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At least 253 records · Page 14

ORBIT-2: Scaling Exascale Vision Foundation Models for Weather and Climate Downscaling

Sparse observations and coarse-resolution climate models limit effective regional decision-making, underscoring the need for robust downscaling. However, existing AI methods struggle with generalization across variables and geographies and are constrained by the quadratic complexity of Vision Transformer (ViT) self-attention. We introduce ORBIT-2, a scalable foundation model for global, hyper-resolution climate downscaling. ORBIT-2 incorporates two key innovations: (1) Residual Slim ViT (Reslim), a lightweight architecture with residual learning and Bayesian regularization for efficient, robust prediction; and (2) TILES, a tile-wise sequence scaling algorithm that reduces self-attention complexity from quadratic to linear, enabling long-sequence processing and massive parallelism. ORBIT-2 scales to 10 billion parameters across 65,536 GPUs, achieving up to 4.1 ExaFLOPS sustained throughput and 74–98% strong scaling efficiency. It supports downscaling to 0.9 km global resolution and processes sequences up to 4.2 billion tokens. On 7 km resolution benchmarks, ORBIT-2 achieves high accuracy with R2 scores in range of 0.98–0.99 against observation data.

Wang, Xiao [ORNL] (ORCID:0000000165451943)↗

CORE-BFS: Communication-Optimized REctangular-partitioned BFS Achieving 160.845 TeraTEPS on Frontier Supercomputer

Distributed Breadth-First Search (BFS) is fundamental to many large-scale graph applications, but its performance on parallel systems is often limited by high communication overhead. This paper presents CORE-BFS, an extremely scalable GPU-based BFS implementation that introduces a unique rectangular 2D partitioning-based design for Frontier supercomputer. To further improve performance, we propose four key optimizations: (1) Rectangular 2D-partition specific data formats that use two compressed row and one compressed column status array bitmaps combined with a Double Compressed Sparse Row (DCSR) format per partition, reducing memory footprint and inter-rank traffic; (2) Adaptive frontier & communication strategy that unifies top-down and bottom-up traversal on the rectangular layout, uses lazy synchronization in top-down levels, and switches variants based on frontier size to minimize communication overhead; (3) Frontier-split degree-aware update that maps frontier vertices to thread-centric, wavefront-centric, and block-centric kernels based on their degree to improve GPU utilization and memory coalescing; (4) Row-reduction pipeline that overlaps bottom-up adjacency list processing with row-wise bitmap reduction to hide inter-rank latency. Together, these techniques increase parallelism while reducing memory and communication overhead. On the Graph500 benchmark, CORE - BFS scales up to 9,248 Frontier nodes with scale-42 graphs and reaches 160.845 TTEPS, delivering a 5.42 × speedup over our previous Frontier implementation.

Yang, Haoshen [Rutgers University]↗

Recent Developments in Lithium-Manganese-Nickel Oxide Electrochemistry: The Alchemy of LiMn 0.5 Ni 0.5 O 2

Efforts have been underway for some time at Argonne National Laboratory to design structurally integrated and stabilized lithium-manganese-nickel-oxide cathode materials. The goal has been to find a cobalt-free, high-capacity cathode for a Li-ion battery that is competitive, both cost- and energy-wise, with lithium-nickel-manganese-cobalt-oxide (NMC) and lithium-iron-phosphate (LFP) products. This brief synopsis highlights the remarkable alchemy of LiMn 0.5 Ni 0.5 O 2 resulting from its well-known, slightly disordered layered structure and the recently discovered lithiated spinel phase and totally disordered rock-salt configurations. All three arrangements share a structurally compatible cubic-close-packed oxygen array. The lithiated spinel and layered components provide an intersecting network of two- and three-dimensional channels that facilitate Li + -ion transport, while a minor amount of an extensively disordered rock-salt component likely serves to enhance the structural and electrochemical stability of the electrode. The synopsis also encompasses the historical development of lithiated spinel electrode materials and structurally integrated systems.

