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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

DeepMerge – II. Building robust deep learning algorithms for merging galaxy identification across domains

In astronomy, neural networks are often trained on simulation data with the prospect of being used on telescope observations. Unfortunately, training a model on simulation data and then applying it to instrument data leads to a substantial and potentially even detrimental decrease in model accuracy on the new target dataset. Simulated and instrument data represent different data domains, and for an algorithm to work in both, domain-invariant learning is necessary. Here we employ domain adaptation techniques— Maximum Mean Discrepancy (MMD) as an additional transfer loss and Domain Adversarial Neural Networks (DANNs)— and demonstrate their viability to extract domain-invariant features within the astronomical context of classifying merging and non-merging galaxies. Additionally, we explore the use of Fisher loss and entropy minimization to enforce better in-domain class discriminability. We show that the addition of each domain adaptation technique improves the performance of a classifier when compared to conventional deep learning algorithms. We demonstrate this on two examples: between two Illustris-1 simulated datasets of distant merging galaxies, and between Illustris-1 simulated data of nearby merging galaxies and observed data from the Sloan Digital Sky Survey. The use of domain adaptation techniques in our experiments leads to an increase of target domain classification accuracy of up to ~20%. With further development, these techniques will allow astronomers to successfully implement neural network models trained on simulation data to efficiently detect and study astrophysical objects in current and future large-scale astronomical surveys.

galaxies: interactions↗
DOE OSTI2026

GADRAS + Geant4 Simulated Gamma Spectra Dataset

This dataset contains GADRAS and Geant4 simulated gamma-ray energy spectra used in the papers "Sim-to-real supervised domain adaptation for radioisotope identification" (https://doi.org/10.1016/j.nima.2025.171159) and "Unsupervised domain adaptation for radioisotope identification in gamma spectroscopy" (https://arxiv.org/abs/2603.05719). Each spectrum contains a mixture of several different radioisotopes, and the goal of the analysis is to leverage domain adaptation techniques to use a model trained on source-domain spectra (GADRAS) to classify target-domain spectra (Geant4).

Lalor, Peter William [Pacific Northwest National L↗
DOE OSTI2022

DeepAdversaries: examining the robustness of deep learning models for galaxy morphology classification

With increased adoption of supervised deep learning methods for work with cosmological survey data, the assessment of data perturbation effects (that can naturally occur in the data processing and analysis pipelines) and the development of methods that increase model robustness are increasingly important. In the context of morphological classification of galaxies, we study the effects of perturbations in imaging data. In particular, we examine the consequences of using neural networks when training on baseline data and testing on perturbed data. We consider perturbations associated with two primary sources: (a) increased observational noise as represented by higher levels of Poisson noise and (b) data processing noise incurred by steps such as image compression or telescope errors as represented by one-pixel adversarial attacks. We also test the efficacy of domain adaptation techniques in mitigating the perturbation-driven errors. We use classification accuracy, latent space visualizations, and latent space distance to assess model robustness in the face of these perturbations. For deep learning models without domain adaptation, we find that processing pixel-level errors easily flip the classification into an incorrect class and that higher observational noise makes the model trained on low-noise data unable to classify galaxy morphologies. On the other hand, we show that training with domain adaptation improves model robustness and mitigates the effects of these perturbations, improving the classification accuracy up to 23% on data with higher observational noise. Domain adaptation also increases up to a factor of ${\approx}2.3$ the latent space distance between the baseline and the incorrectly classified one-pixel perturbed image, making the model more robust to inadvertent perturbations. Successful development and implementation of methods that increase model robustness in astronomical survey pipelines will help pave the way for many more uses of deep learning for astronomy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Learning to Correct Climate Projection Biases

The fidelity of climate projections is often undermined by biases in climate models due to their simplification or misrepresentation of unresolved climate processes. While various bias correction methods have been developed to post-process model outputs to match observations, existing approaches usually focus on limited, low-order statistics, or break either the spatiotemporal consistency of the target variable, or its dependency upon model resolved dynamics. We develop a Regularized Adversarial Domain Adaptation (RADA) methodology to overcome these deficiencies, and enhance efficient identification and correction of climate model biases. Instead of pre-assuming the spatiotemporal characteristics of model biases, we apply discriminative neural networks to distinguish historical climate simulation samples and observation samples. The evidences based on which the discriminative neural networks make distinctions are applied to train the domain adaptation neural networks to bias correct climate simulations. We regularize the domain adaptation neural networks using cycle-consistent statistical and dynamical constraints. An application to daily precipitation projection over the contiguous United States shows that our methodology can correct all the considered moments of daily precipitation at approximately $1^\circ$ resolution, ensures spatiotemporal consistency and inter-field correlations, and can discriminate between different dynamical conditions. Our methodology offers a powerful tool for disentangling model parameterization biases from their interactions with the chaotic evolution of climate dynamics, opening a novel avenue toward big-data enhanced climate predictions.

