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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evaluating the Interplay between Trajectory Segmentation and Mode Inference Error

Travel behavior changes are essential to transportation decarbonization. Travel diaries, consisting of sequences of trips between places, are typically used to instrument human travel behavior. However, these diaries are only as accurate as the underlying methods used to construct them. Travel diary algorithms have been a popular research topic since the advent of Global Positioning System tracking surveys. These algorithms have typically been validated using prompted recall of presegmented trips, thus disregarding the continuity of mode inference. Phone operating systems have adopted battery-conserving techniques, but the resulting data collection errors have not been studied extensively. We introduce a framework to evaluate the accuracy of trip length computations and mode inference by analyzing continuous mode-segmented trajectories for groups of trips. We then use the framework to identify the input data quality and the impact of postprocessing. Our primary inputs to this evaluation are MobilityNet, a public dataset containing information from three artificial timelines covering 15 different travel modes, and sample open-source travel diary creation algorithms from the OpenPATH project. Our framework concretely shows that the variance of the distance error drops from (0.217, 0.0848) to (o.011, 0.0407) (Android, iOS) after postprocessing. Similarly, the weighted F-scores for mode inference increase from (0.25, 0.29) to (0.60, 0.74) (iOS, Android) between random forest and geographic information system-based models. We hope that this standardized method will be adapted to evaluate other, potentially proprietary, travel diary algorithms. Finally, the results can be used to understand and improve the state of the art in the travel diary creation field.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

EdgeAI: Machine learning via direct attached accelerator for streaming data processing at high shot rate x-ray free-electron lasers

We present a case for low batch-size inference with the potential for adaptive training of a lean encoder model. We do so in the context of a paradigmatic example of machine learning as applied in data acquisition at high data velocity scientific user facilities such as the Linac Coherent Light Source-II x-ray Free-Electron Laser. We discuss how a low-latency inference model operating at the data acquisition edge can capitalize on the naturally stochastic nature of such sources. We simulate the method of attosecond angular streaking to produce representative results whereby simulated input data reproduce high-resolution ground truth probability distributions. By minimizing the mean-squared error between the decoded output of the latent representation and the ground truth distributions, we ensure that the encoding layers and resulting latent representation maintains full fidelity for any downstream task, be it classification or regression. We present throughput results for data-parallel inference of various batch sizes, some with throughput exceeding 100 k images per second. We also show in situ training below 10 s per epoch for the full encoder–decoder model as would be relevant for streaming and adaptive real-time data production at our nation’s scientific light sources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Learning turbulent flows with generative models for super resolution and sparse flow reconstruction

Neural operators are promising surrogates for dynamical systems but when trained with standard L 2 losses they tend to oversmooth fine-scale turbulent structures. Here, we show that combining operator learning with generative modeling overcomes this limitation. We consider three practical turbulent-flow challenges where conventional neural operators fail: spatio-temporal super-resolution, forecasting, and sparse flow reconstruction. For Schlieren jet super-resolution, an adversarially trained neural operator (adv-NO) reduces the energy-spectrum error by 15 × while preserving sharp gradients at neural operator-like inference cost. For 3D homogeneous isotropic turbulence, adv-NO trained on only 160 timesteps from a single trajectory forecasts accurately for five eddy-turnover times and offers 114 × wall-clock speed-up at inference than the baseline diffusion-based forecasters, enabling near-real-time rollouts. For reconstructing cylinder wake flows from highly sparse Particle Tracking Velocimetry-like inputs, a conditional generative model infers full 3D velocity and pressure fields with correct phase alignment and statistics. These advances enable accurate reconstruction and forecasting at low compute cost, bringing near-real-time analysis and control within reach in experimental and computational fluid mechanics.

Fluid dynamics↗
DOE OSTI2024

VpROM: a novel variational autoencoder-boosted reduced order model for the treatment of parametric dependencies in nonlinear systems

Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction, such as Proper Orthogonal Decomposition. The limitation of the linear nature of such operators is typically tackled via a library of local reduction subspaces, which requires the assembly of numerous local ROMs to address parametric dependencies. Our work attempts to define a more generalisable mapping between parametric inputs and reduced bases for the purpose of generative modeling. We propose the use of Variational Autoencoders (VAEs) in place of the typically utilised clustering or interpolation operations, for inferring the fundamental vectors, termed as modes, which approximate the manifold of the model response for any and each parametric input state. The derived ROM still relies on projection bases, built on the basis of full-order model simulations, thus retaining the imprinted physical connotation. However, it additionally exploits a matrix of coefficients that relates each local sample response and dynamics to the global phenomena across the parametric input domain. The VAE scheme is utilised for approximating these coefficients for any input state. This coupling leads to a high-precision low-order representation, which is particularly suited for problems where model dependencies or excitation traits cause the dynamic behavior to span multiple response regimes. Moreover, the probabilistic treatment of the VAE representation allows for uncertainty quantification on the reduction bases, which may then be propagated to the ROM response. The performance of the proposed approach is validated on an open-source simulation benchmark featuring hysteresis and multi-parametric dependencies, and on a large-scale wind turbine tower characterised by nonlinear material behavior and model uncertainty.

Conditional VAEs↗
DOE OSTI2025

DriveSense: A Noise-Resilient Framework for Driving Mode Identification

Accurate drive mode classification is essential for enhancing the reliability and predictive maintenance of heavy-duty electric trucks. This study proposes a novel fuzzy logic-based framework, DriveSense, for real-time drive mode classification, addressing key challenges such as sensor noise, transitional behaviors, and computational efficiency. The proposed approach integrates a two-stage filtering pipeline, combining adaptive outlier removal and a dynamic Kalman filter to enhance data quality. A fuzzy inference system with smoothened trapezoidal membership functions is then applied to classify driving modes into standstill, constant speed, acceleration, and deceleration while mitigating the effects of noise and edge cases. Performance evaluation using real-world and simulated drive cycles demonstrates significant improvements in classification accuracy (up to 97.8%), F1-score (up to 0.97), and robustness against noise, while reducing false positives. Comparative analysis against baseline models, demonstrates DriveSense’s superior accuracy and generalizability across diverse driving patterns. The framework’s lightweight and interpretable fuzzy inference engine operates with low computational latency, ensuring compatibility with real-time embedded systems typical of heavy-duty electric trucks. Moreover, DriveSense models transitional behaviors through overlapping fuzzy sets and adaptive borderline classification logic, enabling smooth identification of subtle shifts such as rolling stops or gradual deceleration. These results highlight DriveSense’s potential to enhance predictive maintenance strategies, reduce downtime, and support scalable, fleet-wide diagnostics.

Kumar, Praveen [Oak Ridge National Laboratory (ORN↗
DOE OSTI2025

A Theoretical Operational Model for Complex Experiments and its Invariance Theorems

We develop and systematize the Theoretical–Operational Model (TOM), a framework that treats preparation and measurement —including their operational residues— as intrinsic structures of physical theory. The central contribution is a principled geometric–algebraic organization of admissible operational deformations, formulated using quantum channels, renormalization-style flows, and information-geometric tools. Within this structure, operational residues and background processes are represented as effective morphisms attached to these operational components, whose invariants yield constraints on how theoretical parameters vary under specified classes of deformations. Illustrations drawn from muon–electron conversion, long-baseline neutrino oscillations, and quark–gluon-plasma phenomenology show how TOM maps operational effects into inferences about theoretical parameters, enables systematic cross-experimental comparisons, and stabilizes parameter estimation against defined deformation families. By embedding the operational layer—together with its residues—within a structured theoretical setting, TOM supports both theory testing and theory development, clarifying the conceptual relation between experimental realization and the physical quantities represented by the theory.

Pronskikh, Vitaly [Fermilab] (ORCID:00000002518174↗
DOE OSTI2021

DeepM&Mnet: Inferring the electroconvection multiphysics fields based on operator approximation by neural networks

Electroconvection is a multiphysics problem involving coupling of the flow field with the electric field as well as the cation and anion concentration fields. Here, we use electroconvection as a benchmark problem to put forward a new data assimilation framework, the DeepM&Mnet, for simulating multiphysics and multiscale problems at speeds much faster than standard numerical methods using pre-trained neural networks. We first pre-train DeepONets that can predict independently each field, given general inputs from the rest of the fields of the coupled system. DeepONets can approximate nonlinear operators and are composed of two sub-networks, a branch net for the input fields and a trunk net for the locations of the output field. DeepONets, which are extremely fast, are used as building blocks in the DeepM&Mnet and form constraints for the multiphysics solution along with some sparse available measurements of any of the fields. We demonstrate the new methodology and document the accuracy of each individual DeepONet, and subsequently we present two different DeepM&Mnet architectures that infer accurately and efficiently 2D electroconvection fields for unseen electric potentials. Furthermore, the DeepM&Mnet framework is general and can be applied for building any complex multiphysics and multiscale models based on very few measurements using pre-trained DeepONets in a “plug-and-play” mode.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Source-Resolved Inversion of Elemental Carbon Emissions in California Using Log-Space Bayesian Inference

