Search NASA⌕ Search

SEARCH · Search NASA

Results for “supervised learning”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Chaconne: A Statistical Approach to Nonlocal Compression for Supervised Learning, Semi-Supervised Learning, and Anomaly Detection

This project developed a novel statistical understanding of compression analytics (CA), which has challenged and clarified some core assumptions about CA, and enabled the development of novel techniques that address vital challenges of national security. Specifically, this project has yielded the development of novel capabilities including 1. Principled metrics for model selection in CA, 2. Techniques for deriving/applying optimal classification rules and decision theory to supervised CA, including how to properly handle class imbalance and differing costs of misclassification, 3. Two techniques for handling nonlocal information in CA, 4. A novel technique for unsupervised CA that is agnostic with regard to the underlying compression algorithm, 5. A framework for semisupervised CA when a small number of labels are known in an otherwise large unlabeled dataset. 6. The academic alliance component of this project has focused on the development of a novel exemplar-based Bayesian technique for estimating variable length Markov models (closely related to PPM [prediction by partial matching] compression techniques). We have developed examples illustrating the application of our work to text, video, genetic sequences, and unstructured cybersecurity log files.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1992

On the asymptotic improvement of supervised learning by utilizing additional unlabeled samples - Normal mixture density case

The effect of additional unlabeled samples in improving the supervised learning process is studied in this paper. Three learning processes. supervised, unsupervised, and combined supervised-unsupervised, are compared by studying the asymptotic behavior of the estimates obtained under each process. Upper and lower bounds on the asymptotic covariance matrices are derived. It is shown that under a normal mixture density assumption for the probability density function of the feature space, the combined supervised-unsupervised learning is always superior to the supervised learning in achieving better estimates. Experimental results are provided to verify the theoretical concepts.

Shahshahani, Behzad M.↗
DOE OSTI2024

Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation

Here, we present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks (GANs), normalizing flows, and variational auto-encoders (VAEs), are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple, fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require the use of reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the University of California Irvine (UCI) repository.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Unsupervised and Supervised Learning over the Energy Landscape for Protein Decoy Selection

The energy landscape that organizes microstates of a molecular system and governs the underlying molecular dynamics exposes the relationship between molecular form/structure, changes to form, and biological activity or function in the cell. However, several challenges stand in the way of leveraging energy landscapes for relating structure and structural dynamics to function. Energy landscapes are high-dimensional, multi-modal, and often overly-rugged. Deep wells or basins in them do not always correspond to stable structural states but are instead the result of inherent inaccuracies in semi-empirical molecular energy functions. Due to these challenges, energetics is typically ignored in computational approaches addressing long-standing central questions in computational biology, such as protein decoy selection. In the latter, the goal is to determine over a possibly large number of computationally-generated three-dimensional structures of a protein those structures that are biologically-active/native. In recent work, we have recast our attention on the protein energy landscape and its role in helping us to advance decoy selection. Here, we summarize some of our successes so far in this direction via unsupervised learning. More importantly, we further advance the argument that the energy landscape holds valuable information to aid and advance the state of protein decoy selection via novel machine learning methodologies that leverage supervised learning. Our focus in this article is on decoy selection for the purpose of a rigorous, quantitative evaluation of how leveraging protein energy landscapes advances an important problem in protein modeling. However, the ideas and concepts presented here are generally useful to make discoveries in studies aiming to relate molecular structure and structural dynamics to function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Resimulation-based self-supervised learning for pretraining physics foundation models

Self-supervised learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose resimulation-based self-supervised representation learning (RS3L), a novel simulation-based SSL strategy that employs a method of resimulation to drive data augmentation for contrastive learning in the physical sciences, particularly, in fields that rely on stochastic simulators. By intervening in the middle of the simulation process and rerunning simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how RS3L pretraining enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Leveraging unlabeled SEM datasets with self-supervised learning for enhanced particle segmentation

