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Peer-Timo Bremer

Publications and source records attributed to Peer-Timo Bremer.

At least 19 recordsLinked to original sources

A Query-Efficient Stochastic Volume Rendering Framework for Time-Varying Implicit Neural Volumes

Time-varying implicit neural representations (INRs) provide a compact representation of scientific volumes and, for modalities such as dynamic X-ray computed tomography (CT), are often the only practical way to represent the data. However, interactive volume rendering of INRs is challenging, as cheap memory lookups are replaced by expensive neural inferences, hindering the performance. Therefore, conventional volume rendering methods such as ray marching with dense sampling are often impractical. While resampling, caching, and retraining can mitigate this cost, they compromise convenience and accuracy and become impractical for time-varying data. We tackle these challenges using a query-efficient stochastic volume rendering framework based on delta tracking. Our system employs a four-stage pipeline that exploits heterogeneous parallelism, using ray tracing cores for traversal and tensor cores for batched neural evaluation. Furthermore, we present strategies to reduce INR queries via ray budgeting and query pruning, thereby increasing per-frame performance. Using our renderer, many time-varying INRs can be rendered directly from their original representation. The system achieves ~30-40 FPS at 1024x1024 resolution on an RTX 4090 GPU and converges to high-fidelity images. Moreover, the system enables interactive temporal exploration of the continuous domain, with timestep updates taking approximately 1-2 ms.

cs.GR

Toward AI VIS Co-Scientists: A General and End-to-End Agent Harness for Solving Complex Data Visualization Tasks

The ability to inspect, interpret, and communicate complex data is crucial for virtually any scientific endeavor, but often requires significant expertise outside the core domain ranging from data management and analysis to visualization design and implementation. We present an end-to-end agentic harness that, based on only the data and a high level description of the tasks, independently designs custom visual analysis applications (VIS apps). This represents an important step towards a general AI co-scientist envisioned by many as an autonomous system that can autonomously execute long horizon tasks based on high-level directions. Our proposed VIS co-scientist is an essential component of this broader AI co-scientist vision: a harness that can autonomously analyze data and design visualization solutions using a collection of agents and specialized skills that coordinate exploratory analysis, plan, configure the environment, implement, validate the interface, and most importantly evaluate the overall task completion. Each stage produces document and instruction artifacts that guide downstream work and enable iterative refinement. We validate this approach on IEEE SciVis Contests spanning multiple science and engineering fields. These contests serve as ideal proving grounds because they encode real-world complexity: ambiguous requirements, diverse data modalities, design trade-offs, and task-driven validation. Given only the data and target tasks, our system autonomously produces functional single-page VIS Apps with verified linked-view behavior, highly customized to domain experts' specified tasks and needs.

cs.AI

Exploring Bichronous Collaboration in Virtual Environments

Virtual environments (VEs) empower geographically distributed teams to collaborate on a shared project regardless of time. Existing research has separately investigated collaborations within these VEs at the same time (i.e., synchronous) or different times (i.e., asynchronous). In this work, we highlight the often-overlooked concept of bichronous collaboration and define it as the seamless integration of archived information during a real-time collaborative session. We revisit the time-space matrix of computer-supported cooperative work (CSCW) and reclassify the time dimension as a continuum. We describe a system that empowers collaboration across the temporal states of the time continuum within a VE during remote work. We conducted a user study using the system to discover how the bichronous temporal state impacts the user experience during a collaborative inspection. Findings indicate that the bichronous temporal state is beneficial to collaborative activities for information processing, but has drawbacks such as changed interaction and positioning behaviors in the VE.

