Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Pre-training”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Fidelity-preserving enhancement of ptychography with foundational text-to-image models

Ptychographic phase retrieval enables high-resolution imaging of complex samples but often suffers from artifacts such as grid pathology and multislice crosstalk, which degrade reconstructed images. We propose a plug-and-play (PnP) framework that integrates physics model-based phase retrieval with text-guided image editing using foundational diffusion models. By employing the alternating direction method of multipliers, our approach ensures consensus between data fidelity and artifact removal subproblems, maintaining physical consistency while enhancing image quality. Artifact removal is achieved using a text-guided diffusion image editing method (LEDITS++) with a pre-trained foundational diffusion model, allowing users to specify artifacts for removal in natural language. Demonstrations on simulated and experimental datasets show significant improvements in artifact suppression and structural fidelity, validated by metrics such as peak signal-to-noise ratio and diffraction pattern consistency. This work highlights the combination of text-guided generative models and model-based phase retrieval algorithms as a transferable and fidelity-preserving method for high-quality diffraction imaging.

image editing↗
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 OSTI2026

RouteE API

This is the API endpoint for RouteE energy prediction, which can be used to get both single vehicle link or route energy estimates and transportation network-wide energy consumption estimates for a variety of vehicles. This enables external researchers and transportation engineers to access and utilize NLR's growing library of pre-trained vehicle models for prediction of transportation energy consumption. This API provides three endpoints: - /route: Energy estimation of a vehicle over a planning link or sequence of links (route). - /network: Network-wide estimation of energy consumption for all vehicle traffic in the desired area. - /compass: Energy-optimal “eco-routing” between input origin and destination coordinates (Currently in beta for Denver metro area only).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

SOC Microstructural Property Estimator

This pre-trained ML model is a tool that uses basic compositional parameters for porous solid oxide cell (SOC) electrodes - the phase fractions and mean particle/pore diameters – as inputs and uses them to estimate additional electrochemical performance parameters: active (i.e., connected) TPB density, all tortuosity factors, and phase pair specific interfacial areas. The electrode is assumed to be composed of two solid phases and a pore phase. The property calculations are performed using neural network regression models trained on a large bank of synthetic electrode microstructural data that NETL has generated using the program DREAM3D (that bank is also hosted on EDX: https://edx.netl.doe.gov/dataset/soc-synthetic-microstructure-bank). This means the generated parameters are based on training from actual measured properties from 3D microstructures, not estimated from geometric simplifications. This tool was developed and is intended to replace percolation theory calculations in models that use hypothetical electrode properties. An example use case would be running SOC performance simulations across a parametric sweep of electrode designs (e.g., varying phase fractions and particle sizes) and assessing how it impacts the electrochemical performance of the SOC. Within the parameter space of the training data (statistics of that parameter space is provided in the readme file), this model achieves sub-5% mean absolute percent errors, an order of magnitude less error than percolation theory across the same parameter space. However, be aware that this tool was developed with parametric simulations in mind, and users are encouraged to assess accuracy for their own specific use case rather than taking accuracy metrics at face value. More info, including a usage guide, is in the included readme file. This tool should be cited with the DOI number provided.

Electrode Microstructure↗
DOE OSTI2026

Structure-Aware Unsupervised, Transformational Machine Learning for Drug Discovery (DTRA Basic Research Final Report)

The major goal of this project is to develop machine learning (ML) methods to enable improved predictive power on real drug discovery for novel targets. More specifically, we planned to demonstrate the capability and effectiveness of ML tools utilizing unlabeled large-volume protein-ligand datasets. We investigated multiple pre-training approaches for 3D protein-ligand structure-based foundation models, without relying on experimental binding data. We also addressed scenarios in which crystal structures are unavailable or binding data are limited. We also planned to develop a complete pipeline to screen novel compounds as well as to demonstrate the capability and effectiveness of the developed methods by testing on a realistic drug discovery task such as SARS-CoV-2. While the major goals and milestones remain consistent with the original proposal, certain technical details have been adjusted, based on the experimental results and related outcomes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Scalable foundation models for numerical simulations on HPC platforms