Thackeray, Michael M. [Argonne National Laboratory↗

ORBIT-2 Weather and Climate Downscaling Software Repository

ORBIT-2 is a scalable foundation model for global, hyper-resolution climate and weather downscaling. ORBIT-2 incorporates two key innovations: (1) Residual Slim ViT (Reslim), a lightweight architecture with residual learning and Bayesian regularization for efficient, robust prediction; and (2) TILES, a tile-wise sequence scaling algorithm that reduces self-attention complexity from quadratic to linear, enabling long-sequence processing and massive parallelism. ORBIT-2 scales to 10 billion parameters across 65,536 GPUs, achieving up to 4.1 ExaFLOPS sustained throughput and 74–98% strong scaling efficiency. It supports downscaling to 0.9 km global resolution and processes sequences up to 4.2 billion tokens. On 7 km resolution benchmarks, ORBIT-2 achieves high accuracy with 𝑅2 scores in range of 0.98–0.99 against observation data.

Wang, Xiao [Oak Ridge National Laboratory]↗

Multitask graph neural networks for elastoplastic response prediction in dual-phase polycrystals

Microstructure-sensitive prediction of elastoplastic response remains a recurring bottleneck in multiscale damage and fatigue modeling, where large ensembles of statistically distinct polycrystals are required to quantify variability and extreme-value behavior. In this work, we develop a multitask graph neural network (GNN) surrogate that maps dual-phase ferrite–martensite polycrystal microstructures to Statistical Volume Element (SVE)-level elastoplastic Quantities of Interest (QoIs). Each SVE is represented as a grain-adjacency graph, with node features encoding phase, geometry, and crystallographic orientation, and edge features encoding relative misorientation. A message-passing graph convolution generates node embeddings, which are pooled into a graph representation and passed to a multitask regression head that jointly predicts 10 scalar QoIs and vector-valued stress–strain responses in orthogonal loading directions across multiple martensite volume fractions and SVE sizes. Results show high accuracy for scalar QoIs and strong agreement for full stress–strain trajectories, with population envelopes reproducing both median behavior and finite-SVE variability across compositions and partition scales. A unified model trained on pooled volume-fraction data preserves most within-regime accuracy relative to regime-specific models while also capturing the broader cross-regime variation reflected in the pooled test set. Distributional comparisons further demonstrate that the surrogate preserves heterogeneity under SVE partitioning, enabling statistically consistent block-wise random-field construction for mesoscale analyses. Overall, the proposed grain-graph surrogate provides a practical pathway to accelerate ensemble-based studies of SVE-level constitutive variability in dual-phase polycrystals.

Crystal plasticity↗

Eureka: Enabling Fine-Grained Access and Range Queries on Compressed Scientific Data via Data-Index Co-Compression

Handling large-scale scientific data in high-performance computing (HPC) environments poses significant challenges, including excessive I/O, high storage costs, and slow query performance. Traditional approaches often require full data decompression and scans, making them impractical for real-time or interactive analysis. To address these limitations, we introduce Eureka, a unified data-index co-compression framework that enables fine-grained access and efficient range queries on compressed scientific datasets. Eureka integrates spatial domain decomposition with block-wise error-bounded lossy compression to support selective decompression. It constructs a hierarchical AVL-tree index during compression to capture block-level value ranges, enabling fast pruning during query execution. To reduce metadata overhead, the index itself is also compressed while ensuring recall-preserving results. Experiments on six diverse HPC simulation datasets show that Eureka achieves up to 25x data compression and over 300x index compression, surpassing state-of-the-art compressors such as SZ3 and ZFP in rate-distortion performance. Additionally, Eureka delivers over 30x speedup for low-selectivity range queries, making it a scalable and efficient solution for modern scientific data analysis.

