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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reduced order modeling for flow and transport problems with Barlow Twins self-supervised learning

Abstract We propose a unified data-driven reduced order model (ROM) that bridges the performance gap between linear and nonlinear manifold approaches. Deep learning ROM (DL-ROM) using deep-convolutional autoencoders (DC–AE) has been shown to capture nonlinear solution manifolds but fails to perform adequately when linear subspace approaches such as proper orthogonal decomposition (POD) would be optimal. Besides, most DL-ROM models rely on convolutional layers, which might limit its application to only a structured mesh. The proposed framework in this study relies on the combination of an autoencoder (AE) and Barlow Twins (BT) self-supervised learning, where BT maximizes the information content of the embedding with the latent space through a joint embedding architecture. Through a series of benchmark problems of natural convection in porous media, BT–AE performs better than the previous DL-ROM framework by providing comparable results to POD-based approaches for problems where the solution lies within a linear subspace as well as DL-ROM autoencoder-based techniques where the solution lies on a nonlinear manifold; consequently, bridges the gap between linear and nonlinear reduced manifolds. We illustrate that a proficient construction of the latent space is key to achieving these results, enabling us to map these latent spaces using regression models. The proposed framework achieves a relative error of 2% on average and 12% in the worst-case scenario (i.e., the training data is small, but the parameter space is large.). We also show that our framework provides a speed-up of $$7 \times 10^{6}$$ 7 × 10 6 times, in the best case, and $$7 \times 10^{3}$$ 7 × 10 3 times on average compared to a finite element solver. Furthermore, this BT–AE framework can operate on unstructured meshes, which provides flexibility in its application to standard numerical solvers, on-site measurements, experimental data, or a combination of these sources.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Predicting Airport Runway Configurations for Decision-Support Using Supervised Learning

One of the most challenging tasks for air traffic controllers is runway configuration management (RCM). It deals with the optimal selection of runways to operate on (for arrivals and departures) based on traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. It affects the efficiency of the National Airspace System (NAS) and both surface and airspace operations can benefit from better understanding future runway configurations. In this paper, we present a comprehensive implementation of predictive models for runway configuration estimation from large volumes of historical data. Specifically, operational data from two full years (2018 and 2019) is collected, analyzed, and fused together to build the data product used in this work. The data set differs from prior work in the field in terms of its scope, resolution, and variety of factors collected and considered. Meteorological data is collected from two different sources – current weather conditions from METAR (Meteorological Terminal Aviation Routine Weather Report) and forecast weather conditions from Localized Aviation MOS Program (LAMP). Operational data from the Federal Aviation Administration (FAA) Aviation System Performance Metrics (ASPM) related to scheduled and actual number of arrivals and departures, average taxi times, etc. are collected. NASA’s Sherlock Data Warehouse is used to identify critical information such as go-arounds, and other events that might impact RCM decision-making. All data is collected and aggregated over 15-minute intervals throughout the two years. This provides a resolution like the timescales that might be necessary for runway configuration management decision-making. A variety of supervised learning algorithms are tested including Support Vector Machine, Random Forest, Gradient Boosting, etc. including tuning of the model hyperparameters. The modeling process is applied and presented on two representative U.S. airports – Charlotte Douglas International Airport (KCLT) and Denver International Airport (KDEN). The two airports present different levels of complexity in terms of the total number of configurations used and provide a balanced perspective on the generalizability of the developed approach to other airports in the NAS. Initial results are promising (F1 score of 0.91 at KCLT and 0.83 at KDEN) for data in the test set. The final paper will contain a comprehensive comparison between different models and model building strategies as well as further refined results. Most important predictors for each airport will be identified along with a discussion and recommendations on adapting the framework to other scenarios.

Tejas G Puranik↗
DOE OSTI2014

Automated Detection of Microaneurysms Using Scale-Adapted Blob Analysis and Semi-Supervised Learning

Despite several attempts, automated detection of microaneurysm (MA) from digital fundus images still remains to be an open issue. This is due to the subtle nature of MAs against the surrounding tissues. In this paper, the microaneurysm detection problem is modeled as finding interest regions or blobs from an image and an automatic local-scale selection technique is presented. Several scale-adapted region descriptors are then introduced to characterize these blob regions. A semi-supervised based learning approach, which requires few manually annotated learning examples, is also proposed to train a classifier to detect true MAs. The developed system is built using only few manually labeled and a large number of unlabeled retinal color fundus images. The performance of the overall system is evaluated on Retinopathy Online Challenge (ROC) competition database. A competition performance measure (CPM) of 0.364 shows the competitiveness of the proposed system against state-of-the art techniques as well as the applicability of the proposed features to analyze fundus images.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Self-supervised learning of spatiotemporal thermal signatures in additive manufacturing using reduced order physics models and transformers

