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At least 37 records · Page 2

Uncertainty Visualization Challenges in Decision Systems with Ensemble Data & Surrogate Models: Preprint

Uncertainty visualization is a key component in translating important insights from ensemble data into actionable decision-making by visually conveying various aspects of uncertainty within a system. With the recent advent of fast surrogate models for computationally expensive simulations, users can interact with more aspects of data spaces than ever before. However, the integration of ensemble data with surrogate models in a decision-making tool brings up new challenges for uncertainty visualization, namely how to reconcile and communicate the new and different types of uncertainties brought in by surrogates and how to utilize these new data estimates in actionable ways. In this work, we examine these issues as they relate to high-dimensional data visualization, the integration of discrete datasets and the continuous representations of those datasets, and the unique difficulties associated with systems that allow users to iterate between input and output spaces. We assess the role of uncertainty visualization in facilitating intuitive and actionable interaction with ensemble data and surrogate models, and highlight key challenges in this new frontier of computational simulation.

ensemble visualization

A Review and Outlook on Experimental Advances and Innovations in Geological CO 2 Storage: Insights from Depleted Gas Reservoirs and Saline Aquifers

Geological storage of carbon dioxide (CO 2 ) in depleted gas reservoirs and deep saline aquifers is a key part of global decarbonization efforts. As carbon capture and storage advances toward commercial-scale deployment, the credibility and scalability of laboratory experiments are increasingly vital for guiding safe and effective field implementation. This review offers a comprehensive, cross-scale evaluation of experimental methodologies, including core flooding, high-pressure, high-temperature systems, microfluidic visualization, and emerging systems such as multilayer commingled/compartmentalized core flooding, 3D-printed micromodels, and AI-powered digital twins. These innovations are demonstrated to enhance representativeness, reproducibility, and real-time insight, thereby addressing the limitations of conventional workflows. A critical analysis of methodological gaps, such as inconsistent pressure–temperature conditions, oversimplified brine chemistry, and a lack of standardization, reveals experimental sources of scale translation errors and performance uncertainty. By comparing the unique challenges of depleted gas reservoirs (such as low water saturation and legacy well leakage) to those of saline aquifers (including pressure buildup and caprock integrity), this review identifies formation-specific priorities for experimental design. Novel contributions include a synthesis of best practices, integration strategies for model calibration, and recommendations for standardizing core handling, saturation procedures, and reporting protocols. Furthermore, this work serves as a guide for developing robust, field-relevant experimental strategies that can increase the deployment and regulatory acceptance of CO 2 storage technologies at scale.

58 GEOSCIENCES

Data Analytics and Visualization of Energy Systems for Critical Infrastructure Insights

Modernization of energy systems including transportation facilities provides opportunities for increased efficiency, expansion of commerce and meeting industry and federal goals. A significant increase in electrical demand is projected to meet these needs, which concentrates at facilities such as airports. For example, Xcel Energy working with two airports in their service area recently published information projecting an up to fivefold increase in electricity demand in the next 25 years [1]. Concurrently, the US Government Accountability Office (GAO) recently surveyed 30 commercial service airports identifying more than 300 outages of more than 5 minutes between 2015 and 2022 [2]. Power, reliability, and resilience planning becomes more important to safely maintain operations and the flow of commerce with fewer energy carriers providing necessary energy to safely move passengers and goods. NREL proposes to develop methodologies to allow owners, utilities, and federal agencies to dynamically analyze, forecast, and manage energy loads at airports, focused upon maintaining the flow of commerce in an efficient, sustainable, and resilient way. To address these energy challenges, a suite of technologies and methodologies can be leveraged to validate concepts, inform design, de-risk solutions and optimize energy management during deployment. These technologies include digitalization of energy systems, microgrid methodologies, and related energy technologies for building and vehicle loads. [1] Electrifying Airport Ecosystems - https://www.enterprisemobility.com/content/dam/enterpriseholdings/marketing/innovation-in-mobility/vehicle-innovation/airport-electrification-study-full-report-2024.pdf [2] Airport Infrastructure: Selected Airport's Efforts to Enhance Electrical Resilience https://www.gao.gov/products/gao-23-105203.

