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James Ahrens

Publications and source records attributed to James Ahrens.

18 recordsLinked to original sources

Nyx-RT: Adaptive Ray Tracing in the Nyx Hydrodynamical Code

Numerical methods for radiative transfer play a key role in modern-day astrophysics and cosmology, including study of the inhomogeneous reionization process. In this context, ray tracing methods are well-regarded for accuracy but notorious for high computational cost. In this work, we extend the capabilities of the Nyx N-body / hydrodynamics code, coupling radiation to gravitational and gas dynamics. We formulate adaptive ray tracing as a novel series of filters and transformations that can be used with AMReX particle abstractions, simplifying implementation and enabling portability across Exascale GPU architectures. To address computational cost, we present a new algorithm for merging sources, which significantly accelerates computation once reionization is well underway. Furthermore, we develop a novel prescription for geometric overlap correction with low-density neighbor cells. We perform verification and validation against standard analytic and numerical test problems. Finally, we demonstrate scaling to up to 1024 nodes and 4096 GPUs running multiphysics cosmological simulations, with 4096^3 Eulerian gas cells, 4096^3 dark matter particles, and ray tracing on a 1024^3 coarse grid. For these full cosmological simulations, we demonstrate convergence in terms of reionization history and post-ionization Lyman-alpha forest flux.

astro-ph.IM

A Scalable In Transit Solution for Comprehensive Exploration of Simulation Data

As simulations produce more data than available disk space on supercomputers, many simulations are employing in situ analysis and visualization to reduce the amount of data that needs to be stored. While in situ visualization offers potential for substantial data reduction, its efficacy is hindered by the need for a priori knowledge. First, we need to know what visualization parameters to use to highlight features of interest. Second, we do not know ahead of time how much resources will be needed to run the in situ workflows, e.g. how many compute nodes will be needed for in situ work. In this work, we present SeerX, a lightweight, scalable in-transit in situ service that supports dynamic resource allocation and lossy compression of 3D simulation data. SeerX enables multiple simulations to offload analysis to a shared, elastic service infrastructure without MPI synchronization.

cs.GR

InferA: A Smart Assistant for Cosmological Ensemble Data

Analyzing large-scale scientific datasets presents substantial challenges due to their sheer volume, structural complexity, and the need for specialized domain knowledge. Automation tools, such as PandasAI, typically require full data ingestion and lack context of the full data structure, making them impractical as intelligent data analysis assistants for datasets at the terabyte scale. To overcome these limitations, we propose InferA, a multi-agent system that leverages large language models to enable scalable and efficient scientific data analysis. At the core of the architecture is a supervisor agent that orchestrates a team of specialized agents responsible for distinct phases of the data retrieval and analysis. The system engages interactively with users to elicit their analytical intent and confirm query objectives, ensuring alignment between user goals and system actions. To demonstrate the framework's usability, we evaluate the system using ensemble runs from the HACC cosmology simulation which comprises several terabytes.

astro-ph.IM

STZ: A High Quality and High Speed Streaming Lossy Compression Framework for Scientific Data

Error-bounded lossy compression is one of the most efficient solutions to reduce the volume of scientific data. For lossy compression, progressive decompression and random-access decompression are critical features that enable on-demand data access and flexible analysis workflows. However, these features can severely degrade compression quality and speed. To address these limitations, we propose a novel streaming compression framework that supports both progressive decompression and random-access decompression while maintaining high compression quality and speed. Our contributions are three-fold: (1) we design the first compression framework that simultaneously enables both progressive decompression and random-access decompression; (2) we introduce a hierarchical partitioning strategy to enable both streaming features, along with a hierarchical prediction mechanism that mitigates the impact of partitioning and achieves high compression quality -- even comparable to state-of-the-art (SOTA) non-streaming compressor SZ3; and (3) our framework delivers high compression and decompression speed, up to 6.7$\times$ faster than SZ3.

cs.DC

A High-Quality Workflow for Multi-Resolution Scientific Data Reduction and Visualization

Multi-resolution methods such as Adaptive Mesh Refinement (AMR) can enhance storage efficiency for HPC applications generating vast volumes of data. However, their applicability is limited and cannot be universally deployed across all applications. Furthermore, integrating lossy compression with multi-resolution techniques to further boost storage efficiency encounters significant barriers. To this end, we introduce an innovative workflow that facilitates high-quality multi-resolution data compression for both uniform and AMR simulations. Initially, to extend the usability of multi-resolution techniques, our workflow employs a compression-oriented Region of Interest (ROI) extraction method, transforming uniform data into a multi-resolution format. Subsequently, to bridge the gap between multi-resolution techniques and lossy compressors, we optimize three distinct compressors, ensuring their optimal performance on multi-resolution data. Lastly, we incorporate an advanced uncertainty visualization method into our workflow to understand the potential impacts of lossy compression. Experimental evaluation demonstrates that our workflow achieves significant compression quality improvements.