In recent years, foundation models (FMs) have begun to reshape numerical simulations on high-performance computing (HPC) platforms. These large, pre-trained AI models enable rapid predictions across a broad range of physical domains, including Earth system modeling, fluid dynamics, materials science, as well as complex multi-modal simulations in aerospace engineering and fusion research. By training on diverse datasets, FMs learn intricate relationships and underlying physical behavior while also enabling the quantification of uncertainty in their predictions. This capability allows simulations that once required days of numerical calculation to be completed in minutes (FM inference), supporting real-time design optimization, uncertainty-aware decision making, and more comprehensive exploration of complex scenarios.

AI↗
DOE OSTI2025

Applying Deep Learning for Wildfire Identification: Economical and Accessible Solutions Leveraging Small Datasets

Wildfires significantly impact human health, air quality, visibility, weather, and climate change and cause substantial economic losses. While state and county-operated air quality monitors provide critical insights during wildfires, they are not available in all regions. This highlights the need for affordable, accessible tools that allow the general public to assess air quality impacts. In this study, we apply machine learning with deep neural networks to diagnose air quality rapidly from sky images taken at the Pacific Northwest National Laboratory in Richland, WA, USA. Using a convolutional neural network (CNN) framework, we trained a deep learning model to classify air quality indices based on sky images. By leveraging transfer learning, our approach fine-tunes a pre-trained model on a small dataset of sky images, significantly reducing training time while maintaining high accuracy. Our results demonstrate the potential of deep learning to provide rapid air quality diagnostics during wildfire episodes, offering early warnings to the public and enabling timely mitigation strategies, particularly for vulnerable populations. Additionally, we show that lower respiratory infections pose the highest health risk during acute smoke exposures. Reactive oxygen species (ROS) from wildfire particles further exacerbate health risks by triggering inflammation and other adverse effects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

You Only Look Once v5 and Multi-Template Matching for Small-Crack Defect Detection on Metal Surfaces

This paper compares the performance of Deep Learning (DL) and multi-template matching (MTM) models for detecting small defects. DL models extract distinguishing features of objects but require a large dataset of images. In contrast, alternative computer vision techniques like MTM need a relatively small dataset. The lack of large datasets for small metal-surface defects has inhibited the adoption of automation in small-defect detection in remanufacturing settings. This motivated this preliminary study to compare template-based approaches, like MTM, with feature-based approaches, such as DL models, for small-defect detection on an initial laboratory and remanufacturing industry dataset. This study used You Only Look Once v5 (YOLOv5) as the DL model and compared its performance against the MTM model for small-crack detection. The findings of our preliminary investigation are as follows: (i) YOLOv5 demonstrated higher performance than MTM in detecting small cracks; (ii) an extra-large variant of YOLOv5 outperformed a small-size variant; (iii) the size and object variety of the data are crucial in achieving robust pre-trained weights for use in transfer learning; and (iv) enhanced image resolution contributes to precise object detection.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Data Quality Monitoring for the Hadron Calorimeters Using Transfer Learning for Anomaly Detection

The proliferation of sensors brings an immense volume of spatio-temporal (ST) data in many domains, including monitoring, diagnostics, and prognostics applications. Data curation is a time-consuming process for a large volume of data, making it challenging and expensive to deploy data analytics platforms in new environments. Transfer learning (TL) mechanisms promise to mitigate data sparsity and model complexity by utilizing pre-trained models for a new task. Despite the triumph of TL in fields like computer vision and natural language processing, efforts on complex ST models for anomaly detection (AD) applications are limited. In this study, we present the potential of TL within the context of high-dimensional ST AD with a hybrid autoencoder architecture, incorporating convolutional, graph, and recurrent neural networks. Motivated by the need for improved model accuracy and robustness, particularly in scenarios with limited training data on systems with thousands of sensors, this research investigates the transferability of models trained on different sections of the Hadron Calorimeter of the Compact Muon Solenoid experiment at CERN. The key contributions of the study include exploring TL’s potential and limitations within the context of encoder and decoder networks, revealing insights into model initialization and training configurations that enhance performance while substantially reducing trainable parameters and mitigating data contamination effects.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Discovering Strong Gravitational Lenses in the Dark Energy Survey with Interactive Machine Learning and Crowd-sourced Inspection with Space Warps