58 GEOSCIENCES↗
DOE OSTI2025

AI in Astrophysics: Tackling Domain Shift, Model Robustness and Uncertainty

Artificial Intelligence (AI) is revolutionizing physics research from probing the large-scale structure of the Universe to modeling subatomic interactions and fundamental forces. Yet, a major challenge persists: AI models trained on simulations or old experiment / astronomical survey often perform poorly when applied to new data exposing issues of dataset (domain) shift, model robustness, and uncertainty in predictions. This talk will introduce common challenges in applying AI across domains and present solutions based on domain adaptation a set of techniques designed to improve model generalization under domain shift. We will cover foundational ideas, practical strategies, and current research frontiers in this area. Through examples in astrophysics, we'll explore how domain adaptation can help bridge the gap between synthetic and real-world data, improve trust in model outputs, and advance scientific discovery.

Ciprijanvoic, Aleksandra [Fermilab] (ORCID:0000000↗
DOE OSTI2026

ShiftKit

ShiftKit is a modular, science-focused domain adaptation framework for PyTorch, built around clean interfaces for fast implementation of different deep learning architectures, datasets, and domain adaptation methods.

Ciprijanovic, Aleksandra [Fermi National Accelerat↗
DOE OSTI2022

Adapting the Technology Performance Level Integrated Assessment Framework to Low-TRL Technologies Within the Carbon Capture, Utilization, and Storage Industry, Part I

With the urgent need to mitigate climate change and rising global temperatures, technological solutions that reduce atmospheric CO 2 are an increasingly important part of the global solution. As a result, the nascent carbon capture, utilization, and storage (CCUS) industry is rapidly growing with a plethora of new technologies in many different sectors. There is a need to holistically evaluate these new technologies in a standardized and consistent manner to determine which technologies will be the most successful and competitive in the global marketplace to achieve decarbonization targets. Life cycle assessment (LCA) and techno-economic assessment (TEA) have been employed as rigorous methodologies for quantitatively measuring a technology's environmental impacts and techno-economic performance, respectively. However, these metrics evaluate a technology's performance in only three dimensions and do not directly incorporate stakeholder needs and values. In addition, technology developers frequently encounter trade-offs during design that increase one metric at the expense of the other. The technology performance level (TPL) combined indicator provides a comprehensive and holistic assessment of an emerging technology's potential, which is described by its techno-economic performance, environmental impacts, social impacts, safety considerations, market/deployability opportunities, use integration impacts, and general risks. TPL incorporates TEA and LCA outputs and quantifies the trade-offs between them directly using stakeholder feedback and requirements. In this article, the TPL methodology is being adapted from the marine energy domain to the CCUS domain. Adapted metrics and definitions, a stakeholder analysis, and a detailed foundation-based application of the systems engineering approach to CCUS are presented. The TPL assessment framework is couched within the internationally standardized LCA framework to improve technical rigor and acceptance. It is demonstrated how stakeholder needs and values can be directly incorporated, how LCA and TEA metrics can be balanced, and how other dimensions (listed earlier) can be integrated into a single metric that measures a technology's potential.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Unpaired image translation to mitigate domain shift in liquid argon time projection chamber detector responses