cs.DC

TAC+: Optimizing Error-Bounded Lossy Compression for 3D AMR Simulations

Today's scientific simulations require significant data volume reduction because of the enormous amounts of data produced and the limited I/O bandwidth and storage space. Error-bounded lossy compression has been considered one of the most effective solutions to the above problem. However, little work has been done to improve error-bounded lossy compression for Adaptive Mesh Refinement (AMR) simulation data. Unlike the previous work that only leverages 1D compression, in this work, we propose an approach (TAC) to leverage high-dimensional SZ compression for each refinement level of AMR data. To remove the data redundancy across different levels, we propose several pre-process strategies and adaptively use them based on the data features. We further optimize TAC to TAC+ by improving the lossless encoding stage of SZ compression to handle many small AMR data blocks after the pre-processing efficiently. Experiments on 10 AMR datasets from three real-world large-scale AMR simulations demonstrate that TAC+ can improve the compression ratio by up to 4.9$\times$ under the same data distortion, compared to the state-of-the-art method. In addition, we leverage the flexibility of our approach to tune the error bound for each level, which achieves much lower data distortion on two application-specific metrics.

cs.DC

Analyzing Impact of Data Reduction Techniques on Visualization for AMR Applications Using AMReX Framework

Today's scientific simulations generate exceptionally large volumes of data, challenging the capacities of available I/O bandwidth and storage space. This necessitates a substantial reduction in data volume, for which error-bounded lossy compression has emerged as a highly effective strategy. A crucial metric for assessing the efficacy of lossy compression is visualization. Despite extensive research on the impact of compression on visualization, there is a notable gap in the literature concerning the effects of compression on the visualization of Adaptive Mesh Refinement (AMR) data. AMR has proven to be a potent solution for addressing the rising computational intensity and the explosive growth in data volume that requires storage and transmission. However, the hierarchical and multi-resolution characteristics of AMR data introduce unique challenges to its visualization, and these challenges are further compounded when data compression comes into play. This article delves into the intricacies of how data compression influences and introduces novel challenges to the visualization of AMR data.

cs.DC

MolSieve: A Progressive Visual Analytics System for Molecular Dynamics Simulations

Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical research. They provide critical insights into how a physical system evolves over time given a model of interatomic interactions. Understanding a system's evolution is key to selecting the best candidates for new drugs, materials for manufacturing, and countless other practical applications. With today's technology, these simulations can encompass millions of unit transitions between discrete molecular structures, spanning up to several milliseconds of real time. Attempting to perform a brute-force analysis with data-sets of this size is not only computationally impractical, but would not shed light on the physically-relevant features of the data. Moreover, there is a need to analyze simulation ensembles in order to compare similar processes in differing environments. These problems call for an approach that is analytically transparent, computationally efficient, and flexible enough to handle the variety found in materials based research. In order to address these problems, we introduce MolSieve, a progressive visual analytics system that enables the comparison of multiple long-duration simulations. Using MolSieve, analysts are able to quickly identify and compare regions of interest within immense simulations through its combination of control charts, data-reduction techniques, and highly informative visual components. A simple programming interface is provided which allows experts to fit MolSieve to their needs. To demonstrate the efficacy of our approach, we present two case studies of MolSieve and report on findings from domain collaborators.

physics.comp-ph

AMRIC: A Novel In Situ Lossy Compression Framework for Efficient I/O in Adaptive Mesh Refinement Applications

As supercomputers advance towards exascale capabilities, computational intensity increases significantly, and the volume of data requiring storage and transmission experiences exponential growth. Adaptive Mesh Refinement (AMR) has emerged as an effective solution to address these two challenges. Concurrently, error-bounded lossy compression is recognized as one of the most efficient approaches to tackle the latter issue. Despite their respective advantages, few attempts have been made to investigate how AMR and error-bounded lossy compression can function together. To this end, this study presents a novel in-situ lossy compression framework that employs the HDF5 filter to improve both I/O costs and boost compression quality for AMR applications. We implement our solution into the AMReX framework and evaluate on two real-world AMR applications, Nyx and WarpX, on the Summit supercomputer. Experiments with 4096 CPU cores demonstrate that AMRIC improves the compression ratio by up to 81X and the I/O performance by up to 39X over AMReX's original compression solution.

cs.DC

TAC: Optimizing Error-Bounded Lossy Compression for Three-Dimensional Adaptive Mesh Refinement Simulations