Scanning Electron Microscopes (SEMs) are widely used in experimental science laboratories, often requiring cumbersome and repetitive user analysis. Automating SEM image analysis processes is highly desirable to address this challenge. In particle sample analysis, Machine Learning (ML) has emerged as the most effective approach for particle segmentation. However, the time-intensive process of manually annotating thousands of SEM images limits the applicability of supervised learning approaches. Self-Supervised Learning (SSL) offers a promising alternative by enabling knowledge extraction from raw, unlabeled data. This study presents a framework for evaluating SSL techniques in SEM image analysis, focusing on novel methods leveraging the ConvNeXtV2 architecture for particle detection. A dataset comprising 25,000 SEM images is curated to benchmark these proposed SSL methods. The results demonstrate that ConvNeXtV2 models, with varying parameter counts, consistently outperform other techniques in particle detection across different length scales, achieving up to a 34% reduction in relative error compared to established SSL methods. Furthermore, an ablation study explores the relationship between dataset size and SSL performance, providing actionable insights for practitioners regarding model selection and resource efficiency. This research advances the integration of SSL into autonomous analysis pipelines and supports its application in accelerating materials science discovery.

Rettenberger, Luca↗
NASA NTRS1988

Supervised learning of probability distributions by neural networks

Supervised learning algorithms for feedforward neural networks are investigated analytically. The back-propagation algorithm described by Werbos (1974), Parker (1985), and Rumelhart et al. (1986) is generalized by redefining the values of the input and output neurons as probabilities. The synaptic weights are then varied to follow gradients in the logarithm of likelihood rather than in the error. This modification is shown to provide a more rigorous theoretical basis for the algorithm and to permit more accurate predictions. A typical application involving a medical-diagnosis expert system is discussed.

Baum, Eric B.↗
DOE OSTI2018

Using Rule-Based Models for Weak Supervised Learning: A ChemNet for Transferable Chemical Property Prediction

With access to large datasets, deep neural networks (DNN) have achieved human-level accuracy in image and speech recognition tasks. However, in chemistry, data is inherently small and fragmented. In this work, we develop an approach of integrating rule-based knowledge into the Chemception CNN model via transfer learning techniques. The resulting model, ChemNet, is a transferable and generalizable deep neural network for chemical property prediction that learns in a semi-supervised manner from large unlabeled chemical databases. When ChemNet is further fine-tuned on 3 smaller datasets to predict chemical properties that it was not originally trained on, we show that ChemNet exceeds the accuracy of existing Chemception CNN models and other contemporary DNN models that were trained using conventional supervised learning approaches. These results indicate that pre-training ChemNet on a large diverse chemical database while incorporating chemistry domain knowledge, enables the development of more generalizable deep neural networks for the prediction of novel chemical properties.

Artificial Intelligence, Cheminformatics, Computat↗
DOE OSTI2022

A data-centric weak supervised learning for highway traffic incident detection

Using the data from loop detector sensors for near-real-time detection of traffic incidents on highways is crucial to averting major traffic congestion. While recent supervised machine learning methods offer solutions to incident detection by leveraging human-labeled incident data, the false alarm rate is often too high to be used in practice. Specifically, the inconsistency in the human labeling of the incidents significantly affects the performance of supervised learning models. To that end, we focus on a data-centric approach to improve the accuracy and reduce the false alarm rate of traffic incident detection on highways. We develop a weak supervised learning workflow to generate high-quality training labels for the incident data without the ground truth labels, and we use those generated labels in the supervised learning setup for final detection. This approach comprises three stages. First, we introduce a data preprocessing and curation pipeline that processes traffic sensor data to generate high-quality training data through leveraging labeling functions, which can be domain knowledge-related or simple heuristic rules. Second, we evaluate the training data generated by weak supervision using three supervised learning models-random forest, k-nearest neighbors, and a support vector machine ensemble-and long short-term memory classifiers. The results show that the accuracy of all of the models improves significantly after using the training data generated by weak supervision. Third, we develop an online real-time incident detection approach that leverages the model ensemble and the uncertainty quantification while detecting incidents. Finally, we show that our proposed weak supervised learning workflow achieves a high incident detection rate (0.90) and low false alarm rate (0.08).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Supervised Learning for Distribution Secondary Systems Modeling: Improving Solar Interconnection Processes