We conduct a search for strong gravitational lenses in the Dark Energy Survey (DES) Year 6 imaging data. We implement a pre-trained Vision Transformer (ViT) for our machine learning (ML) architecture and adopt interactive machine learning to construct a training sample with multiple classes to address common types of false positives. Our ML model reduces ∼236 million DES cutout images to 22,564 targets of interest, including ∼85% of previously reported galaxy–galaxy lens candidates discovered in DES. These targets were visually inspected by citizen scientists, who ruled out ∼90% as false positives. Of the remaining 2618 candidates, 149 were expert-classified as “definite” lenses and 516 as “probable” lenses, for a total of 665 systems, with 147 of these candidates being newly identified. Additionally, we trained a second ViT to find double-source plane lens systems, finding at least one double-source system. Our main ViT excels at identifying galaxy–galaxy lenses, consistently assigning high scores to candidates with high expert assessments. The top 800 ViT-scored images include ∼100 of our “definite” lens candidates. This selection is an order of magnitude higher in purity than previous convolutional neural-network-based lens searches and demonstrates the feasibility of applying our methodology for discovering large samples of lenses in future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A Fast, Accurate Prediction for System-Wide Damage Due to Dynamic Wind Loading

The complex relationship between photovoltaic (PV) hardware configurations, overall system dynamics, and turbulent aerodynamic phenomena generates highly unsteady, non-uniform loads that can lead to damaging instabilities. These effects may result in glass breakage, cell cracking, and structural failures in frames and mounting systems, even under moderate wind conditions. Addressing industry concerns about premature system failures in field conditions deemed survivable, our research aims to develop a fast and accurate predictive model for system damage. This model integrates configurable hardware choices with advanced simulation tools to represent the overall system-specific dynamics effectively. Using this model, we predict responses under varying weather conditions and hardware setups, translating these predictions into pre-trained surrogate models capable of accurately identifying failure risks and rapidly testing new system hardening measures. In this presentation, we will showcase preliminary results in capturing system dynamics through our customizable library of PV hardware configurations. Additionally, we will highlight how these new tools build upon PVade's established wind load modeling capabilities and foster the development of advanced AI/ML surrogates for improving system robustness.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2026

Incremental Learning for Passive Microwave Precipitation Retrievals using Advanced Technology Microwave Sounder

Spaceborne passive microwave (PMW) radiometry is central to global precipitation monitoring, yet retrieval uncertainties remain substantial, particularly for cross-track sounders whose variable footprints and channel configurations are optimized for atmospheric temperature and moisture profiling rather than precipitation. Consequently, existing operational products often exhibit angular-dependent biases, limited effective swath utilization, unrealistic rainfall probability distributions, and systematic misclassification of precipitation phase. These limitations are further compounded by the scarcity of globally accurate and representative precipitation observations, as training data from the Dual-frequency Precipitation Radar (DPR) and the Cloud Profiling Radar (CPR) are spatially sparse, lack uniform global coverage, and exhibit heterogeneous error characteristics across precipitation regimes. To address these challenges, this study presents a supervised retrieval algorithm that incrementally trains an ensemble of extreme gradient-boosted decision trees by augmenting base learners with pre-training on reanalysis data and post-training on coincident DPR and CPR observations matched with the Advanced Technology Microwave Sounder (ATMS). By transferring prior information from reanalysis to posterior constraints from radar observations and adopting a sequential detection–estimation strategy for precipitation phase and rate retrieval, the proposed approach yields retrievals across the full ATMS swath that are largely free from persistent deficiencies in current Global Precipitation Measurement (GPM) passive microwave operational products. In particular, the method resolves bimodal artifacts in rainfall retrievals and mitigates systematic high-latitude snowfall biases, including overestimation across the Arctic and underestimation across the Antarctic. Validation against independent Multi-Radar Multi-Sensor (MRMS) data over the Contiguous United States (CONUS) further demonstrates improved performance in precipitation phase detection and rate estimation relative to both reanalysis and current GPM PMW products.

