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At least 37 records · Page 2

Pre-training Vision Models for the Classification of Alerts from Wide-field Time-domain Surveys

Modern wide-field time-domain surveys facilitate the study of transient, variable and moving phenomena by conducting image differencing and relaying alerts to their communities. Machine learning tools have been used on data from these surveys and their precursors for more than a decade, and convolutional neural networks (CNNs), which make predictions directly from input images, saw particularly broad adoption through the 2010s. Since then, continually rapid advances in computer vision have transformed the standard practices around using such models. It is now commonplace to use standardized architectures pre-trained on large corpora of everyday images (e.g., ImageNet). In contrast, time-domain astronomy studies still typically design custom CNN architectures and train them from scratch. Here, we explore the effects of adopting various pre-training regimens and standardized model architectures on the performance of alert classification. We find that the resulting models match or outperform a custom, specialized CNN like what is typically used for filtering alerts. Moreover, our results show that pre-training on galaxy images from Galaxy Zoo tends to yield better performance than pre-training on ImageNet or training from scratch. We observe that the design of standardized architectures are much better optimized than the custom CNN baseline, requiring significantly less time and memory for inference despite having more trainable parameters. On the eve of the Legacy Survey of Space and Time and other image-differencing surveys, these findings advocate for a paradigm shift in the creation of vision models for alerts, demonstrating that greater performance and efficiency, in time and in data, can be achieved by adopting the latest practices from the computer vision field.

79 ASTRONOMY AND ASTROPHYSICS

AI-Driven Crack Detection for Remanufacturing Cylinder Heads Using Deep Learning and Engineering-Informed Data Augmentation

Detecting cracks in cylinder heads traditionally relies on manual inspection, which is time-consuming and susceptible to human error. As an alternative, automated object detection utilizing computer vision and machine learning models has been explored. However, these methods often face challenges due to a lack of sufficiently annotated training data, limited image diversity, and the inherently small size of cracks. Addressing these constraints, this paper introduces a novel automated crack-detection method that enhances data availability through a synthetic data generation technique. Unlike general data augmentation practices, our method involves copying cracks from one location to another, guided by both random and informed engineering decisions about likely crack formations due to cyclic thermomechanical loads. The innovative aspect of our approach lies in the integration of domain-specific engineering knowledge into the synthetic generation process, which substantially improves detection accuracy. We evaluate our method’s effectiveness using two metrics: the F2 score, which emphasizes recall to prioritize detecting all potential cracks, and mean average precision (MAP), a standard measure in object detection. Experimental results demonstrate that, without engineering insights, our method increases the F2 score from 0.40 to 0.65, while maintaining a stable MAP. Incorporating detailed engineering knowledge further enhances the F2 score to 0.70 and improves MAP to 0.57, representing increases of 63% and 43%, respectively. These results confirm that our approach not only mitigates the limitations of traditional data augmentation but also significantly advances the reliability and precision of crack detection in industrial settings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Foundation Models for Zero-Shot Segmentation of Scientific Images without AI-Ready Data

Zero-shot and prompt-based models have excelled at visual reasoning tasks by leveraging large-scale natural image corpora, but they often fail on sparse and domain-specific scientific image data. We introduce Zenesis, a no-code interactive computer vision platform designed to reduce data readiness bottlenecks in scientific imaging workflows. Zenesis integrates lightweight multimodal adaptation for zero-shot inference on raw scientific data, human-in-the-loop refinement, and heuristic-based temporal enhancement. We validate our approach on Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) datasets of catalyst-loaded membranes. Zenesis outperforms baselines, achieving an average accuracy of 0.947, Intersection over Union (IoU) of 0.858, and Dice score of 0.923 on amorphous catalyst samples; and 0.987 accuracy, 0.857 IoU, and 0.923 Dice on crystalline samples. These results represent a significant performance gain over conventional methods such as Otsu thresholding and standalone models like the Segment Anything Model (SAM). Zenesis enables effective image segmentation in domains where annotated datasets are limited, offering a scalable solution for scientific discovery.

Mukherjee, Shubhabrata

Hydra: An AI-Based Framework for Interpretable and Portable Data Quality Monitoring

Hydra is an advanced framework designed for training and managing AI models for near real time data quality monitoring at Jefferson Lab. Deployed in all four experimental halls, Hydra has analyzed over 2 million images and has extended its capabilities to offline monitoring and validation. Hydra utilizes computer vision to continually analyze sets of images of monitoring plots generated 24/7 during experiments. Generally, these sets of images are produced at a rate and quantity that is exceedingly difficult for shift crews to effectively monitor. Significant effort has been devoted to enhancing Hydra’s user interface, to ensure that it provides clear, actionable insights for shift workers and other users. Gradient Weighted Class Activation Maps (GradCAM) provide added interpretability, allowing users to visualize important regions of the image for classification. Hydra has been containerized to enable the creation of portable demos and seamless integration with container-based technologies such as Kubernetes and Docker. With the user interface enhancements and containerization, Hydra can be rapidly deployed for new use cases and experiments. This talk will describe the Hydra framework, its user interface and experience, and the challenges inherent in its design and deployment.

