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At least 19 records

Viskores: Integrating Parallel Scientific Visualization Research into Applications

Viskores is a scientific visualization library that is the primary deployment of such algorithms to the parallel accelerated processors of modern DOE supercomputers. In this paper, we review the capabilities provided by Viskores and how these capabilities are leveraged by other software in the high-performance computing ecosystem. We discuss the Viskores data representation and pay particular attention to array management. Through this array management we describe how data is adapted between Viskores and other software along with strategies for converting dynamic, polymorphic objects to static representations better suited to GPU processing. We conclude with several examples of Viskores integrating with high-performance software that is used in production today.

Moreland, Ken [ORNL] (ORCID:0000000270513288)

The Origins of the ParaView and VisIt Scientific Visualization Tools

ParaView and VisIt play a key role in the visual understanding of scientific simulation data. These tools are open source, designed to handle extremely large datasets, and can run on supercomputers and large-scale display walls. They are in daily use by scientists, practitioners, and students at supercomputing centers, in industry, and at universities. In conclusion, this article gives personal accounts of the origins of these visualization tools.

Ahrens, James [Los Alamos National Laboratory (LAN

Immersive Scientific Visualization of Molten-Salt Reactor Waste Characteristics Using Virtual Reality

Immersive visualization is changing how we explore, communicate, and understand complex scientific systems. In nuclear energy, an area in which data are often multidimensional, time-dependent, and difficult to interpret, virtual reality (VR) represents a powerful and intuitive informational medium. This work introduces a VR-based platform that visualizes the post-shutdown behavior and waste management lifecycle of molten-salt reactors (MSRs), a next-generation reactor type with unique operational and safety characteristics. The platform, built in Unity, is streamed on the Meta Quest 3 headset. It transforms high-fidelity simulation data into an interactive, immersive experience. Users can explore time-dependent reactor characteristics such as nuclide decay, which is a key factor for evaluating reactor waste strategies. The datasets were generated using the MOOSE (Multiphysics Object-Oriented Simulation Environment) framework and then processed through ParaView scripting for smooth integration into Unity. From a visualization standpoint, the platform emphasizes spatial storytelling, temporal exploration, and user-centered interaction. Users can navigate 3D reactor geometries, slice through volumetric data, and manipulate time to observe how physical phenomena evolve. Real-scale rendering and embodied interaction make the experience feel tangible. The interface is designed to be accessible, even to those without nuclear or simulation expertise. This lowers the barrier for stakeholders, policymakers, and the general public, while still supporting expert analysis and collaborative decision-making. This work shows how immersive visualization can function as both a scientific tool and a communication interface. By integrating simulation, processing, and visualization into a cohesive workflow, we offer a scalable framework for immersive scientific storytelling. The modular design supports future extensions to other reactor types and lifecycle stages, from shutdown to long-term storage, making the platform adaptable for both research and outreach.

99 - GENERAL AND MISCELLANEOUS

Blue Keanu: A Scientific Visualization Tool For Network Data

This software allows the user to visualize complex PCAP-ng files captured from network capture software such as Wireshark. The visualization runs in a GUI window that can be zoomed or moved to areas of interest in a waterfall type display. The user then can see an area of interest that looks different than the typical traffic visually, such as a human interaction or non-repetitive area of data. The program will tell the user the packet number and byte offset of interest for fast analysis of discrete atomic or non-random events. This is particularly useful for visualization of unknown binary format data, such as in PLC or SCADA protocols that may have human or other non-repetitive activity for further analysis, reverse engineering, or fast forensic analysis.

Durller, MichaelGeorge

Paraview-MCP

This project provides a streamlined way for users to interact with and control powerful scientific visualization software (ParaView) through a conversational interface. By developing an automated "Model Context Protocol" (MCP) server with a Python-based ParaView manager, the system allows users to seamlessly load and visualize complex datasets, explore visualization options with AI assistance, and optimize visualization output in a close loop. This is achieved by issuing intuitive, natural-language commands. The result is a user-friendly interface that integrates high-level conversation and scriptable data visualization, making scientific visualization tools more accessible to a broad audience.