Mahyar Garshasbi↗
DOE OSTI2025

GeoLoRA: Geometric integration for parameter efficient fine-tuning

Low-Rank Adaptation (LoRA) has become a widely used method for parameter-efficient fine-tuning of large-scale, pre-trained neural networks. However, LoRA and its extensions face several challenges, including the need for rank adaptivity, robustness, and computational efficiency during the fine-tuning process. We introduce GeoLoRA, a novel approach that addresses these limitations by leveraging dynamical low-rank approximation theory. GeoLoRA requires only a single backpropagation pass over the small-rank adapters, significantly reducing computational cost as compared to similar dynamical low-rank training methods and making it faster than popular baselines such as AdaLoRA. This allows GeoLoRA to efficiently adapt the allocated parameter budget across the model, achieving smaller low-rank adapters compared to heuristic methods like AdaLoRA and LoRA, while maintaining critical convergence, descent, and error-bound theoretical guarantees. The resulting method is not only more efficient but also more robust to varying hyperparameter settings. We demonstrate the effectiveness of GeoLoRA on several state-of-the-art benchmarks, showing that it outperforms existing methods in both accuracy and computational efficiency.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗
DOE OSTI2026

Artificial Intelligence for Event Reconstruction and Higgs Physics at CMS and Future Colliders

This dissertation charts a trajectory in which advances in artificial intelligence (AI) play a central role in pushing the high-energy physics frontier, complementing progress driven by higher collision energies and larger colliders. The discovery potential of the LHC and future colliders relies on accurate reconstruction of increasingly complex particle collision events. In the CMS experiment, this task is performed by the particle-flow (PF) algorithm. This dissertation presents the first implementation of a machine-learning-based particle-flow (MLPF) reconstruction in the CMS detector based on transformer architectures. In simulated top quark--antiquark pair (ttbar) events under LHC Run~3 (2023--2024) conditions, MLPF improves jet energy resolution by 10--20\% compared to standard PF for jets with transverse momentum between 30--100\GeV. Runtime performance is evaluated using simulated multijet events, with a median inference time of 20\unit{ms} per event on an NVIDIA L4 GPU, compa red to approximately 110\unit{ms} for standard PF. The MLPF algorithm is also validated on Run~3 collision data, representing the first data-validated ML-based reconstruction pipeline at any LHC experiment. We then extend MLPF toward future electron--positron colliders and introduce the first full-simulation cross-detector transfer learning workflow for PF reconstruction. The model is pre-trained on simulated events from the Compact Linear Collider detector (CLICdet) and fine-tuned on the CLIC-like detector (CLD) proposed for the Future Circular Collider (FCC). This approach achieves up to a 40\% improvement in jet energy resolution over rule-based reconstruction while reducing the required training dataset size by an order of magnitude, demonstrating the potential of AI to accelerate detector development and optimization. This dissertation also demonstrates how modern AI techniques enhance the sensitivity of LHC physics analyses. A CMS search for highly Lorentz-boosted Higgs bosons decaying to \textrm{W} boson pairs is presented, focusing on the single-lepton final state. A dedicated fine-tuning strategy for \ParT yields an approximately 70\% increase in expected sensitivity relative to the baseline model. The analysis uses proton--proton collision data at a center-of-mass energy of \ensuremath{\sqrt{s}=13\TeV} collected by CMS between 2016 and 2018, corresponding to an integrated luminosity of 138\ensuremath{\ \mathrm{fb}^{-1}}. The expected significance of the search is $1.86\sigma$, with an observed signal strength of $-0.19^{+0.48}_{-0.46}$. Finally, explainable AI techniques are applied to the MLPF and \ParticleNet algorithms using layerwise relevance propagation, showing that both models base their predictions on physically meaningful features consistent with our physics intuition. Together, these results demonstrate how advanced AI methods can enhance reconstruction, analysis sensitivity, and interpretability, shaping the next era of experimental parti cle physics.