Microstructure control via additive manufacturing has enormous potential as manufacturers, materials scientists, and designers alike seek to exploit novel fabrication technologies to improve component performance. Recent works have demonstrated the feasibility of producing materials with controlled microstructures across various length scales. However, the experimental approach towards exploring the process-structure space can be laborious and costly. This is particularly true if also considering scan pattern optimization which is well suited for processes such as powder bed fusion electron beam melting. In this work we propose an approach for encoding additive manufacturing layer-wise thermal response signatures using self-supervised representation learning. Thermal simulations from a reduced order model are utilized to estimate the spatiotemporal response during printing. A machine learning framework, using video-transformers, is utilized to efficiently distill spatiotemporal patterns into a compact latent space representation. This latent state representation encodes the relevant physics which is then utilized to establish a data-driven process-structure model for an additively manufactured Ni-based superalloy. In conclusion, the proposed methodology could potentially be used towards in-situ process monitoring, scan pattern experimental design, and component qualification.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Inferring topological transitions in pattern-forming processes with self-supervised learning

Abstract The identification of transitions in pattern-forming processes are critical to understand and fabricate microstructurally precise materials in many application domains. While supervised methods can be useful to identify transition regimes, they need labels, which require prior knowledge of order parameters or relevant microstructures describing these transitions. Instead, we develop a self-supervised, neural-network-based approach that does not require predefined labels about microstructure classes to predict process parameters from observed microstructures. We show that assessing the difficulty of solving this inverse problem can be used to uncover microstructural transitions. We demonstrate our approach by automatically discovering microstructural transitions in two distinct pattern-forming processes: the spinodal decomposition of a two-phase mixture and the formation of binary-alloy microstructures during physical vapor deposition of thin films. This approach opens a path forward for discovering unseen or hard-to-discern transitions and ultimately controlling complex pattern-forming processes.

Abram, Marcin↗
DOE OSTI2023

Integrating chromatin conformation information in a self-supervised learning model improves metagenome binning

Metagenome binning is a key step, downstream of metagenome assembly, to group scaffolds by their genome of origin. Although accurate binning has been achieved on datasets containing multiple samples from the same community, the completeness of binning is often low in datasets with a small number of samples due to a lack of robust species co-abundance information. In this study, we exploited the chromatin conformation information obtained from Hi-C sequencing and developed a new reference-independent algorithm, Metagenome Binning with Abundance and Tetra-nucleotide frequencies—Long Range (metaBAT-LR), to improve the binning completeness of these datasets. This self-supervised algorithm builds a model from a set of high-quality genome bins to predict scaffold pairs that are likely to be derived from the same genome. Then, it applies these predictions to merge incomplete genome bins, as well as recruit unbinned scaffolds. We validated metaBAT-LR’s ability to bin-merge and recruit scaffolds on both synthetic and real-world metagenome datasets of varying complexity. Benchmarking against similar software tools suggests that metaBAT-LR uncovers unique bins that were missed by all other methods.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Developing Natural Language Processing and Supervised Learning Techniques to Classify Mars Tasks

As NASA's Human Research Program (HRP) prepares for long-duration Mars missions, understanding astronaut tasks is crucial. This study, conducted at NASA Glenn Research Center (GRC), employed Natural Language Processing (NLP) and machine learning techniques to analyze and classify Mars tasks. A list of 1,058 Mars tasks was provided by HRP experts including binary labeling of 18 Human System Task Categories (HSTCs). We developed an NLP model using Google's BERT language model to capture the semantic and syntactic nuances of these tasks. Supervised training was initially applied to a subset of the NLP-analyzed tasks to assess the model's effectiveness in classifying the remaining tasks. Incorporating HSTC descriptions significantly enhanced the classification accuracy for 9 out of the 18 HSTCs and reduced training time. To address the issue of severe class imbalance in the HSTC data, we introduced innovative weighting and sampling techniques for data augmentation. We then fine-tune BERT to implement a pairwise relatedness scoring method, allowing us to cluster tasks based on their relatedness and similarity, getting a step closer to labeling the tasks without supervision. In this presentation we guide you through data preprocessing, deciphering key syntax components using BERT, and performing supervised classification of the Mars tasks. This work showcases the potential use of advanced NLP techniques to analyze Mars missions to be incorporated into various crew health and performance analyses.

GenAI↗
DOE OSTI2024

A semi-supervised learning method to produce explainable radioisotope proportion estimates for NaI-based synthetic and measured gamma spectra

Quantifying the radioactive sources present in gamma spectra is an ever-present and growing national security mission and a time-consuming process for human analysts. While machine learning models exist that are trained to estimate radioisotope proportions in gamma spectra, few address the eventual need to provide explanatory outputs beyond the estimation task. In this work, we develop two machine learning models for a NaI detector measurements: one to perform the estimation task, and the other to characterize the first model’s ability to provide reasonable estimates. To ensure the first model exhibits a behavior that can be characterized by the second model, the first model is trained using a custom, semi-supervised loss function which constrains proportion estimates to be explainable in terms of a spectral reconstruction. The second auxiliary model is an out-of-distribution detection function (a type of meta-model) leveraging the proportion estimates of the first model to identify when a spectrum is sufficiently unique from the training domain and thus is out-of-scope for the model. In demonstrating the efficacy of this approach, we encourage the use of meta-models to better explain ML outputs used in radiation detection and increase trust.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Semi-supervised Learning of Dynamical Systems with Neural Ordinary Differential Equations: A Teacher-Student Model Approach

