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At least 505 records · Page 28

A simulation framework for evaluating electronic order workflows in integrated health records

Electronic health record (EHR) systems are critical to modern healthcare delivery, yet the dynamic workflows that govern electronic order processing remain underexplored. Inefficiencies in these digital pathways can cause delays in care, repetitive workloads, and even patient harm. This study presents a discrete-event simulation framework used to reconstruct and evaluate EHR-based order workflows in a large integrated healthcare system. Using real-world data extracted from the Veterans Health Administration’s Corporate Data Warehouse, the authors mapped order events to standardized state transitions and modeled their progression across different facilities of varying complexity levels. After being calibrated with empirical distributions of transition times and validated against observed time-in-system metrics, the simulation demonstrates close alignment with historical performance. Scenario analyses reveal that resource capacity constraints significantly amplify the impact of electronic order surges, which are reflected in the disproportionate growth in backlogs and processing delays. Adjustments in transition probabilities further increased recirculation and extended workflow paths. Network-based analysis identified Reserved, InProgress, and Completed as structurally critical states that function as hubs within the process network but the transitions in-between also act as major bottlenecks. These results showcased the effectiveness of simulation-based approaches in monitoring EHR order processing performance and evaluating consequences of workflow changes on healthcare network resources planning. The proposed simulation framework provides a scalable data-driven tool to support operational decision-making and improve the efficiency of electronic order management in complex healthcare environments.

Engineering↗

AI and simulation: What can they learn from each other

Simulation and Artificial Intelligence share a fertile common ground both from a practical and from a conceptual point of view. Strengths and weaknesses of both Knowledge Based System and Modeling and Simulation are examined and three types of systems that combine the strengths of both technologies are discussed. These types of systems are a practical starting point, however, the real strengths of both technologies will be exploited only when they are combined in a common knowledge representation paradigm. From an even deeper conceptual point of view, one might even argue that the ability to reason from a set of facts (i.e., Expert System) is less representative of human reasoning than the ability to make a model of the world, change it as required, and derive conclusions about the expected behavior of world entities. This is a fundamental problem in AI, and Modeling Theory can contribute to its solution. The application of Knowledge Engineering technology to a Distributed Processing Network Simulator (DPNS) is discussed.

Colombano, Silvano P.↗

PS3: The Pheno-Synthesis software suite for integration and analysis of multi-scale, multi-platform phenological data

Phenology is the study of recurring plant and animal life-cycle stages which can be observed across spatial and temporal scales that span orders of magnitude (e.g., organisms to landscapes). The variety of scales at which phenological processes operate is reflected in the range of methods for collecting phenologically relevant data, and the programs focused on these collections. Consideration of the scale at which phenological observations are made, and the platform used for observation, is critical for the interpretation of phenological data and the application of these data to both research questions and land management objectives. However, there is currently little capacity to facilitate access, integration and analysis of cross-scale, multi-platform phenological data. This paper reports on a new suite of software and analysis tools – the “Pheno-Synthesis Software Suite,” or PS3 – to facilitate integration and analysis of phenological and ancillary data, enabling investigation and interpretation of phenological processes at scales ranging from organisms to landscapes and from days to decades. We use PS3 to investigate phenological processes in a semi-aride, mixed shrub-grass ecosystem, and find that the apparent importance of seasonal precipitation to vegetation activity (i.e., “greenness”) is affected by the scale and platform of observation. We end by describing potential applications of PS3 to phenological modeling and forecasting, understanding patterns and drivers of phenological activity in real-world ecosystems, and supporting agricultural and natural resource management and decision-making.