Deep learning algorithms often are developed and trained on a training dataset and deployed on test datasets. Any systematic difference between the training and a test dataset may severely degrade the final algorithm performance on the test dataset—what is known as the domain shift problem . This issue is prevalent in many scientific domains where algorithms are trained on simulated data but applied to real-world datasets. Typically, the domain shift problem is solved through various domain adaptation (DA) methods. However, these methods are often tailored for a specific downstream task, such as classification or semantic segmentation, and may not easily generalize to different tasks. This work explores the feasibility of using an alternative way to solve the domain shift problem that is not specific to any downstream algorithm. The proposed approach relies on modern Unpaired Image-to-Image (UI2I) translation techniques, designed to find translations between different image domains in a fully unsupervised fashion. In this study, the approach is applied to a domain shift problem commonly encountered in Liquid Argon Time Projection Chamber (LArTPC) detector research when seeking a way to translate samples between two differently distributed LArTPC detector datasets deterministically. This translation allows for mapping real-world data into the simulated data domain where the downstream algorithms can be run with much less domain-shift-related performance degradation. Conversely, using the translation from the simulated data to a real-world domain can increase the realism of the simulated dataset and reduce the magnitude of any systematic uncertainties. To evaluate the quality of the translations, we use both pixel-wise metrics and a downstream task to measure the effectiveness of UI2I methods for mitigating the domain shift problem. We adapted several popular UI2I translation algorithms to work on scientific data and demonstrated the viability of these techniques for solving the domain shift problem with LArTPC detector data. To facilitate further development of DA techniques for scientific datasets, the ‘Simple Liquid-Argon Track Samples’ dataset used in this study is also published.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Contrastive learning for robust representations of neutrino data

In neutrino physics, analyses often depend on large simulated datasets, making it essential for models to generalize effectively to real-world detector data. Contrastive learning, a well-established technique in deep learning, offers a promising solution to this challenge. By applying controlled data augmentations to simulated data, contrastive learning enables the extraction of robust and transferable features. This improves the ability of models trained on simulations to adapt to real experimental data distributions. In this paper, we investigate the application of contrastive learning methods in the context of neutrino physics. Through a combination of empirical evaluations and theoretical insights, we demonstrate how contrastive learning enhances model performance and adaptability. Additionally, we compare it to other domain adaptation techniques, highlighting the unique advantages of contrastive learning for this field. Published by the American Physical Society 2025

Wilkinson, Alex (ORCID:0000000253404506)↗
DOE OSTI2025

Finding Real Uncertainties From Physical Simulations

Modeling strong gravitational lenses is computationally expensive for the complex data from modern and next-generation cosmic surveys. Deep learning has emerged as a promising approach for finding lenses and predicting lensing parameters, such as the Einstein radius. Mean-variance Estimators (MVEs) are a common approach for obtaining aleatoric (data) uncertainties from a neural network prediction. However, neural networks have not been demonstrated to perform well on out-of-domain target data successfully - e.g., when trained on simulated data and applied to real, observational data. In this work, we perform the first study of the efficacy of MVEs in combination with unsupervised domain adaptation (UDA) on strong lensing data. The source domain data is noiseless, and the target domain data has noise mimicking modern cosmology surveys. We find that adding UDA to MVE increases the accuracy on the target data by a factor of about two over an MVE model without UDA. Including UDA also permits much more well-calibrated aleatoric uncertainty predictions. Advancements in this approach may enable future applications of MVE models to real observational data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Methods for evaluation and treatment of data shift

This is a code repository for a set of tools for detecting and mitigating data shifts in machine learning. The goal of the tools is to provide capabilities for determining when new data sets differ from training data sets and for adapting existing models to new data or correcting data shifts (via domain adaptation). The components will be written in Python, a high-level programming language that takes advantage of the Python ecosystem of high-quality open-source packages for machine learning and signal processing.

Parikh, Nidhi↗
DOE OSTI2023

Domain-adversarial graph neural networks for Λ hyperon identification with CLAS12

Machine learning methods and in particular Graph Neural Networks (GNNs) have revolutionized many tasks within the high energy physics community. Particularly in the realm of jet tagging, GNNs and domain adaptation have been especially successful. However, applications with lower energy events have not received as much attention. Here, we report on the novel use of GNNs and a domain-adversarial training method to identify Λ hyperon events with the CLAS12 experiment at Jefferson Lab. The GNN method we have developed increases the purity of the Λ yield by a factor of 1.95 and by 1.82 using the domain-adversarial training. This work also provides a good benchmark for developing event tagging machine learning methods for the Λ and other channels at CLAS12 and other experiments, such as the planned Electron Ion Collider.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity

ASH1L histone methyltransferase plays a crucial role in the pathogenesis of different diseases, including acute leukemia. While ASH1L represents an attractive drug target, developing ASH1L inhibitors is challenging, as the catalytic SET domain adapts an inactive conformation with autoinhibitory loop blocking the access to the active site. Here, by applying fragment-based screening followed by medicinal chemistry and a structure-based design, we developed first-in-class small molecule inhibitors of the ASH1L SET domain. The crystal structures of ASH1L-inhibitor complexes reveal compound binding to the autoinhibitory loop region in the SET domain. When tested in MLL leukemia models, our lead compound, AS-99, blocks cell proliferation, induces apoptosis and differentiation, downregulates MLL fusion target genes, and reduces the leukemia burden in vivo. This work validates the ASH1L SET domain as a druggable target and provides a chemical probe to further study the biological functions of ASH1L as well as to develop therapeutic agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

