Michael E. Papka
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View article: Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science
Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science Open
This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national la…
View article: Distributed 3D Gaussian Splatting for High-Resolution Isosurface Visualization
Distributed 3D Gaussian Splatting for High-Resolution Isosurface Visualization Open
3D Gaussian Splatting (3D-GS) has recently emerged as a powerful technique for real-time, photorealistic rendering by optimizing anisotropic Gaussian primitives from view-dependent images. While 3D-GS has been extended to scientific visual…
View article: Aurora: Architecting Argonne's First Exascale Supercomputer for Accelerated Scientific Discovery
Aurora: Architecting Argonne's First Exascale Supercomputer for Accelerated Scientific Discovery Open
Aurora is Argonne National Laboratory's pioneering Exascale supercomputer, designed to accelerate scientific discovery with cutting-edge architectural innovations. Key new technologies include the Intel(TM) Xeon(TM) Data Center GPU Max Ser…
View article: Toward Distributed 3D Gaussian Splatting for High-Resolution Isosurface Visualization
Toward Distributed 3D Gaussian Splatting for High-Resolution Isosurface Visualization Open
We present a multi-GPU extension of the 3D Gaussian Splatting (3D-GS) pipeline for scientific visualization. Building on previous work that demonstrated high-fidelity isosurface reconstruction using Gaussian primitives, we incorporate a mu…
View article: HiPerRAG: High-Performance Retrieval Augmented Generation for Scientific Insights
HiPerRAG: High-Performance Retrieval Augmented Generation for Scientific Insights Open
The volume of scientific literature is growing exponentially, leading to underutilized discoveries, duplicated efforts, and limited cross-disciplinary collaboration. Retrieval Augmented Generation (RAG) offers a way to assist scientists by…
View article: Deciphering boundary layer dynamics in high-Rayleigh-number convection using 3360 GPUs and a high-scaling in-situ workflow
Deciphering boundary layer dynamics in high-Rayleigh-number convection using 3360 GPUs and a high-scaling in-situ workflow Open
Turbulent heat and momentum transfer processes due to thermal convection cover many scales and are of great importance for several natural and technical flows. One consequence is that a fully resolved three-dimensional analysis of these tu…
View article: An Incremental Multi-Level, Multi-Scale Approach to Assessment of Multifidelity HPC Systems
An Incremental Multi-Level, Multi-Scale Approach to Assessment of Multifidelity HPC Systems Open
With the growing complexity in architecture and the size of large-scale computing systems, monitoring and analyzing system behavior and events has become daunting. Monitoring data amounting to terabytes per day are collected by sensors hou…
View article: Science in a Blink: Supporting Ensemble Perception in Scalar Fields
Science in a Blink: Supporting Ensemble Perception in Scalar Fields Open
Visualizations support rapid analysis of scientific datasets, allowing viewers to glean aggregate information (e.g., the mean) within split-seconds. While prior research has explored this ability in conventional charts, it is unclear if sp…
View article: Image Synthesis from a Collection of Depth Enhanced Panoramas: Creating Interactive Extended Reality Experiences from Static Images
Image Synthesis from a Collection of Depth Enhanced Panoramas: Creating Interactive Extended Reality Experiences from Static Images Open
Stereoscopic 360° panoramas are a popular modality for creating cinematic virtual reality experiences. However, media in this format are typically static entities that consumers passively view. This is because objects visible in the scene,…
View article: Toward a Holistic Performance Evaluation of Large Language Models Across Diverse AI Accelerators
Toward a Holistic Performance Evaluation of Large Language Models Across Diverse AI Accelerators Open
Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered a promising approach to address some challenging problems becau…
View article: Color Maker: a Mixed-Initiative Approach to Creating Accessible Color Maps
Color Maker: a Mixed-Initiative Approach to Creating Accessible Color Maps Open
Quantitative data is frequently represented using color, yet designing\neffective color mappings is a challenging task, requiring one to balance\nperceptual standards with personal color preference. Current design tools\neither overwhelm n…
View article: MalleTrain: Deep Neural Networks Training on Unfillable Supercomputer Nodes
MalleTrain: Deep Neural Networks Training on Unfillable Supercomputer Nodes Open