Yan, Ning↗

Order conditions for nonlinearly partitioned Runge-Kutta methods

Recently, a new class of nonlinearly partitioned Runge–Kutta (NPRK) methods was proposed for nonlinearly partitioned systems of autonomous ordinary differential equations y' = F(y, y). The target class of problems are those in which different scales, stiffnesses, or physics are coupled in a nonlinear way, wherein the desired partition cannot be written in a classical additive or component-wise fashion. Here we use a rooted-tree analysis to derive full-order conditions for NPRKM methods, where M denotes the number of nonlinear partitions. Due to the nonlinear coupling and thereby the mixed product differentials, it turns out that the standard node-colored rooted tree analysis used in analyzing ODE integrators does not naturally apply. Instead we develop a new edge-colored rooted-tree framework to address the nonlinear coupling. The resulting order conditions are enumerated, are provided directly for up to fourth order with M = 2 and third order with M = 3, and are related to existing order conditions of additive and partitioned RK methods. We conclude with an example that shows how the nonlinear order conditions can be used to obtain an embedded estimate of the state-dependent nonlinear coupling strength in a dynamical system.

97 MATHEMATICS AND COMPUTING↗

Comparative Assessment of U-Net-Based Deep Learning Models for Segmenting Microfractures and Pore Spaces in Digital Rocks

Segmentation of high-resolution X-ray microcomputed tomography (µCT) images is crucial in digital rock physics (DRP), affecting the characterization and analysis of microscale phenomena in the porous media. The complexity of geological structures and nonideal scanning conditions pose significant challenges to conventional image segmentation approaches. Motivated by the recent increasing popularity of deep learning (DL) techniques in image processing, this work undertakes a comparative study of DL models, specifically U-Net and its variants, for segmenting multiple targets with distinguished features in digital rocks, including discrete fracture networks (DFNs), pore spaces, and solid rock. Particularly, DFNs have a smaller volumetric fraction over others, bringing in a substantial challenge of imbalanced segmentation. The primary focus is to evaluate the architecture and feature enhancement strategies of various DL models, including U-Net, attention U-Net, residual U-Net, U-Net++, and residual U-Net++. The models were designed as 2.5D, utilizing a central 2D image and its two adjacent upper and lower 2D images as input to provide a pseudo-3D context. In addition, because the ground truth of segmentation was unknown for real-world digital rocks, we created a benchmark data set following the inverse operations of segmentation. The data synthesis started from the label images (i.e., solid rock, pore spaces, and DFNs), followed by simulating partial volume blurring, adding random background noise, and introducing ring artifacts to mimic real raw X-ray µCT images. The data set, which included various rock types (i.e., sandstone and artificial data), scanning resolution, and magnitudes of noise and artifacts, was divided into training and testing data sets with a 90% and 10% ratio, respectively. Moreover, in addition to the conventional pixel-wise evaluation metrics, the physics-based metric of the lattice-Boltzmann method (LBM) simulated permeability provided more comprehensive assessments. The results demonstrated that the residual connections, nested architectures, and redesigned skip connections contribute to the model performance and give the residual U-Net++ the highest accuracy. The improvements were mainly on the boundaries and small targets, especially the DFNs, which dominate the interconnectivity and therefore affect the permeability greatly. This study also rigorously evaluated the efficiency and generalization of each model, demonstrating that the sophisticated architectures achieved excellent practicability and maintained robust performance on completely unseen data, ensuring their suitability for diverse and challenging DRP applications.

58 GEOSCIENCES↗

Towards universal unfolding of detector effects in high-energy physics using denoising diffusion probabilistic models

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability, flexibility, and dependence on simulations. We introduce a novel approach to multidimensional object-wise unfolding using conditional Denoising Diffusion Probabilistic Models (cDDPM). Our method utilizes the cDDPM for a non-iterative, flexible posterior sampling approach, incorporating distribution moments as conditioning information, which exhibits a strong inductive bias that allows it to generalize to unseen physics processes without explicitly assuming the underlying distribution. Our results highlight the potential of this method as a step towards a "universal" unfolding tool that reduces dependence on truth-level assumptions, while enabling the unfolding of a wide range of measured distributions with improved adaptability and accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Extraction of Vibration Data with Imaging