critcal infrastructure

Visualization for Insight and Data Analysis in Energy Research

This talk explores how advanced visualization technologies are transforming analytical reasoning and knowledge discovery in energy research, drawing on recent work at the National Laboratory of the Rockies' Computational Science Center. Through a series of scientific case studies, we demonstrate how immersive and high-resolution visualization environments enable scientists and engineers to identify previously unseen patterns and features - insights that often remain hidden in traditional desktop-based analysis. By embedding richer information into interactive analytics tools, these approaches support the exploration of complex, multivariate parameter spaces, where interaction itself catalyzes understanding. Beyond capability, we emphasize the critical role of visualization design grounded in perception and cognition, showing how visual encodings directly influence analytical outcomes. Spanning applications from materials science to integrated energy systems, these visualization approaches accelerate innovation and improve decision-making by enabling deeper, more reliable insight into increasingly complex energy data.

97 MATHEMATICS AND COMPUTING

A Scoping Review of Mixed Initiative Visual Analytics in the Automation Renaissance

Artificial agents are increasingly integrated into data analysis workflows, carrying out tasks that were primarily done by humans. Our research explores how the introduction of automation recalibrates the dynamic between humans and automating technology. To explore this question, we conducted a scoping review encompassing twenty years of mixed-initiative visual analytic systems. To describe and contrast the relationship between humans and automation, we developed an integrated taxonomy to delineate the objectives of these mixed-initiative visual analytics tools, how much automation they support, and the assumed roles of humans. Here, we describe our qualitative approach of integrating existing theoretical frameworks with new codes we developed. Our analysis shows that the visualization research literature lacks consensus on the definition of mixed-initiative systems and explores a limited potential of the collaborative interaction landscape between people and automation. Our research provides a scaffold to advance the discussion of human-AI collaboration during visual data analysis. Our integrated taxonomy is available in the form of a web application on https://smonadjemi.github.io/miva.

Monadjemi, Shayan [ORNL] (ORCID:0000000293855969)

OptiBench: An Optimization Benchmark Tool for Renewable Energy Problems

We propose a benchmark framework and visualization tool, OptiBench, for analyzing the performance of state-of-the-art optimization solvers across a variety of optimization problems in renewable energy research. Our framework is designed from the ground up in the Julia programming language and enables analysis at scale on high performance computing (HPC) systems. Our visualization tool allows effortless evaluation of optimization solver performance, robustness, and accuracy through intuitive plots, e.g., performance profiles, heat maps, and distribution plots. We have tested three benchmark suites relevant to the modeling of renewable energy systems, viz., CUTEst, PGLib-OPF, and WaterTAP water treatment optimization problems. We illustrate benchmarking of CUTEst using OptiBench on the National Renewable Energy Laboratory's (NREL) HPC Kestrel. Our findings indicate that MA57 HSL linear solver demonstrated the best overall performance for an experimental IPOPT implementation. Our work is ongoing and we intend to add support for more optimization solvers and benchmark test suites in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

OptiBench: An Optimization Benchmark Tool for Renewable Energy Problems

We propose a benchmark framework and visualization tool, OptiBench, for analyzing the performance of state-of-the-art optimization solvers across a variety of optimization problems in renewable energy research. Our framework is designed from the ground up in the Julia programming language and enables analysis at scale on high performance computing (HPC) systems. Our visualization tool allows effortless evaluation of optimization solver performance, robustness, and accuracy through intuitive plots, e.g., performance profiles, heat maps, and distribution plots. We have tested three benchmark suites relevant to the modeling of renewable energy systems, viz., CUTEst, PGLib-OPF, and WaterTAP water treatment optimization problems. We illustrate benchmarking of CUTEst using OptiBench on the National Laboratory of the Rockies's (NLR) HPC Kestrel. Our findings indicate that MA57 HSL linear solver demonstrated the best overall performance for an experimental IPOPT implementation. Our work is ongoing and we intend to add support for more optimization solvers and benchmark test suites in the future.

97 MATHEMATICS AND COMPUTING

Smartphone application for visualizing building air leakage

Annually, unwanted air leakage through building envelopes accounts for 4 quads of energy consumption in the United States, which translates to about 10% of total building energy consumption. Locating and sealing leakage sites is crucial fordecreasing building energy consumption. Smartphones are ubiquitous and contain sophisticated cameras and highperformance processors that could be employed to visualize air leakage using the background-oriented schlieren imaging technique, making leak detection cheaper and easier. This technique requires a textured and high-contrast background such as a brick or concrete masonry unit wall, a building air leak that has a temperature difference compared with the ambient air, and an imaging system. This work focuses on using smartphones as the imaging system to visualize air leakages. The paper discusses application development and the results of testing to determine leakage visualization performance as a function of leak temperature. The results show that leaks with a temperature difference greater than 16°C compared with the ambient air temperature were visualized using existing smartphones.