cs.HC

Machine Learning-driven Multiscale MD Workflows: The Mini-MuMMI Experience

Computational models have become one of the prevalent methods to model complex phenomena. To accurately model complex interactions, such as detailed biomolecular interactions, scientists often rely on multiscale models comprised of several internal models operating at difference scales, ranging from microscopic to macroscopic length and time scales. Bridging the gap between different time and length scales has historically been challenging but the advent of newer machine learning (ML) approaches has shown promise for tackling that task. Multiscale models require massive amounts of computational power and a powerful workflow management system. Orchestrating ML-driven multiscale studies on parallel systems with thousands of nodes is challenging, the workflow must schedule, allocate and control thousands of simulations operating at different scales. Here, we discuss the massively parallel Multiscale Machine-Learned Modeling Infrastructure (MuMMI), a multiscale workflow management infrastructure, that can orchestrate thousands of molecular dynamics (MD) simulations operating at different timescales, spanning from millisecond to nanosecond. More specifically, we introduce a novel version of MuMMI called "mini-MuMMI". Mini-MuMMI is a curated version of MuMMI designed to run on modest HPC systems or even laptops whereas MuMMI requires larger HPC systems. We demonstrate mini-MuMMI utility by exploring RAS-RAF membrane interactions and discuss the different challenges behind the generalization of multiscale workflows and how mini-MuMMI can be leveraged to target a broader range of applications outside of MD and RAS-RAF interactions.

cs.DC

ParaView-MCP: An Autonomous Visualization Agent with Direct Tool Use

While powerful and well-established, tools like ParaView present a steep learning curve that discourages many potential users. This work introduces ParaView-MCP, an autonomous agent that integrates modern multimodal large language models (MLLMs) with ParaView to not only lower the barrier to entry but also augment ParaView with intelligent decision support. By leveraging the state-of-the-art reasoning, command execution, and vision capabilities of MLLMs, ParaView-MCP enables users to interact with ParaView through natural language and visual inputs. Specifically, our system adopted the Model Context Protocol (MCP) - a standardized interface for model-application communication - that facilitates direct interaction between MLLMs with ParaView's Python API to allow seamless information exchange between the user, the language model, and the visualization tool itself. Furthermore, by implementing a visual feedback mechanism that allows the agent to observe the viewport, we unlock a range of new capabilities, including recreating visualizations from examples, closed-loop visualization parameter updates based on user-defined goals, and even cross-application collaboration involving multiple tools. Broadly, we believe such an agent-driven visualization paradigm can profoundly change the way we interact with visualization tools. We expect a significant uptake in the development of such visualization tools, in both visualization research and industry.

cs.HC

Investigating the Influence of Playback Interactivity during Guided Tours for Asynchronous Collaboration in Virtual Reality

Collaborative virtual environments allow workers to contribute to team projects across space and time. While much research has closely examined the problem of working in different spaces at the same time, few have investigated the best practices for collaborating in those spaces at different times aside from textual and auditory annotations. We designed a system that allows experts to record a tour inside a virtual inspection space, preserving knowledge and providing later observers with insights through a 3D playback of the expert's inspection. We also created several interactions to ensure that observers are tracking the tour and remaining engaged. We conducted a user study to evaluate the influence of these interactions on an observing user's information recall and user experience. Findings indicate that independent viewpoint control during a tour enhances the user experience compared to fully passive playback and that additional interactivity can improve auditory and spatial recall of key information conveyed during the tour.

cs.HC

Exploring Multiscale Navigation of Homogeneous and Dense Objects with Progressive Refinement in Virtual Reality

Locating small features in a large, dense object in virtual reality (VR) poses a significant interaction challenge. While existing multiscale techniques support transitions between various levels of scale, they are not focused on handling dense, homogeneous objects with hidden features. We propose a novel approach that applies the concept of progressive refinement to VR navigation, enabling focused inspections. We conducted a user study where we varied two independent variables in our design, navigation style (STRUCTURED vs. UNSTRUCTURED) and display mode (SELECTION vs. EVERYTHING), to better understand their effects on efficiency and awareness during multiscale navigation. Our results showed that unstructured navigation can be faster than structured and that displaying only the selection can be faster than displaying the entire object. However, using an everything display mode can support better location awareness and object understanding.

cs.HC

Physics-Informed Transformation Toward Improving the Machine-Learned NLTE Models of ICF Simulations