Elemental carbon (EC), operationally quantified by thermal-optical analysis, is widely used as a proxy for black carbon (BC) relevant to short-term climate forcing and public health. Current EC emission inventories remain highly uncertain, with persistent discrepancies between bottom-up and top-down estimates. In this study, we develop a source-resolved, log-space Bayesian inversion framework applied to estimate California’s statewide EC emissions in 2019. By integrating surface EC measurements from the EPA’s Air Quality System network with high-resolution source contributions simulated by a chemical transport model, we identify a one-third underestimation in the existing statewide EC inventory, requiring an increase of the total from a prior of 8.58 [5.49–13.75] Gg year–1 to a posterior estimate of 12.78 [10.71–15.37] Gg year–1. This discrepancy is primarily driven by substantial underestimations in the power and industrial and off-road mobile sectors. Furthermore, population-weighted exposure analysis reveals a marked sectoral divergence between emission mass and health burden: off-road mobile sources dominate both emissions and exposure, accounting for 31% of statewide exposure, while residential wood combustion contributes 26% of total exposure despite comprising only 19% of total emissions, due to its source proximity to population. These findings underscore the need to update sector-specific EC speciation profiles and demonstrate that mitigation strategies targeting off-road mobile sources and residential wood combustion are critical for reducing EC-related health impacts in California.

Zhang, Jie↗
DOE OSTI2024

Application of advanced causal analyses to identify processes governing secondary organic aerosols

Abstract Understanding how different physical and chemical atmospheric processes affect the formation of fine particles has been a persistent challenge. Inferring causal relations between the various measured features affecting the formation of secondary organic aerosol (SOA) particles is complicated since correlations between variables do not necessarily imply causality. Here, we apply a state-of-the-art information transfer measure coupled with the Koopman operator framework to infer causal relations between isoprene epoxydiol SOA (IEPOX-SOA) and different chemistry and meteorological variables derived from detailed regional model predictions over the Amazon rainforest. IEPOX-SOA represents one of the most complex SOA formation pathways and is formed by the interactions between natural biogenic isoprene emissions and anthropogenic emissions affecting sulfate, acidity and particle water. Since the regional model captures the known relations of IEPOX-SOA with different chemistry and meteorological features, their simulated time series implicitly include their causal relations. We show that our causal model successfully infers the known major causal relations between total particle phase 2-methyl tetrols (the dominant component of IEPOX-SOA over the Amazon) and input features. We provide the first proof of concept that the application of our causal model better identifies causal relations compared to correlation and random forest analyses performed over the same dataset. Our work has tremendous implications, as our methodology of causal discovery could be used to identify unknown processes and features affecting fine particles and atmospheric chemistry in the Earth’s atmosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

I Know I'm Right, But Does My Phone?

Transportation is the largest source of green-house gas emissions in the United States. Reducing transportation emissions depends on human travel behavior, which relies on local land use and planning. Travel diaries, consisting of sequences of trips between places for a particular individual, are typically used to instrument human travel behavior. However, these diaries are only as accurate as the underlying methods used to construct them. Travel diary algorithms have been a popular research topic since the advent of GPS tracking surveys. Mode inference algorithms in particular have been well represented in literature. However, these algorithms have typically been validated using prompted recall of pre-segmented trips, which doesn't account for segmentation error, thus disregarding the continuity of mode inference. Furthermore, phone operating systems and applications have adopted battery-conserving techniques, but we are not aware of prior work that has characterized the resulting data collection errors or evaluated procedures to mitigate them. We introduce a framework to evaluate accuracy of trip length computations and mode inference. We develop a temporal alignment procedure in analyzing continuous mode-segmented trajectories for groups of trips. We then apply our framework to evaluate an example set of travel diary algorithms from the open-source OpenPATH travel diary platform against MobilityNet, a public dataset containing information from three artificial timelines that cover 15 different travel modes. Our results show that inference based on an integration with map features results in weighted F_1 scores of 0.60 (iOS) and 0.74 (android). We also show that OpenPATH tends to under count trip length, with mean of signed relative error of -0.0438 on android and -0.0704 on iOS. We hope that other travel diary algorithms will be evaluated using this standardized process, and that the results used to understand and improve the state-of-the-art in this field.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2021