Liu, Shusen [Lawrence Livermore National Laborator

Memory-Aware External Facelist Calculation: A Data-Parallel Atomic Hash Counting Approach

Unstructured volumetric meshes serve as fundamental data representations in various scientific simulations and analyses. They play a crucial role in representing complex computational domains and are essential for important numerical techniques, such as finite element analysis. Whenever such a mesh is read from a file, streamed in-situ, or generated by algorithms, scientific visualization libraries rely on calculating the external surface of a geometry, named “external facelist”, to produce a polygonal mesh for rendering. Consequently, external facelist calculation has become one of the most widely used algorithms in the scientific visualization domain, necessitating optimal performance. In this paper, we explore relevant work on external facelist calculation algorithms in two common visualization libraries, VTK and Viskores, assess their performance and memory constraints, and introduce a novel memory-aware external facelist calculation algorithm employing an atomic hash counting approach. This algorithm fully leverages Viskores' data-parallel primitive operations, facilitating its execution across diverse many-core architectures. Our algorithm features the lowest memory footprint on the GPU and the second-lowest on the CPU among all evaluated methods, and it also delivers the fastest performance on both CPU and GPU. It has been made available under an open-source license in the VTK and Viskores visualization systems.

Tsalikis, Spiros [Kitware] (ORCID:0000000151137195

Visualization techniques for the gyrokinetic tokamak simulation code

Gyrokinetic simulations of plasma microturbulence in tokamaks are challenging to visualize because the compute grid follows the magnetic field lines that spiral around the torus. We have overcome this challenge by developing three new approaches that improve visualization of gyrokinetics. Our techniques work directly with the topology of magnetic flux surfaces where the simulation stores variables in concentric rings on poloidal planes (vertical cross sections of the torus). Our visualization preview step triangulates each consecutive pair of rings to display the data on a poloidal plane. The second visualization technique follows spiral field lines around the torus and constructs polygons to visualize a flux surface. Third, the poloidal triangles are connected between planes to form prisms that compose a 3-D model of the entire torus. The visualization workflow produces detailed geometry that matches the high resolution, irregular compute grid for every time step. The surface and solid models are displayed in scientific visualization programs to effectively explore and communicate the results, including fluctuation of electron density, ion temperature, and electrostatic potential. Highly detailed renderings verify plasma behavior along magnetic field lines over time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Materializing Inter-Channel Relationships With Multi-Density Woodcock Tracking

Volume rendering techniques for scientific visualization have recently shifted toward Monte Carlo (MC) methods for their flexibility and robustness, but their use in multi-channel visualization remains underexplored. Traditional multi-channel volume rendering often relies on arbitrary, non-physically based color blending functions that hinder interpretation. Here, we introduce multi-density Woodcock tracking, a simple extension of Woodcock tracking that leverages an MC method to produce high-fidelity, physically grounded multi-channel renderings without arbitrary blending. By generalizing Woodcock’s distance tracking, we provide a unified blending modality that also integrates blending functions from prior works. We further implement effects that enhance boundary and feature recognition. By accumulating frames in real-time, our approach delivers high-quality visualizations with perceptual benefits, demonstrated on diverse datasets.

97 MATHEMATICS AND COMPUTING

Immersive Analytics in Critical Spatial Domains: From Materials to Energy Systems

Immersive analytics (IA) leverages virtual reality, augmented reality, and mixed reality to transform how users interact with complex datasets across domains such as science, industry, and education. These immersive technologies offer spatial and multimodal environments that foster intuitive exploration, but they also introduce challenges related to cognitive load, interface design, and system performance. Here, this article presents a comprehensive review of visualization techniques, interaction models, and multimodal inputs utilized in IA. Drawing on case studies in scientific visualization, industrial training, and educational communication, we examine both the potential and limitations of current systems. Finally, we propose future research directions, focusing on real‐time collaboration, adaptive user interfaces, and scalable data exploration strategies to advance the field.