The current interconnection process and hosting capacity analysis for distributed energy resources (DERs), such as photovoltaics (PV) and battery energy storage systems, are based on analyzing grid network constraints (voltage and thermal) using only medium-voltage distribution network models. This is because most utilities do not have secondary low-voltage system models that connect service transformers and residential customers. This is important because in many cases the main impact of interconnecting DERs could occur on the low-voltage distribution systems. This paper proposes a supervised learning method to approximate local secondary models to improve the interconnection process. The proposed supervised learning method includes a decision tree model that predicts the secondary topology and a logistic regression model that predicts conductor types. The case studies demonstrate the benefits of including secondary low-voltage circuits in the interconnection process. We report the proposed modeling methodology is readily scalable and thus can reduce the cost and effort of PV interconnection for the industry and stakeholders.

14 SOLAR ENERGY↗
NASA NTRS2017

Semi-Supervised Learning of Lift Optimization of Multi-Element Three-Segment Variable Camber Airfoil

This chapter describes a new intelligent platform for learning optimal designs of morphing wings based on Variable Camber Continuous Trailing Edge Flaps (VCCTEF) in conjunction with a leading edge flap called the Variable Camber Krueger (VCK). The new platform consists of a Computational Fluid Dynamics (CFD) methodology coupled with a semi-supervised learning methodology. The CFD component of the intelligent platform comprises of a full Navier-Stokes solution capability (NASA OVERFLOW solver with Spalart-Allmaras turbulence model) that computes flow over a tri-element inboard NASA Generic Transport Model (GTM) wing section. Various VCCTEF/VCK settings and configurations were considered to explore optimal design for high-lift flight during take-off and landing. To determine globally optimal design of such a system, an extremely large set of CFD simulations is needed. This is not feasible to achieve in practice. To alleviate this problem, a recourse was taken to a semi-supervised learning (SSL) methodology, which is based on manifold regularization techniques. A reasonable space of CFD solutions was populated and then the SSL methodology was used to fit this manifold in its entirety, including the gaps in the manifold where there were no CFD solutions available. The SSL methodology in conjunction with an elastodynamic solver (FiDDLE) was demonstrated in an earlier study involving structural health monitoring. These CFD-SSL methodologies define the new intelligent platform that forms the basis for our search for optimal design of wings. Although the present platform can be used in various other design and operational problems in engineering, this chapter focuses on the high-lift study of the VCK-VCCTEF system. Top few candidate design configurations were identified by solving the CFD problem in a small subset of the design space. The SSL component was trained on the design space, and was then used in a predictive mode to populate a selected set of test points outside of the given design space. The new design test space thus populated was evaluated by using the CFD component by determining the error between the SSL predictions and the true (CFD) solutions, which was found to be small. This demonstrates the proposed CFD-SSL methodologies for isolating the best design of the VCK-VCCTEF system, and it holds promise for quantitatively identifying best designs of flight systems, in general.

Intelligent Systems↗
DOE OSTI2018

Developing a Bubble Chamber Particle Discriminator Using Semi-Supervised Learning

The identification of non-signal events is a major hurdle to overcome for bubble chamber dark matter experiments such as PICO-60. The current practice of manually developing a discriminator function to eliminate background events is difficult when available calibration data is frequently impure and present only in small quantities. In this study, several different discriminator input/preprocessing formats and neural network architectures are applied to the task. First, they are optimized in a supervised learning context. Next, two novel semi-supervised learning algorithms are trained, and found to replicate the Acoustic Parameter (AP) discriminator previously used in PICO-60 with a mean of 97% accuracy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Mining for Strong Gravitational Lenses with Self-supervised Learning

We employ self-supervised representation learning to distill information from 76 million galaxy images from the Dark Energy Spectroscopic Instrument Legacy Imaging Surveys’ Data Release 9. Targeting the identification of new strong gravitational lens candidates, we first create a rapid similarity search tool to discover new strong lenses given only a single labeled example. We then show how training a simple linear classifier on the self-supervised representations, requiring only a few minutes on a CPU, can automatically classify strong lenses with great efficiency. We present 1192 new strong lens candidates that we identified through a brief visual identification campaign and release an interactive web-based similarity search tool and the top network predictions to facilitate crowd-sourcing rapid discovery of additional strong gravitational lenses and other rare objects: github.com/georgestein/ssl-legacysurvey.