Classification and regression models of audio and vibration signals for machine state monitoring in precision machining systems

Here we present a data-driven method for monitoring machine status in manufacturing processes. Audio and vibration data from precision machining are used for inference in two operating scenarios: (a) variable machine health states (anomaly detection); and (b) settings of machine operation (state estimation). Audio and vibration signals are first processed through Fast Fourier Transform and Principal Component Analysis to extract transformed and informative features. These features are then used in the training of classification and regression models for machine state monitoring. Specifically, three classifiers (K-nearest neighbors, convolutional neural networks and support vector machines) and two regressors (support vector regression and neural network regression) were explored, in terms of their accuracy in machine state prediction. It is shown that the audio and vibration signals are sufficiently rich in information about the machine that 100% state classification accuracy could be accomplished. Data fusion was also explored, showing overall superior accuracy of data-driven regression models.

42 ENGINEERING↗
DOE OSTI2025

DESI DR2 results. II. Measurements of baryon acoustic oscillations and cosmological constraints

We present baryon acoustic oscillation (BAO) measurements from more than 14 million galaxies and quasars drawn from the Dark Energy Spectroscopic Instrument (DESI) Data Release 2 (DR2), based on three years of operation. For cosmology inference, these galaxy measurements are combined with DESI Lyman-𝛼 forest BAO results presented in a companion paper (M. Abdul-Karim et al., companion paper, Phys. Rev. D 112, 083514 2025.). The DR2 BAO results are consistent with DESI DR1 and the Sloan Digital Sky Survey, and their distance-redshift relationship matches those from recent compilations of supernovae (SNe) over the same redshift range. The results are well described by a flat Λ cold dark matter (Λ⁢CDM) model, but the parameters preferred by BAO are in mild, 2.3⁢𝜎 tension with those determined from the cosmic microwave background (CMB), although the DESI results are consistent with the acoustic angular scale 𝜃 * that is well measured by Planck. This tension is alleviated by dark energy with a time-evolving equation of state parametrized by 𝑤0 and 𝑤𝑎, which provides a better fit to the data, with a favored solution in the quadrant with 𝑤 0 >−1 and 𝑤 𝑎 <0. This solution is preferred over Λ ⁢CDM at 3.1⁢𝜎 for the combination of DESI BAO and CMB data. When also including SNe, the preference for a dynamical dark energy model over Λ⁢ CDM ranges from 2.8 − 4.2⁢𝜎 depending on which SNe sample is used. We present evidence from other data combinations which also favor the same behavior at high significance. From the combination of DESI and CMB we derive 95% upper limits on the sum of neutrino masses, finding ∑𝑚 𝜈 < 0.064 eV assuming Λ ⁢CDM and ∑𝑚 𝜈 < 0.16 eV in the 𝑤0⁢𝑤𝑎 model. Unless there is an unknown systematic error associated with one or more datasets, it is clear that Λ⁢ CDM is being challenged by the combination of DESI BAO with other measurements and that dynamical dark energy offers a possible solution.

Baryon acoustic oscillations↗
DOE OSTI2024

Electrifying Education: Insights into Charging Electric School Buses in the United States

To combat climate change, the United States joined 193 Parties in committing to the Paris Agreement, which aims to limit global warming to 2 degrees C or less, and decarbonizing transportation will be a key requirement for achieving this goal. School buses (SBs) are a common form of student transport in the U.S. with nearly all SBs today powered by fossil fuels (primarily diesel). As a result, SBs have historically been a concerning source of both greenhouse gas (GHG) emissions and local air pollutants with negative health impacts for students and others living nearby. Electric SBs (ESBs) are a promising emerging technology for decarbonizing student transport, however, ESB adoption in the U.S. remains at an early stage (approximate 1.1%) with many outstanding uncertainties. This study aims to elucidate several of these by taking inventory of the total SB stock within U.S. states and studying real-world SB operating profiles to infer potential battery range requirements, daily charging opportunities, and charging infrastructure requirements for ESBs. In addition, we observe the geographic trends of early-stage ESB adoption, which can be used to better understand early adopter patterns and train vehicle technology adoption models.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2024

An Insight-Centric Paradigm for Data Reduction and Inference Speed Improvement at the Scurry Area Canyon Reef Operator’s Committee (SACROC) Unit

The poster presents the work conducted under SMART focusing on using insight-centric approach to design a meaningful proxy for machine learning. Domain insights are critical not just in understanding the prediction results but also in designing the model. This study demonstrated that a single meaningful scaler (as an extreme case) can effectively replace full-size 3D geologic properties. The model's accuracies are on par with other models, and it is the fastest model to predict all test cases, 5,000 times faster than traditional simulations.