Modeling dynamical systems is crucial for a wide range of tasks, but it remains challenging due to complex nonlinear dynamics, limited observations, or lack of prior knowledge. Recently, data-driven approaches such as Neural Ordinary Differential Equations (NODE) have shown promising results by leveraging the expressive power of neural networks to model unknown dynamics. However, these approaches often suffer from limited labeled training data, leading to poor generalization and suboptimal predictions. On the other hand, semi-supervised algorithms can utilize abundant unlabeled data and have demonstrated good performance in classification and regression tasks. We propose TS-NODE, the first semi-supervised approach to modeling dynamical systems with NODE. TS-NODE explores cheaply generated synthetic pseudo rollouts to broaden exploration in the state space and to tackle the challenges brought by lack of ground-truth system data under a teacher-student model. TS-NODE employs an unified optimization framework that corrects the teacher model based on the student's feedback while mitigating the potential false system dynamics present in pseudo rollouts. TS-NODE demonstrates significant performance improvements over a baseline Neural ODE model on multiple dynamical system modeling tasks.

Wang, Yu↗
DOE OSTI2022

Supervised learning of a chemistry functional with damped dispersion

Abstract Kohn–Sham density functional theory is widely used in chemistry, but no functional can accurately predict the whole range of chemical properties, although recent progress by some doubly hybrid functionals comes close. Here, we optimized a singly hybrid functional called CF22D with higher across-the-board accuracy for chemistry than most of the existing non-doubly hybrid functionals by using a flexible functional form that combines a global hybrid meta-nonseparable gradient approximation that depends on density and occupied orbitals with a damped dispersion term that depends on geometry. We optimized this energy functional by using a large database and performance-triggered iterative supervised training. We combined several databases to create a very large, combined database whose use demonstrated the good performance of CF22D on barrier heights, isomerization energies, thermochemistry, noncovalent interactions, radical and nonradical chemistry, small and large systems, simple and complex systems and transition-metal chemistry.

Liu, Yiwei (ORCID:0000000288126163)↗
DOE OSTI2016

Photometric classification of type Ia supernovae in the SuperNova Legacy Survey with supervised learning

In the era of large astronomical surveys, photometric classification of supernovae (SNe) has become an important research field due to limited spectroscopic resources for candidate follow-up and classification. In this work, we present a method to photometrically classify type Ia supernovae based on machine learning with redshifts that are derived from the SN light-curves. This method is implemented on real data from the SNLS deferred pipeline, a purely photometric pipeline that identifies SNe Ia at high-redshifts (0.2 < z < 1.1). Our method consists of two stages: feature extraction (obtaining the SN redshift from photometry and estimating light-curve shape parameters) and machine learning classification. We study the performance of different algorithms such as Random Forest and Boosted Decision Trees. We evaluate the performance using SN simulations and real data from the first 3 years of the Supernova Legacy Survey (SNLS), which contains large spectroscopically and photometrically classified type Ia samples. Using the Area Under the Curve (AUC) metric, where perfect classification is given by 1, we find that our best-performing classifier (Extreme Gradient Boosting Decision Tree) has an AUC of 0.98.We show that it is possible to obtain a large photometrically selected type Ia SN sample with an estimated contamination of less than 5%. When applied to data from the first three years of SNLS, we obtain 529 events. We investigate the differences between classifying simulated SNe, and real SN survey data. In particular, we find that applying a thorough set of selection cuts to the SN sample is essential for good classification. This work demonstrates for the first time the feasibility of machine learning classification in a high- z SN survey with application to real SN data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Supervised learning with word embeddings derived from PubMed captures latent knowledge about protein kinases and cancer

Abstract Inhibiting protein kinases (PKs) that cause cancers has been an important topic in cancer therapy for years. So far, almost 8% of >530 PKs have been targeted by FDA-approved medications, and around 150 protein kinase inhibitors (PKIs) have been tested in clinical trials. We present an approach based on natural language processing and machine learning to investigate the relations between PKs and cancers, predicting PKs whose inhibition would be efficacious to treat a certain cancer. Our approach represents PKs and cancers as semantically meaningful 100-dimensional vectors based on word and concept neighborhoods in PubMed abstracts. We use information about phase I-IV trials in ClinicalTrials.gov to construct a training set for random forest classification. Our results with historical data show that associations between PKs and specific cancers can be predicted years in advance with good accuracy. Our tool can be used to predict the relevance of inhibiting PKs for specific cancers and to support the design of well-focused clinical trials to discover novel PKIs for cancer therapy.

59 BASIC BIOLOGICAL SCIENCES↗