Britton, Thomas [Thomas Jefferson National Acceler

AI-Driven Accelerated Inclusion Analysis for Energy Efficient Steelmaking (Final CRADA Report)

This was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and ArcelorMittal USA Research LLC (“ArcelorMittal” as the Participant), to use scanning electron microscopy (SEM) images, computer vision and machine learning methods, and high-performance computing to accelerate the inclusion analysis process of liquid steel so that new methods can be used for near-real time process control on the shop floor.

36 MATERIALS SCIENCE

GIScience in the era of Artificial Intelligence: a research agenda towards Autonomous GIS

The advent of generative AI exemplified by large language models (LLMs) opens new ways to represent and compute geographic information and transcends the process of geographic knowledge production, driving geographic information systems (GIS) towards autonomous GIS. Leveraging LLMs as the decision core, autonomous GIS can independently generate and execute geoprocessing workflows to perform spatial analysis. In this vision paper, we further elaborate on the concept of autonomous GIS and present a conceptual framework that defines its five autonomous goals, five levels of autonomy, five core functions, and three operational scales. We demonstrate how autonomous GIS could perform geospatial data retrieval, spatial analysis, and map making with four proof-of-concept GIS agents. We conclude by identifying critical challenges and future research directions, including fine-tuning and self-growing decision-cores, autonomous modelling, and examining the societal and practical implications of autonomous GIS. By establishing the groundwork for a paradigm shift in GIScience, this paper envisions a future where GIS moves beyond traditional workflows to autonomously reason, derive, innovate, and advance geospatial solutions to pressing global challenges. Meanwhile, we emphasize that as we design and deploy increasingly intelligent geospatial systems, we carry a responsibility to ensure they are developed in socially responsible ways, serve the public good, and support the continued value of human geographic insight in an AI-augmented future.

Autonomous GI

Cooling Matters: Benchmarking Large Language Models and Vision-Language Models on Liquid-Cooled Versus Air-Cooled H100 GPU Systems

The unprecedented growth in artificial intelligence (AI) workloads, recently dominated by large language models (LLMs) and vision-language models (VLMs), has intensified power and cooling demands in data centers. This study benchmarks LLMs and VLMs on two HGX nodes, each with 8× NVIDIA H100 graphics processing units (GPUs), using liquid and air cooling. Leveraging GPU Burn, Weights & Biases, and IPMItool, we collect detailed thermal, power, and computation data. Results show that the liquid-cooled systems maintain GPU temperatures between 41-50$^\circ$C, while the air-cooled counterparts fluctuate between 54-72$^\circ$C under load. This thermal stability of liquid-cooled systems yields 17% higher performance (54 TFLOPs/ GPU vs. 46 TFLOPs/GPU), performance-per-watt, reduced energy overhead, and greater system efficiency than the air-cooled counterparts. These findings underscore the energy and sustainability benefits of liquid cooling, offering a compelling path forward for hyperscale data centers seeking to optimize AI infrastructure. https://github.com/iscaas/Cooling-Matters.

Latif, Imran

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) [SWR-25-100]

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) provides an advanced Python-based tool, primarily designed for use in a Jupyter/Colab notebook, for the quantitative morphological analysis of pre-segmented shapes. While developed for analyzing PEM catalyst layers from microscopy, its methodology is suitable for characterizing any grayscale object provided on a uniform white background. The tool uses a robust computer vision pipeline based on the Euclidean Distance Transform and skeletonization to accurately measure local thickness and tortuosity, providing a comprehensive characterization of an object's geometry and internal texture. If you find this code useful, please cite our preprint as: Chan, Ai-Lin and Hayden, Steven and Harvey, Steven P. and Smeaton, Michelle and Okrucky, Caleb and Watt, John and Ulična, Soňa and Spurgeon, Steven and Jungjohann, Katherine and Alia, Shaun, Mechanism-informed breakdown: understanding degradation by controlling voltage hold patterns in PEM water electrolyzers. Preprint (2025).

