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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Masked Particle Modeling on Sets: Towards Self-Supervised High Energy Physics Foundation Models

Abstract We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Heinrich, Lukas (ORCID:0000000240487584)↗
DOE OSTI2025

Anomaly Detection Based on Machine Learning for the CMS Electromagnetic Calorimeter Online Data Quality Monitoring

Using a semi-supervised machine learning approach we present a real-time anomaly detection system based on an autoencoder used for online data quality monitoring of the CMS electromagnetic calorimeter operating at the CERN LHC. We introduce a novel method that maximizes the anomaly detection performance making use of the time-dependence of anomalies and the spatial variations in the detector response. The autoencoder-based system efficiently detects anomalies in real time and maintains a very low false discovery rate. We validate the performance of this novel system with anomalies from LHC collision data taken in 2018 and 2022. In addition, results are presented after deploying the autoencoder-based system in the CMS online Data Quality Monitoring workflow at the beginning of LHC Run 3 resulting in the system to detect issues that were missed by the existing system.

Harilal, Abhirami [Carnegie Mellon University, Pit↗
DOE OSTI2021

Improve Learning from Crowds via Generative Augmentation

Crowdsourcing provides an efficient label collection schema for supervised machine learning. However, to control annotation cost, each instance in the crowdsourced data is typically annotated by a small number of annotators. This creates a sparsity issue and limits the quality of machine learning models trained on such data. In this paper, we study how to handle sparsity in crowdsourced data using data augmentation. Specifically, we propose to directly learn a classifier by augmenting the raw sparse annotations. We implement two principles of high-quality augmentation using Generative Adversarial Networks: 1) the generated annotations should follow the distribution of authentic ones, which is measured by a discriminator; 2) the generated annotations should have high mutual information with the ground-truth labels, which is measured by an auxiliary network. Extensive experiments and comparisons against an array of state-of-the-art learning from crowds methods on three real-world datasets proved the effectiveness of our data augmentation framework. It shows the potential of our algorithm for low-budget crowdsourcing in general.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Deep learning classification of lipid droplets in quantitative phase images

We report the application of supervised machine learning to the automated classification of lipid droplets in label-free, quantitative-phase images. By comparing various machine learning methods commonly used in biomedical imaging and remote sensing, we found convolutional neural networks to outperform others, both quantitatively and qualitatively. We describe our imaging approach, all implemented machine learning methods, and their performance with respect to computational efficiency, required training resources, and relative method performance measured across multiple metrics. Overall, our results indicate that quantitative-phase imaging coupled to machine learning enables accurate lipid droplet classification in single living cells. As such, the present paradigm presents an excellent alternative of the more common fluorescent and Raman imaging modalities by enabling label-free, ultra-low phototoxicity, and deeper insight into the thermodynamics of metabolism of single cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Deep Learning Filter for the Intraseasonal Variability of the Tropics

Abstract This paper presents a novel application of convolutional neural network (CNN) models for filtering the intraseasonal variability of the tropical atmosphere. In this deep learning filter, two convolutional layers are applied sequentially in a supervised machine learning framework to extract the intraseasonal signal from the total daily anomalies. The CNN-based filter can be tailored for each field similarly to fast Fourier transform filtering methods. When applied to two different fields (zonal wind stress and outgoing longwave radiation), the index of agreement between the filtered signal obtained using the CNN-based filter and a conventional weight-based filter is between 95% and 99%. The advantage of the CNN-based filter over the conventional filters is its applicability to time series with the length comparable to the period of the signal being extracted. Significance Statement This study proposes a new method for discovering hidden connections in data representative of tropical atmosphere variability. The method makes use of an artificial intelligence (AI) algorithm that combines a mathematical operation known as convolution with a mathematical model built to reflect the behavior of the human brain known as artificial neural network. Our results show that the filtered data produced by the AI-based method are consistent with the results obtained using conventional mathematical algorithms. The advantage of the AI-based method is that it can be applied to cases for which the conventional methods have limitations, such as forecast (hindcast) data or real-time monitoring of tropical variability in the 20–100-day range.