Boudreaux, Philip [ORNL] (ORCID:0000000229564665)

Ultrabroadband Spacetime Nanoscopy of Terahertz Polaritons in a van der Waals Cavity

Guiding, storing, and processing light at the nanoscale hinges on understanding how polaritons — hybrid quasiparticles of light and matter — propagate and interfere in both space and time. This work introduces a synchrotron-based technique, SYnchrotron SpaceTimE Mapping (SYSTEM), which captures real-time evolution of polariton wave packets with ∼10 nm spatial and sub-100 fs temporal resolution across an ultrabroadband 5–50 THz range. Here, SYSTEM directly visualizes the creation, interference, and decay of multiple high-quality Fabry-Pérot phonon polariton cavity modes in an α-MoO 3 microcavity. These real-space, real-time observations reveal wave-packet dynamics and cavity resonances with record-high quality factors (Q ≈ 100) in the single-digit terahertz regime near 9 THz. SYSTEM thus offers a powerful and broadly applicable platform for probing and engineering ultraslow, deeply subwavelength polaritons, opening new avenues for tailoring light–matter interactions and advancing next-generation THz nanophotonic technologies.

36 MATERIALS SCIENCE

SigTime: Learning and Visually Explaining Time Series Signatures

Understanding and distinguishing temporal patterns in time series data is essential for scientific discovery and decision-making. For example, in biomedical research, uncovering meaningful patterns in physiological signals can improve diagnosis, risk assessment, and patient outcomes. However, existing methods for time series pattern discovery face major challenges, including high computational complexity, limited interpretability, and difficulty in capturing meaningful temporal structures. Here, to address these gaps, we introduce a novel learning framework that jointly trains two Transformer models using complementary time series representations: shapelet-based representations to capture localized temporal structures and traditional feature engineering to encode statistical properties. The learned shapelets serve as interpretable signatures that differentiate time series across classification labels. Additionally, we develop a visual analytics system—SigTime—with coordinated views to facilitate exploration of time series signatures from multiple perspectives, aiding in useful insights generation. We quantitatively evaluate our learning framework on eight publicly available datasets and one proprietary clinical dataset. Additionally, we demonstrate the effectiveness of our system through two usage scenarios along with the domain experts: one involving public ECG data and the other focused on preterm labor analysis.

97 MATHEMATICS AND COMPUTING

Imaging of a van der Waals spin-orbit torque system using spin ensembles in hBN

Recently, optically active spin defects embedded in two-dimensional (2D) van der Waals (vdW) crystals have emerged as a transformative quantum sensing platform to explore cutting-edge materials science. Taking advantage of excellent solid-state integrability, this new class of spin defects can be readily arranged in nanoscale proximity to target materials, showing great promise for realizing in-situ quantum sensing of microscopic spin and charge behaviors in vdW heterostructures. Here we report hexagonal boron nitride-based quantum imaging of field-free deterministic magnetic switching and electric current distributions in an all-vdW spin-orbit torque (SOT) system. By visualizing variations of nanoscale magnetic stray field profile of room-temperature 2D magnet Fe 3 GaTe 2 under different SOT conditions, we show how the magnetic switching evolves from deterministic to stochastic behavior due to the interplay between spin orientations, anisotropy and Joule heating. Micromagnetic simulations rationalize our results well, revealing the role of field-like SOT in inhibiting thermal fluctuation driven stochastic switching and chaotic multi-domain competition. This understanding, which is otherwise difficult to access by conventional transport measurements, offers valuable insights into material design, testing, and performance evaluation of next-generation vdW spintronic devices.