79 ASTRONOMY AND ASTROPHYSICS↗
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 current and forecast of traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. In this paper, a methodology using supervised learning is developed to build a predictive model for RCM decision-support from large volumes of historical data. Data from two full years (2018 and 2019) related to current and forecast weather, demand/capacity, etc. is collected, analyzed, and fused together. A variety of supervised learning algorithms are tested for predicting runway configuration and hyperparameter tuning is carried out to select the best performing model. The validation process involves two airports of low (Charlotte Douglas International Airport, CLT) and high (Denver International Airport, DEN) complexity of configuration decision-making. The results show significant promise for the two airports with test accuracy of 93% (CLT) and 73% (DEN). The methodology is scalable and generalizable to other airports across the U.S. National Airspace System.

air traffic management↗
NASA NTRSDate not supplied

Predicting Airport Runway Configuration 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 current and forecast of traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. In this paper, a methodology using supervised learning is developed to build a predictive model for RCM decision-support from large volumes of historical data. Data from two full years (2018 and 2019) related to current and forecast weather, demand/capacity, etc. is collected, analyzed, and fused together. A variety of supervised learning algorithms are tested for predicting runway configuration and hyperparameter tuning is carried out to select the best performing model. The validation process involves two airports of low (Charlotte Douglas International Airport, CLT) and high (Denver International Airport, DEN) complexity of configuration decision-making. The results show significant promise for the two airports with test accuracy of 93% (CLT) and 73% (DEN). The methodology is scalable and generalizable to other airports across the U.S. National Airspace System.

air traffic management↗
DOE OSTI2022

Supervised learning and the finite-temperature string method for computing committor functions and reaction rates

A central object in the computational studies of rare events is the committor function. Though costly to compute, the committor function encodes complete mechanistic information of the processes involving rare events, including reaction rates and transition-state ensembles. Under the framework of transition path theory, Rotskoff et al. [Proceedings of the 2nd Mathematical and Scientific Machine Learning Conference, Proceedings of Machine Learning Research (PLMR, 2022), Vol. 145, pp. 757–780] proposes an algorithm where a feedback loop couples a neural network that models the committor function with importance sampling, mainly umbrella sampling, which collects data needed for adaptive training. Here, in this work, we show additional modifications are needed to improve the accuracy of the algorithm. The first modification adds elements of supervised learning, which allows the neural network to improve its prediction by fitting to sample-mean estimates of committor values obtained from short molecular dynamics trajectories. The second modification replaces the committor-based umbrella sampling with the finite-temperature string (FTS) method, which enables homogeneous sampling in regions where transition pathways are located. We test our modifications on low-dimensional systems with non-convex potential energy where reference solutions can be found via analytical or finite element methods, and show how combining supervised learning and the FTS method yields accurate computation of committor functions and reaction rates. We also provide an error analysis for algorithms that use the FTS method, using which reaction rates can be accurately estimated during training with a small number of samples. The methods are then applied to a molecular system in which no reference solution is known, where accurate computations of committor functions and reaction rates can still be obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Failure Analysis of a Complex Learning Framework Incorporating Multi-Modal and Semi-Supervised Learning

Machine learning is used in many applications, from machine vision to speech recognition to decision support systems, and is used to test applications. However, though much has been done to evaluate the performance of machine learning algorithms, little has been done to verify the algorithms or examine their failure modes. Moreover, complex learning frameworks often require stepping beyond black box evaluation to distinguish between errors based on natural limits on learning and errors that arise from mistakes in implementation. We present a conceptual architecture, failure model and taxonomy, and failure modes and effects analysis (FMEA) of a semi-supervised, multi-modal learning system, and provide specific examples from its use in a radiological analysis assistant system. The goal of the research described in this paper is to provide a foundation from which dependability analysis of systems using semi-supervised, multi-modal learning can be conducted. The methods presented provide a first step towards that overall goal.

99 GENERAL AND MISCELLANEOUS↗