Today's scientific simulations require a significant reduction of data volume because of extremely large amounts of data they produce and the limited I/O bandwidth and storage space. Error-bounded lossy compression has been considered one of the most effective solutions to the above problem. However, little work has been done to improve error-bounded lossy compression for Adaptive Mesh Refinement (AMR) simulation data. Unlike the previous work that only leverages 1D compression, in this work, we propose to leverage high-dimensional (e.g., 3D) compression for each refinement level of AMR data. To remove the data redundancy across different levels, we propose three pre-process strategies and adaptively use them based on the data characteristics. Experiments on seven AMR datasets from a real-world large-scale AMR simulation demonstrate that our proposed approach can improve the compression ratio by up to 3.3X under the same data distortion, compared to the state-of-the-art method. In addition, we leverage the flexibility of our approach to tune the error bound for each level, which achieves much lower data distortion on two application-specific metrics.

cs.DC

In Situ Data Summaries for Flexible Feature Analysis in Large-Scale Multiphase Flow Simulations

The study of multiphase flow is essential for understanding the complex interactions of various materials. In particular, when designing chemical reactors such as fluidized bed reactors (FBR), a detailed understanding of the hydrodynamics is critical for optimizing reactor performance and stability. An FBR allows experts to conduct different types of chemical reactions involving multiphase materials, especially interaction between gas and solids. During such complex chemical processes, formation of void regions in the reactor, generally termed as bubbles, is an important phenomenon. Study of these bubbles has a deep implication in predicting the reactor's overall efficiency. But physical experiments needed to understand bubble dynamics are costly and non-trivial. Therefore, to study such chemical processes and bubble dynamics, a state-of-the-art massively parallel computational fluid dynamics discrete element model (CFD-DEM), MFIX-Exa is being developed for simulating multiphase flows. Despite the proven accuracy of MFIX-Exa in modeling bubbling phenomena, the very-large size of the output data prohibits the use of traditional post hoc analysis capabilities in both storage and I/O time. To address these issues and allow the application scientists to explore the bubble dynamics in an efficient and timely manner, we have developed an end-to-end visual analytics pipeline that enables in situ detection of bubbles using statistical techniques, followed by a flexible and interactive visual exploration of bubble dynamics in the post hoc analysis phase. Positive feedback from the experts has indicated the efficacy of the proposed approach for exploring bubble dynamics in very-large scale multiphase flow simulations.

cs.HC

Adaptive Configuration of In Situ Lossy Compression for Cosmology Simulations via Fine-Grained Rate-Quality Modeling

Extreme-scale cosmological simulations have been widely used by today's researchers and scientists on leadership supercomputers. A new generation of error-bounded lossy compressors has been used in workflows to reduce storage requirements and minimize the impact of throughput limitations while saving large snapshots of high-fidelity data for post-hoc analysis. In this paper, we propose to adaptively provide compression configurations to compute partitions of cosmological simulations with newly designed post-analysis aware rate-quality modeling. The contribution is fourfold: (1) We propose a novel adaptive approach to select feasible error bounds for different partitions, showing the possibility and efficiency of adaptively configuring lossy compression for each partition individually. (2) We build models to estimate the overall loss of post-analysis result due to lossy compression and to estimate compression ratio, based on the property of each partition. (3) We develop an efficient optimization guideline to determine the best-fit configuration of error bounds combination in order to maximize the compression ratio under acceptable post-analysis quality loss. (4) Our approach introduces negligible overheads for feature extraction and error-bound optimization for each partition, enabling post-analysis-aware in situ lossy compression for cosmological simulations. Experiments show that our proposed models are highly accurate and reliable. Our fine-grained adaptive configuration approach improves the compression ratio of up to 73% on the tested datasets with the same post-analysis distortion with only 1% performance overhead.

cs.DC

Cinema Darkroom: A Deferred Rendering Framework for Large-Scale Datasets

This paper presents a framework that fully leverages the advantages of a deferred rendering approach for the interactive visualization of large-scale datasets. Geometry buffers (G-Buffers) are generated and stored in situ, and shading is performed post hoc in an interactive image-based rendering front end. This decoupled framework has two major advantages. First, the G-Buffers only need to be computed and stored once---which corresponds to the most expensive part of the rendering pipeline. Second, the stored G-Buffers can later be consumed in an image-based rendering front end that enables users to interactively adjust various visualization parameters---such as the applied color map or the strength of ambient occlusion---where suitable choices are often not known a priori. This paper demonstrates the use of Cinema Darkroom on several real-world datasets, highlighting CD's ability to effectively decouple the complexity and size of the dataset from its visualization.

cs.GR

Understanding GPU-Based Lossy Compression for Extreme-Scale Cosmological Simulations