MimicGAN: Robust Projection onto Image Manifolds with Corruption Mimicking

In the past few years, Generative Adversarial Networks (GANs) have dramatically advanced our ability to represent and parameterize high-dimensional, non-linear image manifolds. As a result, they have been widely adopted across a variety of applications, ranging from challenging inverse problems like image completion, to problems such as anomaly detection and adversarial defense. A recurring theme in many of these applications is the notion of projecting an image observation onto the manifold that is inferred by the generator. In this context, Projected Gradient Descent (PGD) has been the most popular approach, which essentially optimizes for a latent vector that minimizes the discrepancy between a generated image and the given observation. However, PGD is a brittle optimization technique that fails to identify the right projection (or latent vector) when the observation is corrupted, or perturbed even by a small amount. Such corruptions are common in the real world, for example images in the wild come with unknown crops, rotations, missing pixels, or other kinds of non-linear distributional shifts which break current encoding methods, rendering downstream applications unusable. To address this, we propose corruption mimicking—a new robust projection technique, that utilizes a surrogate network to approximate the unknown corruption directly at test time, without the need for additional supervision or data augmentation. The proposed method is significantly more robust than PGD and other competing methods under a wide variety of corruptions, thereby enabling a more effective use of GANs in real-world applications. Finally, more importantly, we show that our approach produces state-of-the-art performance in several GAN-based applications—anomaly detection, domain adaptation, and adversarial defense, that benefit from an accurate projection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Regional-scale soil carbon predictions can be enhanced by transferring global-scale soil–environment relationships

Accurate modelling and mapping soil organic carbon are crucial for supporting soil health restoration and climate change mitigation at both regional and global scales. However, regional soil predictions often suffer from data scarcity and high prediction uncertainty. Utilizing a pre-trained global-to-regional soil carbon predictive model can be a potential solution to address this challenge. Despite its promise, how to construct and apply the global-scale model to enhance regional-scale soil carbon mapping remains largely unexplored. Here, we propose the Global Soil Carbon Pre-trained Model (GSoilCPM), a deep-learning-based domain adaptative model, to enhance regional-scale soil carbon predictions. Based on large amount of environmental covariate data and 106,167 soil samples across the globe, we verify our hypothesis of the effectiveness of this 'global-to-regional' modelling strategy. The pre-trained model can be then transferred and fine-tuned to bridge the regional- and global-scale soil–environment relationships. We applied and validated this modelling strategy in four regional-scale study areas, three in the Northern Hemisphere and one in the Southern Hemisphere, each with distinct environmental background. Compared to traditional modelling approaches as a baseline, four case studies all demonstrated significant improvement in prediction accuracy across diverse environments and varying data availabilities. The average percentage improvement across all regions is 10.93% (absolute values decreased by 1.20 g kg−1 averagely) in MAE and 29.04% (absolute values increased by 0.10 averagely) in CCC. The applicability and future horizons of using GSoilCPM were further discussed. We further reveal that regions with fewer soil samples or lower baseline accuracy benefit more from the pre-trained global model. Our findings highlight the advantages of leveraging the generalized knowledge from global models to enhance specifically localized soil modelling, positioning a potential paradigm shift in digital soil mapping, and far-reaching implications for soil monitoring and land management.

Deep learning↗
DOE OSTI2025

DeFault: DEep‐Learning‐Based FAULT Delineation Using the IBDP Passive Seismic Data at the Decatur CO2 Storage Site