99 - GENERAL AND MISCELLANEOUS

model-of-perception

Algorithms for perceptually grounded evaluation of scientific visualizations, using neural reconstruction and embedding models to quantify clarity and interpretability.

Bujack, Roxana

Exploring the Use of Large Immersive Display Systems in the Nuclear Industry

Large immersive display systems play a critical role in the nuclear industry by enabling advanced training, design reviews, scientific visualization, and safety simulations. These systems, such as CAVE and powerwalls, allow engineers and operators to interact with virtual nuclear environments in real-time, providing a deeper understanding of complex systems. Their ability to simulate real-world scenarios for testing and optimization in a safe, controlled environment ensures that operators and engineers can refine process, enhance safety protocols, and troubleshoot complex challenges. This article outlines key lessons learned from deploying these systems, practical insights into their applications, and considerations for future improvements, aiming to guide their broader adoption and effective use in the nuclear industry.

99 - GENERAL AND MISCELLANEOUS

Collaborative: in situ visual analytics technologies for extreme scale combustion simulations

This project aims to drastically enhance the usability of in situ analysis and visualization for extreme-scale scientific simulations. Current exascale computing capabilities promise to offer greater predictive ability of simulations and to further push the frontiers of science and technology. However, to validate the simulation output at extreme scale, examine the modeled phenomena, and discover previously unknowns from the output data, the output must be reduced or transformed in situ as it is being generated during the simulation such that the amount of data to examine and store is kept to a minimum. Such in situ approaches allow us to process and analyze the data and any embedded geometry to an extent that would be prohibitively expensive, if not impossible, to perform as a post hoc task. While in situ processing has been demonstrated to be a feasible and promising approach, its full potential has not yet been leveraged. In this project, we have developed comprehensive enhancements to in situ technology based on probability distributions in data. Our research focuses on jointly developing new ways of interacting with massive statistical samples while creatively utilizing new state-of-the-art computational resources to push the boundaries of in situ exploration. Moreover, we have developed new time-dependent techniques to enable previously unattainable capabilities in areas such as intelligent simulation steering and precise feature identification. We have experimentally studied our design and implementation at NERSC and OLCF, and are able to leverage existing in situ infrastructures whenever possible. While the exemplar in this project is combustion, many other fields for which turbulent transport is important, e.g., fusion, climate, astrophysics among others, encounter similar issues as simulations scale up to the exascale. This project shows its potential to generate high impact on DOE missions since the resulting technology promises to improve scientists’ ability to rapidly and correctly interpret and tune extreme-scale simulations, leading to new scientific understanding and advancements.

97 MATHEMATICS AND COMPUTING

Synthetic Scientific Image Generation with VAE, GAN, and Diffusion Model Architectures

Generative AI (genAI) has emerged as a powerful tool for synthesizing diverse and complex image data, offering new possibilities for scientific imaging applications. This review presents a comprehensive comparative analysis of leading generative architectures, ranging from Variational Autoencoders (VAEs) to Generative Adversarial Networks (GANs) on through to Diffusion Models, in the context of scientific image synthesis. We examine each model's foundational principles, recent architectural advancements, and practical trade-offs. Our evaluation, conducted on domain-specific datasets including microCT scans of rocks and composite fibers, as well as high-resolution images of plant roots, integrates both quantitative metrics (SSIM, LPIPS, FID, CLIPScore) and expert-driven qualitative assessments. Results show that GANs, particularly StyleGAN, produce images with high perceptual quality and structural coherence. Diffusion-based models for inpainting and image variation, such as DALL-E 2, delivered high realism and semantic alignment but generally struggled in balancing visual fidelity with scientific accuracy. Importantly, our findings reveal limitations of standard quantitative metrics in capturing scientific relevance, underscoring the need for domain-expert validation. We conclude by discussing key challenges such as model interpretability, computational cost, and verification protocols, and discuss future directions where generative AI can drive innovation in data augmentation, simulation, and hypothesis generation in scientific research.