Stan, Cristiana↗
DOE OSTI2020

Chapter 14: Machine Learning of Combustion LES Models from Reacting Direct Numerical Simulation

In this chapter we demonstrate how supervised deep learning techniques can be used to construct models for the filtered progress variable source term necessary for large eddy simulation (LES). The source data for the model is a direct numerical simulation (DNS) of a reacting flow in a low swirl burner configuration. Filtered quantities taken from the DNS data are used to train a deep neural network (DNN)-based model. An efficient data sampling strategy was devised to ensure that a uniform representation of all the states observed in the filtered DNS data are equally present in the training dataset. A-priori testing of the DNN-based model highlights the representative power of DNN to accurately reproduce the filtered reaction progress variable source term over a range of scales and various flame regimes as seen in an industrial burner.

combustion LES models↗
DOE OSTI2025

Enabling end-to-end secure federated learning in biomedical research on heterogeneous computing environments with APPFLx

Facilitating large-scale, cross-institutional collaboration in biomedical machine learning (ML) projects requires a trustworthy and resilient federated learning (FL) environment to ensure that sensitive information such as protected health information is kept confidential. Specifically designed for this purpose, this work introduces APPFLx - a low-code, easy-to-use FL framework that enables easy setup, configuration, and running of FL experiments. APPFLx removes administrative boundaries of research organizations and healthcare systems while providing secure end-to-end communication, privacy-preserving functionality, and identity management. Furthermore, it is completely agnostic to the underlying computational infrastructure of participating clients, allowing an instantaneous deployment of this framework into existing computing infrastructures. Experimentally, the utility of APPFLx is demonstrated in two case studies: (1) predicting participant age from electrocardiogram (ECG) waveforms, and (2) detecting COVID-19 disease from chest radiographs. Here, ML models were securely trained across heterogeneous computing resources, including a combination of on-premise high-performance computing and cloud computing facilities. By securely unlocking data from multiple sources for training without directly sharing it, these FL models enhance generalizability and performance compared to centralized training models while ensuring data remains protected. In conclusion, APPFLx demonstrated itself as an easy-to-use framework for accelerating biomedical studies across organizations and healthcare systems on large datasets while maintaining the protection of private medical data.

Biomedical Research↗
DOE OSTI2022

Predicting solid state material platforms for quantum technologies

Semiconductor materials provide a compelling platform for quantum technologies (QT). However, identifying promising material hosts among the plethora of candidates is a major challenge. Therefore, we have developed a framework for the automated discovery of semiconductor platforms for QT using material informatics and machine learning methods. Different approaches were implemented to label data for training the supervised machine learning (ML) algorithms logistic regression, decision trees, random forests and gradient boosting. We find that an empirical approach relying exclusively on findings from the literature yields a clear separation between predicted suitable and unsuitable candidates. In contrast to expectations from the literature focusing on band gap and ionic character as important properties for QT compatibility, the ML methods highlight features related to symmetry and crystal structure, including bond length, orientation and radial distribution, as influential when predicting a material as suitable for QT.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hazard Contribution Modes of Machine Learning Components

Amongst the essential steps to be taken towards developing and deploying safe systems with embedded learning-enabled components (LECs)—i.e., software components that use machine learning (ML)—are to analyze and understand the contribution of the constituent LECs to safety, and to assure that those contributions have been appropriately managed. This paper addresses both steps by, first, introducing the otion of hazard contribution modes (HCMs)—a categorization of the ways in which the ML elements of LECs can contribute to hazardous system states; and, second, describing how argumentation patterns can capture the reasoning that can be used to assure HCM mitigation. Our framework is generic in the sense that the categories of HCMs developed i) can admit different learning schemes, i.e., supervised, unsupervised, and reinforcement learning, and ii) are not dependent on the type of system in which the LECs are embedded, i.e., both cyber and cyber-physical systems. One of the goals of this work is to serve a starting point for systematizing LEC safety analysis towards eventually automating it in a tool.

Smith, Colin↗
DOE OSTI2026

Self-supervised and multi-fidelity learning for extended predictive soil spectroscopy

Infrared spectroscopy is a cost-effective, non-destructive, and environmentally benign technology that is increasingly recognized as an important solution for meeting the global demand for soil data. While both near-infrared (NIR) and mid-infrared (MIR) diffuse reflectance spectroscopy enable rapid estimation of soil properties, they present a significant trade-off: NIR offers superior scalability and lower operational costs, whereas MIR provides higher analytical fidelity by capturing fundamental molecular vibrations. In this study, we propose a self-supervised, multi-fidelity learning framework designed to bridge this gap. Our approach leverages large-scale MIR spectral libraries to learn a compact, transferable latent representation, into which NIR spectra are subsequently aligned for downstream prediction. The workflow consists of pretraining a latent model on a large MIR library, adapting the representation using a smaller paired NIR–MIR dataset, and evaluating generalization on an independent external test set. Across a range of chemical and physical soil properties, we found that MIR-derived embeddings improved prediction accuracy relative to baseline models that used raw MIR inputs. Predictions derived from the spectrum conversion (NIR to MIR) task did not match the performance of the original MIR spectra but were similar or superior to predictive performance of NIR-only models, suggesting the unified spectral latent space can effectively leverage the larger and more diverse MIR dataset for prediction of soil properties not well represented in current NIR libraries.

54 ENVIRONMENTAL SCIENCES↗