The integration of machine learning techniques into Inertial Confinement Fusion (ICF) simulations has emerged as a powerful approach for enhancing computational efficiency. By replacing the costly Non-Local Thermodynamic Equilibrium (NLTE) model with machine learning models, significant reductions in calculation time have been achieved. However, determining how to optimize machine learning-based NLTE models in order to match ICF simulation dynamics remains challenging, underscoring the need for physically relevant error metrics and strategies to enhance model accuracy with respect to these metrics. Thus, we propose novel physics-informed transformations designed to emphasize energy transport, use these transformations to establish new error metrics, and demonstrate that they yield smaller errors within reduced principal component spaces compared to conventional transformations.

physics.plasm-ph

Bimodal Visualization of Industrial X-Ray and Neutron Computed Tomography Data

Advanced manufacturing creates increasingly complex objects with material compositions that are often difficult to characterize by a single modality. Our collaborating domain scientists are going beyond traditional methods by employing both X-ray and neutron computed tomography to obtain complementary representations expected to better resolve material boundaries. However, the use of two modalities creates its own challenges for visualization, requiring either complex adjustments of bimodal transfer functions or the need for multiple views. Together with experts in nondestructive evaluation, we designed a novel interactive bimodal visualization approach to create a combined view of the co-registered X-ray and neutron acquisitions of industrial objects. Using an automatic topological segmentation of the bivariate histogram of X-ray and neutron values as a starting point, the system provides a simple yet effective interface to easily create, explore, and adjust a bimodal visualization. We propose a widget with simple brushing interactions that enables the user to quickly correct the segmented histogram results. Our semiautomated system enables domain experts to intuitively explore large bimodal datasets without the need for either advanced segmentation algorithms or knowledge of visualization techniques. We demonstrate our approach using synthetic examp

cs.GR

HPAC-ML: A Programming Model for Embedding ML Surrogates in Scientific Applications

Recent advancements in Machine Learning (ML) have substantially improved its predictive and computational abilities, offering promising opportunities for surrogate modeling in scientific applications. By accurately approximating complex functions with low computational cost, ML-based surrogates can accelerate scientific applications by replacing computationally intensive components with faster model inference. However, integrating ML models into these applications remains a significant challenge, hindering the widespread adoption of ML surrogates as an approximation technique in modern scientific computing. We propose an easy-to-use directive-based programming model that enables developers to seamlessly describe the use of ML models in scientific applications. The runtime support, as instructed by the programming model, performs data assimilation using the original algorithm and can replace the algorithm with model inference. Our evaluation across five benchmarks, testing over 5000 ML models, shows up to 83.6x speed improvements with minimal accuracy loss (as low as 0.01 RMSE).

cs.DC

Enabling Additive Manufacturing Part Inspection of Digital Twins via Collaborative Virtual Reality

Digital twins (DTs) are an emerging capability in additive manufacturing (AM), set to revolutionize design optimization, inspection, in situ monitoring, and root cause analysis. AM DTs typically incorporate multimodal data streams, ranging from machine toolpaths and in-process imaging to X-ray CT scans and performance metrics. Despite the evolution of DT platforms, challenges remain in effectively inspecting them for actionable insights, either individually or in a multidisciplinary team setting. Quality assurance, manufacturing departments, pilot labs, and plant operations must collaborate closely to reliably produce parts at scale. This is particularly crucial in AM where complex structures require a collaborative and multidisciplinary approach. Additionally, the large-scale data originating from different modalities and their inherent 3D nature pose significant hurdles for traditional 2D desktop-based inspection methods. To address these challenges and increase the value proposition of DTs, we introduce a novel virtual reality (VR) framework to facilitate collaborative and real-time inspection of DTs in AM. This framework includes advanced features for intuitive alignment and visualization of multimodal data, visual occlusion management, streaming large-scale volumetric data, and collaborative tools, substantially improving the inspection of AM components and processes to fully exploit the potential of DTs in AM.