First-come first-serve scheduling can result in substantial (up to 10%) of\ntransiently idle nodes on supercomputers. Recognizing that such unfilled nodes\nare well-suited for deep neural network (DNN) training, due to the flexible\nnature…
View article: 2023 Operational Assessment Report: Argonne Leadership Computing Facility
2023 Operational Assessment Report: Argonne Leadership Computing Facility Open
In 2004, the U.S. Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program established the Leadership Computing Facility (LCF) with a mission to provide the world’s most advanced computational resources to the o…
View article: VisAnywhere: Developing Multi-platform Scientific Visualization Applications
VisAnywhere: Developing Multi-platform Scientific Visualization Applications Open
Scientists often explore and analyze large-scale scientific simulation data by leveraging two- and three-dimensional visualizations. The data and tasks can be complex and therefore best supported using myriad display technologies, from mob…
View article: Electronic Visualization Laboratory's 50th Anniversary Retrospective: Look to the Future, Build on the Past
Electronic Visualization Laboratory's 50th Anniversary Retrospective: Look to the Future, Build on the Past Open
September 2023 marks the 50th anniversary of the Electronic Visualization Laboratory (EVL) at University of Illinois Chicago (UIC). EVL's introduction of the CAVE Automatic Virtual Environment in 1992, the first widely replicated, projecti…
View article: Scaling Computational Fluid Dynamics: In Situ Visualization of NekRS using SENSEI
Scaling Computational Fluid Dynamics: In Situ Visualization of NekRS using SENSEI Open
In the realm of Computational Fluid Dynamics (CFD), the demand for memory and\ncomputation resources is extreme, necessitating the use of leadership-scale\ncomputing platforms for practical domain sizes. This intensive requirement\nrenders…
View article: GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics Open
We seek to transform how new and emergent variants of pandemic-causing viruses, specifically SARS-CoV-2, are identified and classified. By adapting large language models (LLMs) for genomic data, we build genome-scale language models (GenSL…
View article: Interpretable Modeling of Deep Reinforcement Learning Driven Scheduling
Interpretable Modeling of Deep Reinforcement Learning Driven Scheduling Open
In the field of high-performance computing (HPC), there has been recent\nexploration into the use of deep reinforcement learning for cluster scheduling\n(DRL scheduling), which has demonstrated promising outcomes. However, a\nsignificant c…
View article: DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies Open
In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across …
View article: A Comprehensive Performance Study of Large Language Models on Novel AI Accelerators
A Comprehensive Performance Study of Large Language Models on Novel AI Accelerators Open
Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging prob…
View article: 2022 Operational Assessment Report - Argonne Leadership Computing Facility
2022 Operational Assessment Report - Argonne Leadership Computing Facility Open
This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for the calendar year (CY) 2022. In CY 2022, ALCF operated Theta, an Intel-based Cray XC40 system (11.…
View article: A Multi-Level, Multi-Scale Visual Analytics Approach to Assessment of Multifidelity HPC Systems
A Multi-Level, Multi-Scale Visual Analytics Approach to Assessment of Multifidelity HPC Systems Open
The ability to monitor and interpret of hardware system events and behaviors are crucial to improving the robustness and reliability of these systems, especially in a supercomputing facility. The growing complexity and scale of these syste…
View article: The State of the Art in Visualizing Dynamic Multivariate Networks
The State of the Art in Visualizing Dynamic Multivariate Networks Open
Most real‐world networks are both dynamic and multivariate in nature, meaning that the network is associated with various attributes and both the network structure and attributes evolve over time. Visualizing dynamic multivariate networks …
View article: ChemoGraph: Interactive Visual Exploration of the Chemical Space
ChemoGraph: Interactive Visual Exploration of the Chemical Space Open
Exploratory analysis of the chemical space is an important task in the field of cheminformatics. For example, in drug discovery research, chemists investigate sets of thousands of chemical compounds in order to identify novel yet structura…
View article: Distributed Neural Representation for Reactive in situ Visualization
Distributed Neural Representation for Reactive in situ Visualization Open
Implicit neural representations (INRs) have emerged as a powerful tool for compressing large-scale volume data. This opens up new possibilities for in situ visualization. However, the efficient application of INRs to distributed data remai…