Mokhtar, Farouk [UC, San Diego]↗
DOE OSTI2025

A geometric framework for momentum-based optimizers for low-rank training

Low-rank pre-training and fine-tuning have recently emerged as promising techniques for reducing the computational and storage costs of large neural networks. Training low-rank parameterizations typically relies on conventional optimizers such as heavy ball momentum methods or Adam. In this work, we identify and analyze potential difficulties that these training methods encounter when used to train low-rank parameterizations of weights. In particular, we show that classical momentum methods can struggle to converge to a local optimum due to the geometry of the underlying optimization landscape. To address this, we introduce novel training strategies derived from dynamical low-rank approximation, which explicitly account for the underlying geometric structure. Our approach leverages and combines tools from dynamical low-rank approximation and momentum-based optimization to design optimizers that respect the intrinsic geometry of the parameter space. We validate our methods through numerical experiments, demonstrating faster convergence, and stronger validation metrics at given parameter budgets.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗
DOE OSTI2025

Automated Waterbox Inspection for Nuclear Power Plants Using Computer Vision - Based Change Detection

Nuclear power plant waterboxes require regular inspection for leaks, missing components, and structural damage during maintenance outages. Traditional manual inspection is time-consuming and poses safety risks from confined space entry. We developed an automated computer vision system for drone-based waterbox inspection in partnership with Florida Light and Power. Our approach uses feature detection and matching to identify critical changes between baseline and current inspection images, automatically flagging additions (leaks/debris), removals (missing plugs), and translations (displaced components) while compensating for drone movement and environmental variations. We systematically evaluated six feature matching methods, from classical approaches (SIFT+BF) to state-of-the-art neural networks (SuperPoint+SuperGlue), using both standard benchmarks (HPatches) and waterbox-specific validation with real-world augmentations. SuperPoint+SuperGlue achieved superior performance with 7.82 pixels RMSE and 100% success rate—2.8x better accuracy than our baseline. While the pre-trained model has commercial licensing restrictions for nuclear deployment, our findings validate this architecture for custom training. We implemented a real-time GUI demonstrating the SIFT+BF approach for immediate deployment, processing drone feeds at 30 FPS with color-coded change visualization. Future work includes training a custom SuperPoint+SuperGlue model on waterbox data and integrating Vision-Language Models for automated reporting and maintenance guidance.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2026

Neural Scaling Laws for Jet Generation

Recently observed empirical scaling laws describe the performance of foundation-type models as three independent key quantities -- dataset size, compute, and model parameters -- are modified. Extracting these scaling laws informs the training of large complex models for which the tuning of hyperparameters in traditional ways is not feasible. This work for the first time explores if scaling laws can also be observed for the task of particle jet generation -- both relevant as a pre-training objective for foundation models and as in-situ simulation by itself. We indeed replicate the key logarithmic scaling law behavior for model-size scaling. Beyond studying the next token prediction validation loss of the generative model, we also study the sliced Wasserstein distance of five physical quantities that are not immediately available to the model during training. Our study shows that this quantity is monotonically related to the next token prediction validation loss, meaning that this loss is indeed a good proxy for the physics performance. For the scaling with dataset size and compute, we observe substantially weaker scaling behavior of both the loss and the sliced Wasserstein distance. We analyze this behavior by introducing the concept of a learnable window, and argue that autoregressive next token prediction on jet constituents exhibits comparatively rapid saturation relative to language-model studies. We discuss possible origins of this behavior, including the stochastic nature of QCD radiation and differences between generative and supervised learning tasks in collider physics.

Amram, Oz [Fermilab]↗
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↗