Generative Adversarial Networks

A bi-channel aided stitching of atomic force microscopy images

Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the amount of sample that can be imaged in a single capture. To overcome this limitation, image stitching techniques have been developed to seamlessly merge multiple overlapping images into a single, high-resolution composite. The images collected from microscope need to be optimally stitched before accurate physical information can be extracted from post analysis. However, the existing stitching tools either struggle to stitch images together when the microscopy images are feature sparse or cannot address all the transformations of images when performing image stitching. To address these issues, we propose a bi-channel aided feature-based image stitching method and demonstrate its use on Atomic Force Microscopy (AFM) generated Pantoea sp. YR343 biofilm and PTO thin film sample images as experimental data. The topographical channel image of AFM data captures the morphological details of the sample, and a stitched topographical image is desired for researchers. We utilize the amplitude and phase channels of AFM data to maximize the matching features and to estimate the position of the original topographical images and show that the proposed bi-channel aided stitching method outperforms the traditional direct stitching approach in AFM topographical image stitching task. Here, we demonstrated the application on AFM, but similar approaches could be employed of optical microscopy with brightfield and fluorescence channels. We believe this proposed workflow can serve as a valuable augmentation strategy for microscopy image stitching tasks and will benefit the experimentalist to avoid erroneous analysis and discovery due to incorrect stitching.

Atomic force microscopy

Optical Test Bench (SYSM 5620 Final Report)

The National Ignition Facility (NIF) is a research facility that focuses on High Energy Density Science and Inertial Confinement Fusion. In the NIF, 192 laser beams are directed into a miniscule Target Capsule to generate an implosion – this is called a NIF Shot. Many NIF Users conduct experiments using different Targets and laser inputs to generate reactions that are of interest to the scientific community. Those reactions are monitored using various Target Diagnostic instruments, including Shot Time Photography – which provides crucial images of the Target as the implosion occurs. A subset of these NIF Users is less interested in the reaction itself and more interested in subjecting materials or devices to the intense environment that these reactions can create. Using the Target as a source of x-rays, neutrons, or blast loading for particular materials has been significant to the shock physics community and to those who work in extreme design spaces. However, the Material and Radiation Effects team – that performs these experiments on behalf of the NIF Users – has not been able to make good use of the existing Shot Time Photography Diagnostics. The STP cameras are focused on the Targets rather than the MRE Customers’ materials, the current system is not oriented to have a good view of the MRE Customers’ materials, and the cameras are limited in their capabilities (black and white, poor resolution, etc.). As MRE experiments increase in quantity and importance to the scientific community, the desire for visual monitoring of the experiments to substantiate models and inform other data is also rising.

42 ENGINEERING

Enabling Command-and-Control in Advanced In Situ Workflows

Scientific discovery is progressing towards autonomous science with the combination of scientific instruments, high-performance computing, and artificial intelligence in complex workflows. This evolution introduces new requirements for managing scientific workflows, including feedback loops, near real-time constraints, and the ability to dynamically control workflow execution. In situ workflows that analyze and visualize data as it is generated are well-suited to satisfy stringent time constraints and their iterative nature offers greater opportunities for command-and-control. However, only a few of the many workflow management systems available have been specifically designed to manage in situ workflows and often lack support for automated feedback loops that allow analysis and visualization components to interact with the main scientific data producer. To address this need, we present in this paper how to add command-and-control capabilities to a workflow management system. We identify the functional design requirements of such a command-and-control system, detail its architecture, interface, and core mechanisms, and illustrate how advanced in situ workflows can leverage command-and-control in three use cases: graceful termination with checkpoint, dynamic and adaptive data reduction, and event-triggered analysis.

Mehta, Kshitij [ORNL] (ORCID:0000000297149981)