cs.HC

A Virtual Environment for Collaborative Inspection in Additive Manufacturing

Additive manufacturing (AM) techniques have been used to enhance the design and fabrication of complex components for various applications in the medical, aerospace, energy, and consumer products industries. A defining feature for many AM parts is the complex internal geometry enabled by the printing process. However, inspecting these internal structures requires volumetric imaging, i.e., X-ray CT, leading to the well-known challenge of visualizing complex 3D geometries using 2D desktop interfaces. Furthermore, existing tools are limited to single-user systems making it difficult to jointly discuss or share findings with a larger team, i.e., the designers, manufacturing experts, and evaluation team. In this work, we present a collaborative virtual reality (VR) for the exploration and inspection of AM parts. Geographically separated experts can virtually inspect and jointly discuss data. It also supports VR and non-VR users, who can be spectators in the VR environment. Various features for data exploration and inspection are developed and enhanced via real-time synchronization. We followed usability and interface verification guidelines using Nielsen's heuristics approach. Furthermore, we conducted exploratory and semi-structured interviews with domain experts to collect qualitative feedback. Results reveal potential benefits, applicability, and current limitations. The proposed collaborative VR environment provides a new basis and opens new research directions for virtual inspection and team collaboration in AM settings.

cs.HC

AVA: Towards Autonomous Visualization Agents through Visual Perception-Driven Decision-Making

With recent advances in multi-modal foundation models, the previously text-only large language models (LLM) have evolved to incorporate visual input, opening up unprecedented opportunities for various applications in visualization. Our work explores the utilization of the visual perception ability of multi-modal LLMs to develop Autonomous Visualization Agents (AVAs) that can interpret and accomplish user-defined visualization objectives through natural language. We propose the first framework for the design of AVAs and present several usage scenarios intended to demonstrate the general applicability of the proposed paradigm. The addition of visual perception allows AVAs to act as the virtual visualization assistant for domain experts who may lack the knowledge or expertise in fine-tuning visualization outputs. Our preliminary exploration and proof-of-concept agents suggest that this approach can be widely applicable whenever the choices of appropriate visualization parameters require the interpretation of previous visual output. Feedback from unstructured interviews with experts in AI research, medical visualization, and radiology has been incorporated, highlighting the practicality and potential of AVAs. Our study indicates that AVAs represent a general paradigm for designing intelligent visualization systems that can achieve high-level visualization goals, which pave the way for developing expert-level visualization agents in the future.

cs.HC

Accelerating Flow Simulations using Online Dynamic Mode Decomposition

We develop an on-the-fly reduced-order model (ROM) integrated with a flow simulation, gradually replacing a corresponding full-order model (FOM) of a physics solver. Unlike offline methods requiring a separate FOM-only simulation prior to model reduction, our approach constructs a ROM dynamically during the simulation, replacing the FOM when deemed credible. Dynamic mode decomposition (DMD) is employed for online ROM construction, with a single snapshot vector used for rank-1 updates in each iteration. Demonstrated on a flow over a cylinder with Re = 100, our hybrid FOM/ROM simulation is verified in terms of the Strouhal number, resulting in a 4.4 times speedup compared to the FOM solver.

physics.flu-dyn

Instance-wise Linearization of Neural Network for Model Interpretation

Neural network have achieved remarkable successes in many scientific fields. However, the interpretability of the neural network model is still a major bottlenecks to deploy such technique into our daily life. The challenge can dive into the non-linear behavior of the neural network, which rises a critical question that how a model use input feature to make a decision. The classical approach to address this challenge is feature attribution, which assigns an important score to each input feature and reveal its importance of current prediction. However, current feature attribution approaches often indicate the importance of each input feature without detail of how they are actually processed by a model internally. These attribution approaches often raise a concern that whether they highlight correct features for a model prediction. For a neural network model, the non-linear behavior is often caused by non-linear activation units of a model. However, the computation behavior of a prediction from a neural network model is locally linear, because one prediction has only one activation pattern. Base on the observation, we propose an instance-wise linearization approach to reformulates the forward computation process of a neural network prediction. This approach reformulates different layers of convolution neural networks into linear matrix multiplication. Aggregating all layers' computation, a prediction complex convolution neural network operations can be described as a linear matrix multiplication $F(x) = W \cdot x + b$. This equation can not only provides a feature attribution map that highlights the important of the input features but also tells how each input feature contributes to a prediction exactly. Furthermore, we discuss the application of this technique in both supervise classification and unsupervised neural network learning parametric t-SNE dimension reduction.