To help understand our universe better, researchers and scientists currently run extreme-scale cosmology simulations on leadership supercomputers. However, such simulations can generate large amounts of scientific data, which often result in expensive costs in data associated with data movement and storage. Lossy compression techniques have become attractive because they significantly reduce data size and can maintain high data fidelity for post-analysis. In this paper, we propose to use GPU-based lossy compression for extreme-scale cosmological simulations. Our contributions are threefold: (1) we implement multiple GPU-based lossy compressors to our opensource compression benchmark and analysis framework named Foresight; (2) we use Foresight to comprehensively evaluate the practicality of using GPU-based lossy compression on two real-world extreme-scale cosmology simulations, namely HACC and Nyx, based on a series of assessment metrics; and (3) we develop a general optimization guideline on how to determine the best-fit configurations for different lossy compressors and cosmological simulations. Experiments show that GPU-based lossy compression can provide necessary accuracy on post-analysis for cosmological simulations and high compression ratio of 5~15x on the tested datasets, as well as much higher compression and decompression throughput than CPU-based compressors.

cs.DC

Multivariate Pointwise Information-Driven Data Sampling and Visualization

With increasing computing capabilities of modern supercomputers, the size of the data generated from the scientific simulations is growing rapidly. As a result, application scientists need effective data summarization techniques that can reduce large-scale multivariate spatiotemporal data sets while preserving the important data properties so that the reduced data can answer domain-specific queries involving multiple variables with sufficient accuracy. While analyzing complex scientific events, domain experts often analyze and visualize two or more variables together to obtain a better understanding of the characteristics of the data features. Therefore, data summarization techniques are required to analyze multi-variable relationships in detail and then perform data reduction such that the important features involving multiple variables are preserved in the reduced data. To achieve this, in this work, we propose a data sub-sampling algorithm for performing statistical data summarization that leverages pointwise information theoretic measures to quantify the statistical association of data points considering multiple variables and generates a sub-sampled data that preserves the statistical association among multi-variables. Using such reduced sampled data, we show that multivariate feature query and analysis can be done effectively. The efficacy of the proposed multivariate association driven sampling algorithm is presented by applying it on several scientific data sets.

cs.HC

In situ TensorView: In situ Visualization of Convolutional Neural Networks

Convolutional Neural Networks(CNNs) are complex systems. They are trained so they can adapt their internal connections to recognize images, texts and more. It is both interesting and helpful to visualize the dynamics within such deep artificial neural networks so that people can understand how these artificial networks are learning and making predictions. In the field of scientific simulations, visualization tools like Paraview have long been utilized to provide insights and understandings. We present in situ TensorView to visualize the training and functioning of CNNs as if they are systems of scientific simulations. In situ TensorView is a loosely coupled in situ visualization open framework that provides multiple viewers to help users to visualize and understand their networks. It leverages the capability of co-processing from Paraview to provide real-time visualization during training and predicting phases. This avoid heavy I/O overhead for visualizing large dynamic systems. Only a small number of lines of codes are injected in TensorFlow framework. The visualization can provide guidance to adjust the architecture of networks, or compress the pre-trained networks. We showcase visualizing the training of LeNet-5 and VGG16 using in situ TensorView.

cs.CV

Analyzing and Visualizing Cosmological Simulations with ParaView

The advent of large cosmological sky surveys - ushering in the era of precision cosmology - has been accompanied by ever larger cosmological simulations. The analysis of these simulations, which currently encompass tens of billions of particles and up to trillion particles in the near future, is often as daunting as carrying out the simulations in the first place. Therefore, the development of very efficient analysis tools combining qualitative and quantitative capabilities is a matter of some urgency. In this paper we introduce new analysis features implemented within ParaView, a parallel, open-source visualization toolkit, to analyze large N-body simulations. The new features include particle readers and a very efficient halo finder which identifies friends-of-friends halos and determines common halo properties. In combination with many other functionalities already existing within ParaView, such as histogram routines or interfaces to Python, this enhanced version enables fast, interactive, and convenient analyses of large cosmological simulations. In addition, development paths are available for future extensions.

astro-ph.CO

The Cosmic Code Comparison Project

Current and upcoming cosmological observations allow us to probe structures on smaller and smaller scales, entering highly nonlinear regimes. In order to obtain theoretical predictions in these regimes, large cosmological simulations have to be carried out. The promised high accuracy from observations make the simulation task very demanding: the simulations have to be at least as accurate as the observations. This requirement can only be fulfilled by carrying out an extensive code validation program. The first step of such a program is the comparison of different cosmology codes including gravitation interactions only. In this paper we extend a recently carried out code comparison project to include five more simulation codes. We restrict our analysis to a small cosmological volume which allows us to investigate properties of halos. For the matter power spectrum and the mass function, the previous results hold, with the codes agreeing at the 10% level over wide dynamic ranges. We extend our analysis to the comparison of halo profiles and investigate the halo count as a function of local density. We introduce and discuss ParaView as a flexible analysis tool for cosmological simulations, the use of which immensely simplifies the code comparison task.

astro-ph