54 ENVIRONMENTAL SCIENCES↗

Latent Twins

Over the past decade, scientific machine learning has transformed the development of mathematical and computational frameworks for analyzing, modeling, and predicting complex systems. From inverse problems to numerical partial differential equations (PDEs), dynamical systems, and model reduction, these advances have pushed the boundaries of what can be simulated. Yet they have often progressed in parallel, with representation learning and algorithmic solution methods evolving largely as separate pipelines. With Latent Twins, we propose a unifying mathematical framework that creates a hidden surrogate in latent space for the underlying equations. Whereas digital twins mirror physical systems in the digital world, Latent Twins mirror mathematical systems in a learned latent space governed by operators. Through this lens, classical modeling, inversion, model reduction, and operator approximation all emerge as special cases of a single principle. We establish the fundamental approximation properties of Latent Twins for both ordinary differential equations (ODEs) and PDEs and demonstrate the framework across three representative settings: (i) canonical ODEs, capturing diverse dynamical regimes; (ii) a PDE benchmark using the shallow-water equations, contrasting Latent Twin simulations with deep operator network and forecasts with a four-dimensional variational method baseline; and (iii) a challenging real-data geopotential reanalysis dataset, reconstructing and forecasting from sparse, noisy observations. Latent Twins provide a compact, interpretable surrogate for solution operators that evaluate across arbitrary time gaps in a single-shot, while remaining compatible with scientific pipelines such as assimilation, control, and uncertainty quantification. Looking forward, this framework offers scalable, theory-grounded surrogates that bridge data-driven representation learning and classical scientific modeling across disciplines.

Latent Twins↗

Developing an Automated Microscopic Traffic Simulation Scenario Generation Tool

Traffic simulation is an effective tool for urban planners, traffic engineers, and researchers to study traffic. In particular, microscopic traffic simulation, which simulates individual vehicles’ movements within a transportation network, has demonstrated its importance in analyzing and managing transportation systems. However, integrating data from various sources, generating traffic scenarios, and importing information into traffic simulators to conduct microscopic simulations have always been a challenge. This paper presents a solution to overcome this challenge: RealTwin, a comprehensive tool for automated scenario generation for microscopic traffic simulation. Following a streamlined scenario generation and calibration workflow, RealTwin effectively bridges gaps between traffic data from various sources and traffic simulators, making microscopic traffic simulation more accessible for researchers and engineers across various levels of expertise. Using RealTwin to generate a real-world traffic scenario in Simulation of Urban Mobility (SUMO), VISSIM, and AIMSUN, RealTwin’s ability is demonstrated in the construction of realistic and consistent traffic scenarios in different simulators. Furthermore, this paper introduces and illustrates RealTwin’s capability for technology (e.g., autonomous vehicle) scenario generation. This feature can contribute to more comprehensive microscopic simulations, facilitating the analysis of potential effects of various technological innovations on mobility, energy efficiency, and safety. Finally, RealTwin is used to calibrate a simulation in SUMO. In conclusion, the calibration module enhances RealTwin’s ability to generate consistent simulations across different platforms and more realistic simulations that reflect real-world traffic operations.

autonomous vehicle↗

Machine Learning‐Guided Discovery of High‐Entropy Perovskite Oxide Electrocatalysts via Oxygen Vacancy Engineering

Abstract High‐entropy perovskite oxides (HEPOs) have recently emerged as multifunctional catalysts. However, the HEPOs’ structural and compositional complexity hinders the easy and accurate extrapolation of activity indicators, which are essential for establishing structure‐property correlations. Here, OxiGraphX, is introduced as a novel graph neural network (GNN) model designed to capture the complex relationships among structure, composition, and atomic chemical environments for accurate prediction of oxygen vacancy formation energies (OVFEs) in HEPOs. By integrating machine learning (ML), density functional theory (DFT), and experimental validation, this work demonstrates an efficient framework for rapidly and accurately screening HEPO electrocatalysts for oxygen evolution reaction (OER). The OxiGraphX predicts OVFEs with a precision exceeding existing data, enabling the identification of compositions of higher oxygen vacancy content (OVC) and, thus, higher catalytic activity. Furthermore, the model explores latent spaces that translate effectively into experimental domains, bridging computational predictions with real‐world applications. This approach accelerates the discovery of high‐performance HEPO catalysts while providing deeper insights into their catalytic mechanisms.