Spurgeon, Steven [National Laboratory of the Rocki

Exocortex Network for AI-Augmented Human-Led Scientific Expedition

AI advances in science can be viewed along two main directions with a fluid boundary: enhancing efficiency through automation and smart tools to accelerate tasks that humans can already perform; and enabling exploration into uncharted territories and potentially toward AGI. These advances manifest in the AI cognitive core through the development and explainability of foundation models; in the physical embodiment of instruments and facilities; and in the integrated agency of AI workflows exemplified by the science exocortex. To address the role of humans in this evolving landscape, in this Perspective, we suggest a third direction: the development of personalized agents that form human-centered networks, supporting both efficiency and exploration while ensuring that AI remains aligned with human vision.

97 MATHEMATICS AND COMPUTING

Future Generation High Performance Computing Center (FG-HPCC): RFI Technical Considerations

Lawrence Livermore National Security, LLC (LLNS) is interested in receiving information about technologies that could be available in the 2029-2030 timeframe that may serve to enable the vision for a Future Generation High Performance Computing (HPC) Center (FG-HPCC) described in this document. The future HPC Center vision has been conceived to meet the future mission needs of the Advanced Simulation and Computing (ASC) Program within the National Nuclear Security Administration (NNSA). LLNS envisions a center composed not of many independent clusters, but of heterogeneous elements accessible to users as a single system. The capabilities will be integrated to create a scalable, flexible, yet tightly coupled computing center capable of integrated HPC, AI, and cloud-like workloads.

97 MATHEMATICS AND COMPUTING

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

In materials science, plant biology, agriculture, and environmental research, the automated analysis of high-magnification, complex microscopy images, such as those generated by freeze-fracture electron microscopy (FF-TEM), remains a critical challenge that limits the scalability of data interpretation. We present a deep learning computer vision pipeline for high-throughput detection and morphological characterization analysis of cellulose synthase complexes (CSCs, or rosettes) in FF-TEM images. The pipeline integrates preprocessing, detection, human-in-the-loop verification, and semantic segmentation to quantify features such as rosette diameter and inter-lobe spacing. The approach was trained and tested on a curated dataset of high-resolution FF-TEM micrographs of Physcomitrium patens, expanded via strategic tiling and augmentation to over 650 images. We compare YOLOv8 and YOLOv9 architectures and demonstrate that YOLOv9 achieves superior performance in both localization accuracy (mAP50-95 = 0.854) and inference speed. The resulting distributions revealed biological variability consistent with prior manual studies, validating the approach for high-throughput applications. Our results show that the pipeline achieves human-expert level accuracy while dramatically reducing analysis time, enabling scalable, reproducible structural characterization of intramembrane protein complexes. The pipeline is broadly applicable to other domains requiring precise interpretation of complex microscopy data and establishes a foundation for future artificial intelligence (AI)-assisted workflows in biological imaging.

59 BASIC BIOLOGICAL SCIENCES

Plant Design for a Developing Bioeconomy Workshop Report: Frontier Science for the Bioeconomy Workshop Series

Recent advances in fundamental plant biology research, synthetic biology, and artificial intelligence (AI) are unlocking powerful new capabilities in plant biodesign, offering unprecedented potential to reimagine plants as programmable platforms for resource-efficient production of bioenergy, biomaterials, chemicals, and more. The U.S. Department of Energy (DOE) convened the Plant Design for a Developing Bioeconomy virtual workshop on March 12 through 14, 2025, to bring together leaders across plant science, engineering, and computation to assess the current landscape and define a bold vision for future research. Discussions during the workshop built upon findings included in DOE’s Biological and Environmental Research (BER) workshop report Overcoming Barriers in Plant Transformation: A Focus on Bioenergy Crops (U.S. DOE 2024; genomicscience. energy.gov/plant-transformation). Participants identified critical knowledge gaps, technical barriers, and emerging opportunities in the design and engineering of plant systems to support a robust, resilient domestic bioeconomy aligned with DOE’s mission.

09 BIOMASS FUELS

Pixel-Resolved Long-Context Learning for Turbulence at Exascale: Resolving Small-scale Eddies Toward the Viscous Limit

Turbulence plays a crucial role in multiphysics applications, including aerodynamics, fusion, and combustion. Accurately capturing turbulence's multiscale characteristics is essential for reliable predictions of multiphysics interactions, but remains a grand challenge even for exascale supercomputers and advanced deep learning models. The extreme-resolution data required to represent turbulence, ranging from billions to trillions of grid points, pose prohibitive computational costs for models based on architectures like vision transformers. To address this challenge, we introduce a multiscale hierarchical Turbulence Transformer that reduces sequence length from billions to a few millions and a novel RingX sequence parallelism approach that enables scalable long-context learning. We perform scaling and science runs on the Frontier supercomputer. Our approach demonstrates excellent performance up to 1.1 EFLOPS on 32,768 AMD GPUs, with a scaling efficiency of 94\%. To our knowledge, this is the first AI model for turbulence that can capture small-scale eddies down to the dissipative range in three-dimensional turbulence at high Reynolds numbers.