To date, the primary sensing technology used to measure the vibration response has been accelerometers and strain gages mounted directly to the structure and using either wired or, more recently, wireless telemetry. Cost issues with these sensors and the associated data acquisition systems typically limit the numbers that are deployed on in situ structures. Although there are a few structures with larger sensing counts that in some cases exceed over 1000 sensors, more typical numbers range from ten to one hundred sensors resulting in low spatial resolution when they are applied to physically large systems. When one considers that nuclear power plant structures usually have complex geometries, material properties, connectivity and boundary conditions, it is clear these current approaches to vibration measurements can only provide limited information about a system’s dynamics response characteristics. As an alternative, many non-contact measurement technologies have emerged, including point wise measurement methods such as Global Positioning System (GPS), microwave interferometry, and laser Doppler vibrometry (LDV), as well as simultaneous full-field measurement methods such as electronic speckle pattern interferometry, holography interferometry, and muon tomography, some of which can provide high spatial resolution measurements. Among these methods, digital video imaging techniques have emerged as a feasible solution for full-field vibration measurements that provide significantly more detailed dynamic response information because every pixel becomes a measurement point. Furthermore, recent advances in image processing and computer vision algorithms have been successfully used to process video data for experimental and operational modal analysis. Such full-field measurements have the potential to significantly improve many current structural assessment procedures including system identification (modal parameter estimation), structural health monitoring, load reconstruction, model validation, and model updating. Furthermore, more recent full-field imaging techniques can be accomplished with relatively low-cost, commercially-available off-the-shelf cameras. However, these measurement procedures have other limitations that must be considered such as the ability to only measure visibly accessible points on a structure and a more limited dynamic range and bandwidth than can be achieved with accelerometers or strain gages.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power densities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

97 MATHEMATICS AND COMPUTING↗

Theory Manual for the Reaction Summary Module- SUMMAR

The post-processing module of DIF3D called SUMMAR was created to produce commonly used reactor engineering outputs. It is a optional output option for DIF3D and provides alternative summarizes of power, flux, and neutron balance over the user specified regions and areas. It can also provide isotope-wise microscopic and macroscopic reaction rates along with the effective one-group microscopic cross sections needed for solving the Bateman equations. This report serves as both the theory manual, user guide, and software verification of the SUMMAR module. The methodology and equations for all SUMMAR calculated parameters are presented here and discussed. Then the verification work, based upon simple DIF3D models, is presented to validate the derived equations. The SUMMAR inputs and outputs are detailed and examples are given to demonstrate it.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power desnities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Investigating the Potential and Limitations of Fast Scanning Calorimetry to Simulate the Laser Power Bed Fusion Coalescence Process

Laser-Based Powder Bed Fusion (PBF-LB) • PBF-LB is part of one of seven additive manufacturing techniques • Layer wise printing that selectively coalesces discrete powder particles into a solid object o Advantages: Low anisotropy, use of engineering grade materials o Weaknesses: lack of method standardization, challenges in controlled post print quality

Blackman, Malik A. [Georgia Inst. of Technology, A↗

Machine learning approaches for integrating multi-omics data to expand microbiome annotation (Final Technical Report)

We fulfilled all original three aims of the proposal. Following the earlier release (during the first phase of the project at Montana) of software that identifies and fills gaps in the annotation of metabolic proteins within bacterial genomes, we have nearly completed a second gap-filling tool that improves accuracy and explainability. We completed software for alignment-based annotation of protein coding DNA, allowing for coding frameshifts caused by sequencing error. Finally, we completed a neural embedding model for identifying similarities between protein sequences based on amino-wise latent vectors.