Chemistry↗

From clutter to clarity: Emergent neural operators via questionnaire metrics

Real-world datasets in chemical engineering and bioengineering processes—such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials—can often be unlabeled or disorganized, rendering the training of existing supervised learning models ineffective at learning the underlying dynamics. To salvage these datasets for decision-making, we first seek to obtain clarity from the cluttered data. Here, we present a framework for developing “structural” generative models, discovering emergent equations, and constructing efficient emulators from scrambled datasets by integrating unsupervised organizational learning techniques (Questionnaires) with advanced deep learning architectures (Deep Hidden Physics Models and Deep Operator Networks). Our approach is demonstrated on two illustrative model systems: (a) a 1D advection–diffusion partial differential equation representing a winding underground pipe and (b) an ensemble of Stuart–Landau oscillators, an agent-based system of coupled ordinary differential equations. In both cases, we successfully reconstruct meaningful spatial, temporal, and parameter embeddings from scrambled data, enabling good predictions of system dynamics. As a result, we highlight the framework’s potential for broader applications, enabling data-driven system identification in fields with inherently disorganized or hidden parameter spaces.

42 ENGINEERING↗

Exploring the Use of Novel Spatial Accelerators in Scientific Applications

Driven by the need to find alternative accelerators which can viably replace GPUs in next-generation Supercomputing systems, this paper proposes a methodology to enable agile application/hardware co-design. The application-first methodology provides the ability to come up with design of accelerators while working with real-world workloads, available accelerators, and system software. The iterative design process targets a set of kernels in a workload for performance estimates that can prune the design space for later phases of detailed architectural evaluations. To this effect, in this paper, a novel data-parallel device model is introduced that simulates the latency of performance-sensitive operations in an accelerator including data transfers and kernel computation using multi-core CPUs. The use of off-the-shelf simulators, such as pre-RTL simulator Aladdin or multiple tools available for exploring the design of deep neural network accelerators (e.g., Timeloop) is demonstrated for evaluation of various accelerator designs using applications with realistic inputs. Examples of multiple device configurations that are instantiable in a system are explored to evaluate the performance benefit of deploying novel accelerators. The proposed device is integrated with a programming model and system software to potentially explore the impacts of high-level programming languages/compilers and low-level effects such as task scheduling on multiple accelerators. We analyze our methodology for a set of applications that represent high-performance computing (HPC) and graph analytics. The applications include a computational chemistry kernel realized using tensor contractions, triangle counting, GraphSAGE and Breadth-first Search. These applications include kernels such as dense matrix-dense matrix multiplication, sparse matrix-spare matrix multiplication, and sparse matrix-dense vector multiplication. Our results indicate potential performance benefits and insights for system design by including accelerators that realize these kernels along-side general purpose accelerators.

AI, codesign, Accelerated Computing, Modeling and ↗

A hardware-in-the-loop (HIL) testbed for cyber-physical energy systems in smart commercial buildings

