, and shadow estimators, we show that, in some cases, the certification of new ground states can be obtained with a polynomial number of measurements. An important application of our findings is the classification of the phases of matter obtained in quantum simulators, e.g. cold atom experiments, capable of efficiently preparing ground states of complex many-particle systems and applying simple measurements, e.g. single qubit measurements, but unable to perform a universal set of gates.

quantum machine learning↗
DOE OSTI2020

Sampling Subjective Polygons for Patch-Based Deep Learning Land-Use Classification in Satellite Images

Model generalization remains a key challenge in the analysis of large amounts of heterogeneous satellite image data. One major limiting factor in developing generalizable models, in the context of supervised learning, is the lack of high quality training datasets. A model's capacity to perform well on new data is often inhibited by imbalance and bias in the data that was used for training. This is especially a problem when using convolutional neural networks to classify urban land-use in satellite images. Notable dataset imbalance issues in this application include land-use type imbalance and image scene imbalance. To begin understanding these dataset imbalance problems in more detail, we develop and test a number of sampling methods for generating training image datasets from subjective training polygons for urban land-use classification. We investigate sampling at different point densities as a means to reduce content repetition and therefore content imbalance and bias in the training image dataset.

Arndt, Jacob↗
DOE OSTI2022

Machine Learning for Slow Spill Regulation in the Fermilab Delivery Ring for Mu2e

A third-integer resonant slow extraction system is being developed for the Fermilab’s Delivery Ring to deliver protons to the Mu2e experiment. During a slow extraction process, the beam on target is liable to experience small intensity variations due to many factors. Owing to the experiment’s strict requirements in the quality of the spill, a Spill Regulation System (SRS) is currently under design. The SRS primarily consists of three components - slow regulation, fast regulation, and harmonic content tracker. In this presentation, we shall present the investigations of using Machine Learning (ML) in the fast regulation system, including further optimizations of PID controller gains for the fast regulation, prospects of an ML agent completely replacing the PID controller using supervised learning schemes such as Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU) ML models, the simulated impact and limitation of machine response characteristics on the effectiveness of both PID and ML regulation of the spill. We also present here nascent results of Reinforcement Learning efforts, including continuous-action soft actor-critic methods, to regulate the spill rate.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Challenges and Opportunities in Deep Reinforcement Learning With Graph Neural Networks: A Comprehensive Review of Algorithms and Applications

Deep reinforcement learning (DRL) has empowered a variety of artificial intelligence fields, including pattern recognition, robotics, recommendation-systems, and gaming. Similarly, graph neural networks (GNN) have also demonstrated their superior performance in supervised learning for graph-structured data. In recent times, the fusion of GNN with DRL for graph-structured environments has attracted a lot of attention. Here, this paper provides a comprehensive review of these hybrid works. These works can be classified into two categories: (1) algorithmic enhancement, where DRL and GNN complement each other for better utility; (2) application-specific enhancement, where DRL and GNN support each other. This fusion effectively addresses various complex problems in engineering and life sciences. Based on the review, we further analyze the applicability and benefits of fusing these two domains, especially in terms of increasing generalizability and reducing computational complexity. Finally, the key challenges in integrating DRL and GNN, and potential future research directions are highlighted, which will be of interest to the broader machine learning community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

General-Purpose Unsupervised Cyber Anomaly Detection via Non-Negative Tensor Factorization

Distinguishing malicious anomalous activities from unusual but benign activities is a fundamental challenge for cyber defenders. Prior studies have shown that statistical user behavior analysis yields accurate detections by learning behavior profiles from observed user activity. These unsupervised models are able to generalize to unseen types of attacks by detecting deviations from normal behavior, without knowledge of specific attack signatures. However, approaches proposed to date based on probabilistic matrix factorization are limited by the information conveyed in a two-dimensional space. Non-negative tensor factorization, on the other hand, is a powerful unsupervised machine learning method that naturally models multi-dimensional data, capturing complex and multi-faceted details of behavior profiles. Herein, our new unsupervised statistical anomaly detection methodology matches or surpasses state-of-the-art supervised learning baselines across several challenging and diverse cyber application areas, including detection of compromised user credentials, botnets, spam e-mails, and fraudulent credit card transactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials

Accurate molecular property predictions require 3D geometries, which are typically obtained using expensive methods such as density functional theory (DFT). Here, we attempt to obtain molecular geometries by relying solely on machine learning interatomic potential (MLIP) models. To this end, we first curate a large-scale molecular relaxation dataset comprising 3.5 million molecules and 300 million snapshots. Then MLIP pre-trained models are trained with supervised learning to predict energy and forces given 3D molecular structures. Once trained, we show that the pre-trained models can be used in different ways to obtain geometries either explicitly or implicitly. First, it can be used to obtain approximate low-energy 3D geometries via geometry optimization. While these geometries do not consistently reach DFT-level chemical accuracy or convergence, they can still improve downstream performance compared to non-relaxed structures. To mitigate potential biases and enhance downstream predictions, we introduce geometry fine-tuning based on the relaxed 3D geometries. Second, the pre-trained models can be directly fine-tuned for property prediction when ground truth 3D geometries are available. Our results demonstrate that MLIP pre-trained models trained on relaxation data can learn transferable molecular representations to improve downstream molecular property prediction and can provide practically valuable but approximate molecular geometries that benefit property predictions. Our code is publicly available at: https://github.com/divelab/AIRS/.

Fu, Cong [Texas A & M Univ., College Station, TX (↗