59 BASIC BIOLOGICAL SCIENCES↗

User Manual for the Thermal Hydraulic Code SE2RCT

SE2-ANL is a modified version of SUPERENERGY-2 which interfaces the power distribution in the ANL maintained physics codes for the user. SE2RCT is a special version of SE2-ANL developed for specific use on models of the Experimental Breeder Reactor-II (EBR-II). SE2RCT fulfills a specific role in the calculated results as part of the Fuels Irradiation and Physics Database (FIPD) and is built to connect with the Physics and Analysis DataBase (PADB) for metallic fuel research and development in advanced sodium-cooled fast reactors (SFRs) created for EBR-II. SE2RCT is primarily a thermal analysis code that interfaces with the RCT based pin power details instead of the built-in pin power dehomogenization strategy in SE2-ANL. Beyond the thermal hydraulic calculation, the SE2RCT code provides detailed axial distributions of the RCT calculated results. SE2RCT also calculates the the axial distribution of pin wise DPA for the cladding materials which is part of the FIPD calculated results. This report serves as the user manual for SE2RCT and thus eliminates the QA gap of missing documentation on the SE2RCT software. All of the features and limitations of SE2RCT are documented in this report. The input and output specifications of SE2RCT are discussed in detail, and some unique features of SE2RCT, e.g. accurate pin power and temperature results for problems with non-uniform composition within an assembly, are also demonstrated and tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Analysis of Silver Release from Furnace-Tested TRISO Particles

High temperature testing of intact TRISO particles previously irradiated in the AGR-5/6/7 experiment was performed in the Furnace for Irradiated TRISO Testing (FITT) to directly confirm diffusive release of silver and europium from intact TRISO particles. Testing was conducted from 1,100–1,600°C for exposure times up to 100 h to directly confirm silver through layer release below safety testing temperatures. The FITT analysis showed highest levels of silver release at 1,300–1,400°C which confirms athermal release behaviors previous observed in step-wise and transient safety tests. Additionally, release was non-uniform with some particles releasing a majority of their inventory while others did not appear to release silver under identical testing conditions, which was consistent with historic observations. An assessment of the effective silver diffusion coefficient in the SiC layer was conducted and indicated maximum values in the 1,300–1,400°C range. The magnitude of the calculated diffusion coefficients also exceeded currently accepted diffusion coefficients. The release behavior of europium from intact particles was also analyzed in FITT for at 1,450–1,550°C for 500 h to 750 h. Direct confirmation of europium release below safety testing temperatures was confirmed absent contributions from matrix release. The analysis indicated europium release follows a general Arrhenius behavior and suggests general uniform release and indicates irradiation conditions influence observed release response. Calculated diffusion kinetics agree well with historic experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mechanical Solutions Scan Report

Power lines, poles, and towers are the backbone of the United States (U.S.) electric-power grid. These transmission and distribution networks route electricity from generator to loads. The characteristics of these routes are rapidly changing -- trending towards decentralized renewable generation, electric heating, vehicle charging, and large data-center loads. Coupled with aging infrastructure and the increased frequency of extreme weather events, there is concern about the future reliability and transmission capacity of conductors and adjacent components. This scan report seeks to provide an overview of mechanical solutions to challenges caused by extreme weather events associated with components of transmission and distribution infrastructure, including conductor heat sag, ice accumulation, wind, and wildfire. Many options could increase transmission capacity or reliability, and these are at various stages of technological readiness. Some have only been lab tested, while some have been widely deployed in the U.S. or overseas for decades. The solution categories and providers featured in this report are intended to be comprehensive at the time of publication and to serve as a reference for decision-makers concerned about transmission and distribution reliability. There are two other categories of large, complex solutions, which are not covered in this report: replacing existing conductors with advanced conductors and implementing digital grid enhancing technologies. A separate scan report titled “Advanced Conductor Scan Report,” which discusses advanced carbon-core conductors, was published by the Idaho National Laboratory (INL) in 2023. Information on digital technologies, such as dynamic line ratings, power-flow controllers, and other power electronics and communications-based devices, can be found on the Grid- Enhancing Technologies landing page. Mechanical grid-enhancing technologies, or solutions covered in this report, often do not require full equipment replacement and do not rely on digital components. Mechanical technologies are overlooked because they may be older, simpler, or seemingly “more obvious” than digital or carbon-core technologies. However, it is wise to consider mechanical solutions in a thorough evaluation of grid enhancing technology solutions.

24 - POWER TRANSMISSION AND DISTRIBUTION↗