In recent years, there has been a growing trend toward the development of smart buildings that rely on cyber-physical systems (CPS) to optimize occupant comfort, safety, and energy efficiency. To ensure the reliable and efficient operation of CPS with designed control strategies, it is important to evaluate their performance under various scenarios before deploying them in the real world. This is where a Hardware-in-the-loop (HIL) testbed designed for studying sensor and control-related studies in smart buildings can be highly valuable. With the growing threat of cyber-attacks and physical faults targeting smart buildings, it is essential to ensure the security of building operations. A HIL testbed can emulate cyber-attack and physical fault scenarios, allowing researchers to develop and test threat detection and mitigation algorithms. This enables researchers to identify potential issues and optimize the algorithms in a safe and controlled environment before they are deployed in real-world settings, reducing the risk of failures that can negatively impact occupant comfort, safety, and energy efficiency. Therefore, this paper developed a HIL testbed designed for cyber-physical energy systems (e.g. buildings automation system (BAS)) in smart commercial buildings. The HIL testbed is comprised of a real-time building and Heating, Ventilation, and Air-Conditioning (HVAC) emulator using Modelica-based dynamic models, a set of BAS controllers, and a BAS computer server. The data generation capability of the HIL testbed is demonstrated by tracking normal and faulty operating data in the BAS, as well as monitoring detailed network traffic in the local BAS network. Here, this study further demonstrates the HIL testbed’s capability by conducting case studies on real-time physical fault and cyber-attack experiments using a Department of Energy (DOE) prototype commercial building. It is anticipated that the fully functional HIL testbed will be utilized for a variety of sensor and control-related studies, including but not limited to testing, developing, validating of different HVAC control strategies, fault detection & diagnosis, energy monitoring and analysis, cyber security study, etc.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗

Control Architecture for Robotic Agent Command and Sensing

Control Architecture for Robotic Agent Command and Sensing (CARACaS) is a recent product of a continuing effort to develop architectures for controlling either a single autonomous robotic vehicle or multiple cooperating but otherwise autonomous robotic vehicles. CARACaS is potentially applicable to diverse robotic systems that could include aircraft, spacecraft, ground vehicles, surface water vessels, and/or underwater vessels. CARACaS incudes an integral combination of three coupled agents: a dynamic planning engine, a behavior engine, and a perception engine. The perception and dynamic planning en - gines are also coupled with a memory in the form of a world model. CARACaS is intended to satisfy the need for two major capabilities essential for proper functioning of an autonomous robotic system: a capability for deterministic reaction to unanticipated occurrences and a capability for re-planning in the face of changing goals, conditions, or resources. The behavior engine incorporates the multi-agent control architecture, called CAMPOUT, described in An Architecture for Controlling Multiple Robots (NPO-30345), NASA Tech Briefs, Vol. 28, No. 11 (November 2004), page 65. CAMPOUT is used to develop behavior-composition and -coordination mechanisms. Real-time process algebra operators are used to compose a behavior network for any given mission scenario. These operators afford a capability for producing a formally correct kernel of behaviors that guarantee predictable performance. By use of a method based on multi-objective decision theory (MODT), recommendations from multiple behaviors are combined to form a set of control actions that represents their consensus. In this approach, all behaviors contribute simultaneously to the control of the robotic system in a cooperative rather than a competitive manner. This approach guarantees a solution that is good enough with respect to resolution of complex, possibly conflicting goals within the constraints of the mission to be accomplished by the vehicle(s).

Huntsberger, Terrance↗

Development of Neural Network for X-59 Air Data Probe Calibration

Two wind tunnel tests were conducted in the NASA Glenn Research Center (GRC) 8- by 6-Foot Supersonic Wind Tunnel to calibrate the nose-mounted air data probe for the X-59. The probe will be the primary instrument for the flight test of the X-59 for determining angle of attack, angle of sideslip, airspeed, and pressure altitude of the aircraft in flight. This paper documents the development of several neural net algorithms that can be used to relate air data probe port pressures from those tests to relevant X-59 flight parameters, such as angle of attack, angle of sideslip, mach number, and static and dynamic pressure. These calibration algorithms address accuracy effects for significant real-world conditions, such as initial sensor measurement uncertainties, assumed parameter constraints on NN modelling errors, and malfunctioning or plugged ports. Resultant integrated uncertainties are provided for each algorithm; these uncertainties are then used to estimate the effects on relevant X-59 mission parameters.