Shih, Chung Yan↗
DOE OSTI2026

Bayesian Exploration and Surrogate Emulation of Nonlinear Beam-Response Geometry in the LBNF Beamline

Next-generation long-baseline neutrino experiments aim to achieve multi-MW proton beam power while reducing accelerator-induced systematic uncertainties. At Fermilab, the LBNF beamline is designed for 1.2 MW operation with PIP-II and is upgradeable to 2.4 MW. DUNE will probe the three-flavor neutrino paradigm and search for CP violation, requiring precise neutrino-flux normalization and improved control of accelerator-related uncertainties. Within the LBNF beamline, the System for On-Axis Neutrino Detection (SAND) will constrain flux uncertainties using precision near-detector measurements, while the Muon Monitor System (MuMS) will provide beamline diagnostics sensitive to the proton beam, target, and horn configuration. However, the pion phase space relevant for DUNE depends simultaneously on many correlated parameters, including beam centroid, beam width, horn current and alignment, target position, optics shifts, and radiation-induced changes. Consequently, MuMS observables exhibit nonlinear and coupled responses that are difficult to characterize using traditional one-parameter scans. To address this challenge, we are developing a Bayesian Exploration framework coupled to physics-informed surrogate emulators trained on Geant4 beamline simulations. Gaussian-process emulators provide both fast predictions and uncertainty estimates, enabling adaptive selection of new simulation points in beam-parameter space. As an initial demonstration, we construct surrogate emulators for MuMS response observables using a verified simulation campaign spanning proton-beam steering conditions. The emulators reproduce the simulated dependence of MuMS centroid and gradient observables while providing predictive uncertainties, and serve as the foundation for future multidimensional exploration including beam width, horn current, and additional beamline parameters. This work establishes a framework for uncertainty-aware beam monitoring, adaptive simulation campaigns, and rapid beam-response inference for future DUNE operations.

Ganguly, Sudeshna [Fermilab] (ORCID:00000003163482↗
DOE OSTI2022

PyAlbany: A Python interface to the C++ multiphysics solver Albany

Albany is a parallel C++ finite element library for solving forward and inverse problems involving partial differential equations (PDEs). In this paper we introduce PyAlbany, a newly developed Python interface to the Albany library. PyAlbany can be used to effectively drive Albany enabling fast and easy analysis and post-processing of applications based on PDEs that are pre-implemented in Albany. PyAlbany relies on the library PyBind11 to bind Python with C++ Albany code. Here we detail the implementation of PyAlbany and showcase its capabilities through a number of examples targeting a heat-diffusion problem. In particular we consider the following: (1) the generation of samples for a Monte Carlo application, (2) a scalability study, (3) a study of parameters on the performance of a linear solver, and finally (4) a tool for performing eigenvalue decompositions of matrix-free operators for a Bayesian inference application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The field of human building interaction for convergent research and innovation for intelligent built environments

Human-Building Interaction (HBI) is a convergent field that represents the growing complexities of the dynamic interplay between human experience and intelligence within built environments. This paper provides core definitions, research dimensions, and an overall vision for the future of HBI as developed through consensus among 25 interdisciplinary experts in a series of facilitated workshops. Three primary areas contribute to and require attention in HBI research: humans (human experiences, performance, and well-being), buildings (building design and operations), and technologies (sensing, inference, and awareness). Three critical interdisciplinary research domains intersect these areas: control systems and decision making, trust and collaboration, and modeling and simulation. Finally, at the core, it is vital for HBI research to center on and support equity, privacy, and sustainability. Compelling research questions are posed for each primary area, research domain, and core principle. State-of-the-art methods used in HBI studies are discussed, and examples of original research are offered to illustrate opportunities for the advancement of HBI research.

42 ENGINEERING↗