cs.LG

Workflows Community Summit 2022: A Roadmap Revolution

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a cloud-based data preprocessing pipeline to multi-facility instrument-to-edge-to-HPC computational workflows. Given the changing landscape of scientific computing and the evolving needs of emerging scientific applications, it is paramount that the development of novel scientific workflows and system functionalities seek to increase the efficiency, resilience, and pervasiveness of existing systems and applications. Specifically, the proliferation of machine learning/artificial intelligence (ML/AI) workflows, need for processing large scale datasets produced by instruments at the edge, intensification of near real-time data processing, support for long-term experiment campaigns, and emergence of quantum computing as an adjunct to HPC, have significantly changed the functional and operational requirements of workflow systems. Workflow systems now need to, for example, support data streams from the edge-to-cloud-to-HPC enable the management of many small-sized files, allow data reduction while ensuring high accuracy, orchestrate distributed services (workflows, instruments, data movement, provenance, publication, etc.) across computing and user facilities, among others. Further, to accelerate science, it is also necessary that these systems implement specifications/standards and APIs for seamless (horizontal and vertical) integration between systems and applications, as well as enabling the publication of workflows and their associated products according to the FAIR principles. This document reports on discussions and findings from the 2022 international edition of the Workflows Community Summit that took place on November 29 and 30, 2022.

cs.DC

Cross-GAN Auditing: Unsupervised Identification of Attribute Level Similarities and Differences between Pretrained Generative Models

Generative Adversarial Networks (GANs) are notoriously difficult to train especially for complex distributions and with limited data. This has driven the need for tools to audit trained networks in human intelligible format, for example, to identify biases or ensure fairness. Existing GAN audit tools are restricted to coarse-grained, model-data comparisons based on summary statistics such as FID or recall. In this paper, we propose an alternative approach that compares a newly developed GAN against a prior baseline. To this end, we introduce Cross-GAN Auditing (xGA) that, given an established "reference" GAN and a newly proposed "client" GAN, jointly identifies intelligible attributes that are either common across both GANs, novel to the client GAN, or missing from the client GAN. This provides both users and model developers an intuitive assessment of similarity and differences between GANs. We introduce novel metrics to evaluate attribute-based GAN auditing approaches and use these metrics to demonstrate quantitatively that xGA outperforms baseline approaches. We also include qualitative results that illustrate the common, novel and missing attributes identified by xGA from GANs trained on a variety of image datasets.

cs.LG

Single Model Uncertainty Estimation via Stochastic Data Centering

We are interested in estimating the uncertainties of deep neural networks, which play an important role in many scientific and engineering problems. In this paper, we present a striking new finding that an ensemble of neural networks with the same weight initialization, trained on datasets that are shifted by a constant bias gives rise to slightly inconsistent trained models, where the differences in predictions are a strong indicator of epistemic uncertainties. Using the neural tangent kernel (NTK), we demonstrate that this phenomena occurs in part because the NTK is not shift-invariant. Since this is achieved via a trivial input transformation, we show that this behavior can therefore be approximated by training a single neural network -- using a technique that we call $Δ-$UQ -- that estimates uncertainty around prediction by marginalizing out the effect of the biases during inference. We show that $Δ-$UQ's uncertainty estimates are superior to many of the current methods on a variety of benchmarks -- outlier rejection, calibration under distribution shift, and sequential design optimization of black box functions. Code for $Δ-$UQ can be accessed at https://github.com/LLNL/DeltaUQ

cs.LG