Kurtis Roy Long↗

Sim-to-real supervised domain adaptation for radioisotope identification

Machine learning has the potential to improve the speed and reliability of radioisotope identification using gamma spectroscopy. However, meticulously labeling an experimental dataset for training is often prohibitively expensive, while training models purely on synthetic data is risky due to the domain gap between simulated and experimental measurements. In this research, we demonstrate that supervised domain adaptation can substantially improve the performance of radioisotope identification models by transferring knowledge between synthetic and experimental data domains. We consider two domain adaptation scenarios: (1) a simulation-to-simulation adaptation, where we perform multi-label proportion estimation using simulated high-purity germanium detectors, and (2) a simulation-to-experimental adaptation, where we perform multi-class, single-label classification using measured spectra from handheld lanthanum bromide (LaBr) and sodium iodide (NaI) detectors. We begin by pretraining a spectral classifier on synthetic data using a custom transformer-based neural network. After subsequent fine-tuning on just 64 labeled experimental spectra, we achieve a test accuracy of 96% in the sim-to-real scenario with a LaBr detector, far surpassing a synthetic-only baseline model (75%) and a model trained from scratch (80%) on the same 64 spectra. Furthermore, we demonstrate that domain-adapted models learn more human-interpretable features than experiment-only baseline models. Overall, our results highlight the potential for supervised domain adaptation techniques to bridge the sim-to-real gap in radioisotope identification, enabling the development of accurate and explainable classifiers even in real-world scenarios where access to experimental data is limited.

Lalor, Peter W.↗

Pathways of clean energy heating electrification programs for reducing carbon emissions in Northwest China

We report clean energy heating electrification programs provide a promising way to reduce carbon emissions from fossil fuel combustion and consumption. This work studies the cost competitiveness of clean energy heating technologies under three dynamic mechanisms: investment costs, subsidy policies, and operating costs with real data. It provides key insights into the cost competitiveness of the different heating technologies deployed in different areas, as well as their sensitivity to the three dynamic mechanisms. The results show that currently, the distinct heating programs are more cost-efficient in the urban area with existing heating networks. The average payback period of all district clean energy heating programs in the urban area is 14.9 years, while that of the individual clean heating programs is 24.7 years. The individual heating programs are becoming increasingly cost-competitive with the incentive mechanisms, especially the electricity pricing mechanisms. Moreover, individual heating technologies present remarkable advantages on flexibility and sustainability in the long run. According to the technology diffusion model proposed in this paper, the individual clean heating programs will occupy more than 50% of the market share in 2050 under the comprehensive effect of CAPEX, government subsidies, and OPEX. The real-world results and analysis render references to shape the pathway of clean energy heating electrification in Northwest China and other regions with a similar situation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Assessing Dynamic Behaviors in Converter- Dominated Power Systems via RMS and EMT Simulations: A Study of Hawaii’s NELHA Microgrid

The transition from conventional power systems to converter-based microgrids has significantly advanced sustainability, clean energy integration, and operational reliability. However, this paradigm shift introduces operational challenges due to the intermittent nature of renewable energy sources and the non-linear characteristics of power electronic loads, inducing voltage fluctuations and harmonic distortions that complicate voltage and frequency regulation. Accurate dynamic modeling is hypothesized to be critical for capturing such effects, enabling reliable simulation and control strategy development. This study introduces an innovative dynamic modeling framework for a real-world converter-based microgrid, utilizing both root mean square (RMS) and electromagnetic transient (EMT) simulation methods. The microgrid was modeled in DIgSILENT PowerFactory, with simulations calibrated against high-resolution field measurements from SEL-735 power quality meters. Results show that RMS simulations effectively characterize steady-state dynamics, while EMT simulations are essential for capturing high-frequency transients and non-linear effects from photovoltaic inverters and variable frequency drives (VFDs). This complementary approach provides a comprehensive understanding of microgrid behavior, providing critical insights for improving simulation accuracy, advancing protection schemes, and improving resilience in future low-inertia power networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A convertor and user interface to import CAD files into worldtoolkit virtual reality systems