Imaging techniques

An interactive machine learning platform for analyzing multi-particle coincidence data from cold target recoil ion momentum spectroscopy

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) experiments. The software addresses critical challenges in modern momentum spectroscopy by integrating advanced machine learning techniques with physics-informed analysis in an interactive web-based environment. SCULPT implements uniform manifold approximation and projection for non-linear dimensionality reduction to reveal correlations in high-dimensional data. We also discuss potential extensions to deep autoencoders for feature learning and genetic programming for automated discovery of physically meaningful observables. A novel adaptive confidence scoring system provides quantitative reliability assessments by evaluating user-selected clustering quality metrics with predefined weights that reflect each metric’s robustness. The platform features configurable molecular profiles for different experimental systems, interactive visualization with selection tools, and comprehensive data filtering capabilities. Utilizing a subset of SCULPT’s capabilities, we analyze photo-double-ionization data measured using the COLTRIMS method for three-body dissociation of the D 2 O molecule, revealing distinct fragmentation channels and their correlations with physics parameters. The software’s modular architecture and web-based implementation make it accessible to the broader atomic and molecular physics community, significantly reducing the time required for complex multi-dimensional analyses. This opens the door to finding and isolating rare events exhibiting non-linear correlations on the fly during experimental measurements, which can help steer exploration and improve the efficiency of experiments.

Artificial neural networks

MolSieve

Visual analytics system for analyzing long-duration molecular dynamics trajectories.

Hnatyshyn, Rostyslav [@VADERASU]

pnnl/HADREC (33077-E)

This HADREC GUI is designed to visualize power system emergency control time-series data and facilitate the comparison of the newly developed meta strategy optimization algorithm-based emergency control with existing out-of-step-based emergency control approach, and a no-action case for reference.

Wang, Heng [Pacific Northwest National Laboratory

SMART – A Comprehensive Research and Development Program to Demonstrate Application of Machine Learning for Supporting CCS Deployment

Presentation material for a paper presented at the GHGT-17 conference, Calgary, Canada, October 20-24, 2024. The objective of the US Department of Energy’s SMART Initiative, i.e., Science-informed Machine Learning (ML) for Accelerating Real-Time Decisions in Subsurface Applications, is to showcase how the utilization of ML can significantly improve efficiency and effectiveness of field-scale commercial carbon storage operations. This paper will present the results from the current phase of SMART (field deployment) for demonstrating the applicability of ML-based tools and workflows for: (a) virtual learning during the pre-injection permitting phase, (b) advanced storage reservoir imaging to better characterize fractures and faults, and (c) dynamic storage reservoir modelling and optimization to inform operational decision making and visualization of system evolution.

CO2 geologic storage

Defect Detection Model Development for Large Scale Thermoplastic Printing

Large-format additive manufacturing (LFAM) offers several advantages, including high throughput, cost-effective pellet-fed extrusion, and the capability to produce large-scale structures. The main pain points of LFAM include start and stops during the printing process, warpage, long layer times that lead to bead freezing, and bead separation due to shrinkage. These issues can lead to overfill, underfill and buildup of material in different sections of a print. This can lead to hidden defects embedded within the printed layers, or even ultimate failure of the printed structure. This ensures these defects can only be identified through nondestructive testing (NDT) inspection methods after printing, which can be timely and costly. Aligned Vision work specializes in 2D projectors with visual inspection systems and machine learning. Traditionally system is used for composite layup and layup inspections. In this work we used the LFAM system at Oak Ridge National Laboratory to create defect rich samples. The Aligned Vision inspection system then performed in-situ monitoring of the print process after each part was printed. This in-situ vision inspection system was used to develop a layer-by-layer inspection model that looks for overfill, underfill, and the buildup of defects using only a camera-based vision system. This leads to the assurance of high-quality production components.

36 MATERIALS SCIENCE

SMART – A Comprehensive Research and Development Program to Demonstrate Application of Machine Learning for Supporting CCS Deployment

The objective of the US Department of Energy’s SMART Initiative, i.e., Science-informed Machine Learning (ML) for Accelerating Real-Time Decisions in Subsurface Applications, is to showcase how the utilization of ML can significantly improve efficiency and effectiveness of field-scale commercial carbon storage operations. This paper will present the results from the current phase of SMART (field deployment) for demonstrating the applicability of ML-based tools and workflows for: (a) virtual learning during the pre-injection permitting phase, (b) advanced storage reservoir imaging to better characterize fractures and faults, and (c) dynamic storage reservoir modelling and optimization to inform operational decision making and visualization of system evolution.

Siriwardane, Hema