Yin, Junqi [ORNL] (ORCID:0000000338435520)

Vision Foundation Models in Remote Sensing: A survey

Artificial intelligence (AI) technologies have profoundly transformed the field of remote sensing (RS), revolutionizing data collection, processing, and analysis. Traditionally reliant on manual interpretation and task-specific models, RS research has been significantly enhanced by the advent of foundation models (FMs)—large-scale pretrained AI models capable of performing a wide array of tasks with unprecedented accuracy and efficiency. This article provides a comprehensive survey of FMs in the RS domain. We categorize these models based on their architectures, pretraining datasets, and methodologies. Through detailed performance comparisons, we highlight emerging trends and the significant advancements achieved by those FMs. Additionally, we discuss technical challenges, practical implications, and future research directions, addressing the need for high-quality data, computational resources, and improved model generalization. Our research also finds that pretraining methods, particularly self-supervised learning (SSL) techniques like contrastive learning (CL) and masked autoencoders (MAEs), remarkably enhance the performance and robustness of FMs. This survey aims to serve as a resource for researchers and practitioners by providing a panorama of advances and promising pathways for the continued development and application of FMs in RS.

data models

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing this vision requires both providing detailed uncertainty quantification (model prediction errors and domain of applicability) and making models readily usable. At present, it is common practice in the community to assess ML model performance only in terms of prediction accuracy (e.g. mean absolute error), while neglecting detailed uncertainty quantification and robust model accessibility and usability. Here, we demonstrate a practical method for realizing both uncertainty and accessibility features with a large set of models. We develop random forest ML models for 33 materials properties spanning an array of data sources (computational and experimental) and property types (electrical, mechanical, thermodynamic, etc). All models have calibrated ensemble error bars to quantify prediction uncertainty and domain of applicability guidance enabled by kernel-density-estimate-based feature distance measures. All data and models are publicly hosted on the Garden-AI infrastructure, which provides an easy-to-use, persistent interface for model dissemination that permits models to be invoked with only a few lines of Python code. We demonstrate the power of this approach by using our models to conduct a fully ML-based materials discovery exercise to search for new stable, highly active perovskite oxide catalyst materials.

domain of applicability

RingX: Scalable Parallel Attention for Long-Context Learning on HPC

The attention mechanism has become foundational for remarkable AI breakthroughs since the introduction of the Transformer, driving the demand for increasingly longer context to power frontier models such as large-scale reasoning language models and high-resolution image/video generators. However, its quadratic computational and memory complexities present substantial challenges. Current state-of-the-art parallel attention methods, such as ring attention, are widely adopted for long-context training but utilize a point-to-point communication strategy that fails to fully exploit the capabilities of modern HPC network architectures. In this work, we propose ringX, a scalable family of parallel attention methods optimized explicitly for HPC systems. By enhancing workload partitioning, refining communication patterns, and improving load balancing, ringX achieves up to 3.4 × speedup compared to conventional ring attention on the Frontier supercomputer. Optimized for both bi-directional and causal attention mechanisms, ringX demonstrates its effectiveness through training benchmarks of a Vision Transformer (ViT) on a climate dataset and a Generative Pre-Trained Transformer (GPT) model, Llama3 8B. Our method attains an end-to-end training speedup of approximately 1.5 × in both scenarios. To our knowledge, the achieved 38% model FLOPs utilization (MFU) for training Llama3 8B with a 1M-token sequence length on 4,096 GPUs represents one of the highest training efficiencies reported for long-context learning on HPC systems. Our code implementation is available at https://github.com/jqyin/ringX-attention.

Yin, Junqi [ORNL] (ORCID:0000000338435520)

A Scalable Real-Time Data Assimilation Framework for Predicting Turbulent Atmosphere Dynamics

AI-based foundation models like FourCastNet, GraphCast are revolutionizing weather and climate predictions but are not yet ready for operational use. Their limitation lies in the absence of a data assimilation system to incorporate real-time Earth system observations, crucial for accurately forecasting events like tropical cyclones. To overcome these obstacles, we introduce a generic real-time data assimilation framework and demonstrate its end-to-end performance on the Frontier supercomputer. This framework comprises two primary modules: an ensemble score filter (EnSF), which significantly outperforms the state-of-the-art data assimilation method, and a vision transformer-based surrogate capable of real-time adaptation through the integration of observational data. We demonstrate both the strong and weak scaling of our framework up to 1024 GPUs on the Exascale supercomputer, Frontier. Our results not only illustrate the framework's exceptional scalability on high-performance computing systems, but also demonstrate the importance of supercomputers in real-time data assimilation for weather and climate predictions.

Lu, Dan