Abstract The carbon capture, utilization, and storage (CCUS) framework is an essential component in reducing greenhouse gas emissions, with its success hinging on the comprehensive knowledge of subsurface geology and geomechanics. Passive seismic event relocation and fault detection offer vital insights into subsurface structures and the ability to monitor fluid migration pathways. Accurate identification and localization of seismic events, however, face significant challenges, including the necessity for high‐quality seismic data and advanced computational methods. To address these challenges, we introduce a novel deep learning method, , specifically designed for passive seismic source relocation and fault delineating for passive seismic monitoring projects. By leveraging data domain‐adaptation, allows us to train a neural network with labeled synthetic data and apply it directly to field data. Using , the passive seismic sources are automatically clustered based on their recording time and spatial locations, and subsequently, faults and fractures are delineated accordingly. We demonstrate the efficacy of on a field case study involving injection related microseismic data from Decatur, Illinois area. Our approach accurately and efficiently relocated passive seismic events, identified faults and could aid in potential damage induced by seismicity. Our results highlight the potential of as a valuable tool for passive seismic monitoring, emphasizing its role in ensuring CCUS project safety. This research bolsters the understanding of subsurface characterization in CCUS, illustrating machine learning’s capacity to refine these methods. Ultimately, our work has significant implications for CCUS technology deployment, an essential strategy in combating climate change. Plain Language Summary In our quest to tackle climate change, we use a strategy known as carbon capture, utilization, and storage (CCUS) to keep greenhouse gases out of the atmosphere. This strategy relies heavily on our ability to understand what's happening deep under the earth's surface. To make sure we store super critical safely, we need to accurately map out the geological structure, especially faults, but this is tough without high‐quality data and complex computer programs. We've developed a new tool called “DeFault,” which uses advanced machine learning to improve how we find and map these underground features. “DeFault” is smart enough to learn from numerically simulated data and then apply what it’s learned to real‐world situations. It groups together seismic activity—tiny tremors and shifts in the earth—based on when and where they happen, which helps us spot where there might be cracks or faults. We tested “DeFault” in Illinois, where CO 2 is injected underground, and it successfully pinpointed where these tremors occurred and mapped out the faults, helping to prevent accidents accurately in the future. Our study shows that “DeFault” will be a powerful ally in making CCUS safer and more effective, especially for the Illinois Basin Decatur Project. Key Points Faults and fractures introduced by carbon storage can be monitored by passive seismicity DeFault algorithm enables an automatic process for accurate and efficient passive seismic event locating and clustering

58 GEOSCIENCES↗
DOE OSTI2020

A deep neural network to search for new long-lived particles decaying to jets

A tagging algorithm to identify jets that are significantly displaced from the proton-proton (pp) collision region in the CMS detector at the LHC is presented. Displaced jets can arise from the decays of long-lived particles (LLPs), which are predicted by several theoretical extensions of the standard model. The tagger is a multiclass classifier based on a deep neural network, which is parameterised according to the proper decay length $\mathrm{c}\tau_0$ of the LLP. A novel scheme is defined to reliably label jets from LLP decays for supervised learning. Samples of pp collision data, recorded by the CMS detector at a centre-of-mass energy of 13 TeV, and simulated events are used to train the neural network. Domain adaptation by backward propagation is performed to improve the simulation modelling of the jet class probability distributions observed in pp collision data. The potential performance of the tagger is demonstrated with a search for long-lived gluinos, a manifestation of split supersymmetric models. The tagger provides a rejection factor of 10 000 for jets from standard model processes, while maintaining an LLP jet tagging efficiency of 30-80% for gluinos with 1 mm $\leq$ $c\tau_0$ $\leq$ 10 m. The expected coverage of the parameter space for split supersymmetry is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Constrained GAN-Generated X-Ray CT Data For Self-Supervised And Foundation-Model Segmentation Of Concrete Microstructures

Three-dimensional characterization of materials using X-ray computed tomography (XCT) is challenging due to the complexity of internal structures, noise, and variations in resolution. Traditional computer vision models often struggle to accurately segment these images, particularly in domain-specific applications like materials science. While supervised deep learning approaches have been developed to address the limitations of conventional algorithms, they typically require large amounts of labeled training data and often fail to generalize across different datasets. Self-supervised, few-and zero-shot learning methods have gained prominence in natural image processing and segmentation tasks, but their application to scientific imaging remains limited due to the unique structural complexity, noise, and textural artifacts present in materials science data. In this work, we investigate how domain adaptation, leveraging physics-based and GAN-generated synthetic data, impacts segmentation performance. We introduce a modified Contrastive Unpaired Translation (CUT) model designed to generate realistic labeled data, which can be used for training, pre-training, and fine-tuning segmentation models for real XCT microstructure data. We evaluate the performance of two segmentation approaches: a self-supervised network (SSL-ALPNet) and a foundation model (Segment Anything Model), assessing their improvements when pre-trained and/or fine-tuned on the synthesized data. Our results demonstrate that leveraging synthetic data significantly enhances segmentation performance, particularly in challenging materials science applications.

Ziabari, Amir [ORNL] (ORCID:000000034776457X)↗