Virtual Reality (VR) is a rapidly developing human-to-computer interface technology. VR can be considered as a three-dimensional computer-generated Virtual World (VW) which can sense particular aspects of a user's behavior, allow the user to manipulate the objects interactively, and render the VW at real-time accordingly. The user is totally immersed in the virtual world and feel the sense of transforming into that VW. NASA/MSFC Computer Application Virtual Environments (CAVE) has been developing the space-related VR applications since 1990. The VR systems in CAVE lab are based on VPL RB2 system which consists of a VPL RB2 control tower, an LX eyephone, an Isotrak polhemus sensor, two Fastrak polhemus sensors, a folk of Bird sensor, and two VPL DG2 DataGloves. A dynamics animator called Body Electric from VPL is used as the control system to interface with all the input/output devices and to provide the network communications as well as VR programming environment. The RB2 Swivel 3D is used as the modelling program to construct the VW's. A severe limitation of the VPL VR system is the use of RB2 Swivel 3D, which restricts the files to a maximum of 1020 objects and doesn't have the advanced graphics texture mapping. The other limitation is that the VPL VR system is a turn-key system which does not provide the flexibility for user to add new sensors and C language interface. Recently, NASA/MSFC CAVE lab provides VR systems built on Sense8 WorldToolKit (WTK) which is a C library for creating VR development environments. WTK provides device drivers for most of the sensors and eyephones available on the VR market. WTK accepts several CAD file formats, such as Sense8 Neutral File Format, AutoCAD DXF and 3D Studio file format, Wave Front OBJ file format, VideoScape GEO file format, Intergraph EMS stereolithographics and CATIA Stereolithographics STL file formats. WTK functions are object-oriented in their naming convention, are grouped into classes, and provide easy C language interface. Using a CAD or modelling program to build a VW for WTK VR applications, we typically construct the stationary universe with all the geometric objects except the dynamic objects, and create each dynamic object in an individual file.

Wang, Peter Hor-Ching↗

Efficient Reinforcement Learning for Real-Time Hardware-Based Energy System Experiments: Preprint

In the context of urgent climate challenges and the pressing need for rapid technology development, Reinforcement Learning (RL) stands as a compelling data-driven method for controlling real-world physical systems. However, RL implementation often entails time-consuming and computationally intensive data collection and training processes, rendering them inefficient for real-time applications that lack non-real-time models. To address these limitations, real-time emulation techniques have emerged as valuable tools for the lab-scale rapid prototyping of intricate energy systems. While emulated systems offer a bridge between simulation and reality, they too face constraints, hindering comprehensive characterization, testing, and development. In this research, we construct a surrogate model using limited data from simulated systems, enabling an efficient and effective training process for a Double Deep Q-Network (DDQN) agent for future deployment. Our approach is illustrated through a hydropower application, demonstrating the practical impact of our approach on climate-related technology development.

deep Q-learning↗

Economics of electric vehicle corridor fast charging in the United States

Corridor direct-current fast charging (DCFC) stations enable long-distance electric vehicle travel, yet their economics remain uncertain due to high capital costs, low initial utilization, and exposure to utility demand charges. This study evaluates the long-term economics of corridor DCFC across the United States, incorporating capital and operating expenses-including charging equipment and real-world utility tariffs-alongside modeled station utilization, financial incentives, and ancillary retail revenue. In the Baseline scenario, modeled breakeven costs for corridor DCFC average $\$$0.42/kWh over 20 years, yet fewer than half of stations reach cost parity with gasoline on a per-mile basis. Utilization is the primary driver of cost variation, with low-utilization stations costing roughly six times more per kilowatt-hour than the national average. Excluding stations that fail to reach cost parity reduces National Highway System coverage within 50 miles from 94% to 67%, underscoring the trade-off between market-driven deployment and comprehensive network coverage. These results provide guidance for charging providers, utilities, planners, and policymakers seeking to develop and sustain a financially viable national corridor charging network.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