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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Lake-Effect Snowstorm Events and Associated Snowfall Totals Integrated from NOAA Storm Reports, ERA5, and HRRR for the Laurentian Great Lakes (1997–2024)

Lake-effect snowstorms are localized, impactful winter weather phenomena that can generate substantial snowfall totals and pose significant challenges for forecasting, transportation, and regional infrastructure. To support the analysis and modeling of these events, this dataset compiles observational reports of lake-effect snowstorms alongside corresponding snowfall estimates derived from gridded atmospheric datasets. The observational component of the data originates from the National Weather Service (NWS) winter storm report, subset to lake-effect snow event type, covering 1997–2024. For each lake-effect snow event, this data provides the impacted county, event start and end datetimes at an hourly resolution, as well as relevant storm narratives. The complementary reanalysis-derived data is sourced from European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis 5 (ERA5) and High-Resolution Rapid Refresh (HRRR) gridded data. For both gridded datasets, the maximum total snowfall (in units mm) was extracted, constrained by the county and datetimes specified by the observational report. ERA5 data covers the entire observational period (1997–2024), whereas HRRR data is only available from November 2016 – December 2024. Three CSV files are provided here: (1) the observational lake-effect snow event report, (2) ERA5 maximum snowfall detections for each event, and (3) HRRR maximum snowfall detections for each event. Relevant data from the observational files, such as impacted state and county, event datetimes, and event IDs, were included for convenience. Users can inspect and visualize the data using tools such as Microsoft Excel and Python pandas/matplotlib packages. This dataset may support a variety of applications, including climatological analyses of lake-effect snowfall, evaluation of snowfall representation in atmospheric datasets and numerical weather prediction models, and the development of machine learning approaches for detecting or predicting lake-effect snowfall events.

EARTH SCIENCE > ATMOSPHERE > PRECIPITATION > SOLID↗
DOE OSTI2025

LandScan Mosaic

The LandScan program at Oak Ridge National Laboratory (ORNL), in collaboration with the National Geospatial-Intelligence Agency (NGA), continues to deliver the most accurate and up to date global, high resolution gridded population data. Additionally, the latest advancements in the LandScan HD methodology led to reduced latency in development of rapid updates for geopolitical events. With momentum towards reporting more up to date population estimates, feedback from the user community expressed interest in reporting population estimates in ranges - whether to express a level of uncertainty or confirm to leadership and stakeholders the modeled data are estimates. Building upon the need to understand uncertainty or confidence in the modeled data and report ranges at the global scale, LandScan Mosaic was developed. LandScan Mosaic represents the next generation of high-resolution population modeling, building upon the established success of previous LandScan HD iterations. While LandScan HD employed a deterministic big data fusion approach, LandScan Mosaic enhances this methodology by integrating advanced machine learning techniques to impute missing, yet crucial, population model parameters. This advancement allows for probabilistic modeling of building occupancy and population distribution, incorporating uncertainty quantification through Monte Carlo sampling methods. By combining big data fusion with machine learning-driven imputation and stochastic modeling, LandScan Mosaic provides a more comprehensive and robust representation of population dynamics. LandScan Mosaic will be following the in the footsteps of its longstanding counterpart LandScan Global and releasing a global gridded population raster, at the 3-arcsecond resolution. This technical report documents the current stage of development of LandScan Mosaic, detailing the methodologies and data sources behind the modeling. Stakeholders are encouraged to use this document as an authoritative reference for insight into Mosaic’s data development processes. However, readers should note that LandScan Mosaic remains in a late-stage research and development phase, and methodologies and data presented here are subject to refinements ahead of the anticipated global release in Summer 2025. Feedback and inquiries from users and stakeholders are welcomed as we continue to refine and enhance this important population resource.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Simulation-based inference for parameter estimation of complex watershed simulators

High-resolution, spatially distributed process-based (PB) simulators are widely employed in the study of complex catchment processes and their responses to a changing climate. However, calibrating these PB simulators using observed data remains a significant challenge due to several persistent issues, including the following: (1) intractability stemming from the computational demands and complex responses of simulators, which renders infeasible calculation of the conditional probability of parameters and data, and (2) uncertainty stemming from the choice of simplified representations of complex natural hydrologic processes. Here, we demonstrate how simulation-based inference (SBI) can help address both of these challenges with respect to parameter estimation. SBI uses a learned mapping between the parameter space and observed data to estimate parameters for the generation of calibrated simulations. To demonstrate the potential of SBI in hydrologic modeling, we conduct a set of synthetic experiments to infer two common physical parameters – Manning's coefficient and hydraulic conductivity – using a representation of a snowmelt-dominated catchment in Colorado, USA. We introduce novel deep-learning (DL) components to the SBI approach, including an “emulator” as a surrogate for the PB simulator to rapidly explore parameter responses. We also employ a density-based neural network to represent the joint probability of parameters and data without strong assumptions about its functional form. While addressing intractability, we also show that, if the simulator does not represent the system under study well enough, SBI can yield unreliable parameter estimates. Approaches to adopting the SBI framework for cases in which multiple simulator(s) may be adequate are introduced using a performance-weighting approach. The synthetic experiments presented here test the performance of SBI, using the relationship between the surrogate and PB simulators as a proxy for the real case.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Reusable Autonomy

Currently, spacecraft ground systems have a well defined and somewhat standard architecture and operations concept. Based on domain analysis studies of various control centers conducted over the years it is clear that ground systems have core capabilities and functionality that are common across all ground systems. This observation alone supports the realization of reuse. Additionally, spacecraft ground systems are increasing in their ability to do things autonomously. They are being engineered using advanced expert systems technology to provide automated support for operators. A clearer understanding of the possible roles of agent technology is advancing the prospects of greater autonomy for these systems. Many of their functional and management tasks are or could be supported by applied agent technology, the dynamics of the ground system's infrastructure could be monitored by agents, there are intelligent agent-based approaches to user-interfaces, etc. The premise of this paper is that the concepts associated with software reuse, applicable in consideration of classically-engineered ground systems, can be updated to address their application in highly agent-based realizations of future ground systems. As a somewhat simplified example consider the following situation, involving human agents in a ground system context. Let Group A of controllers be working on Mission X. They are responsible for the command, control and health and safety of the Mission X spacecraft. Let us suppose that mission X successfully completes it mission and is turned off. Group A could be dispersed or perhaps move to another Mission Y. In this case there would be reuse of the human agents from Mission X to Mission Y. The Group A agents perform their well-understood functions in a somewhat but related context. There will be a learning or familiarization process that the group A agents go through to make the new context, determined by the new Mission Y, understood. This simplified scenario highlights some of the major issues that need to be addressed when considering the situation where Group A is composed of software-based agents (not their human counterparts) and they migrate from one mission support system to another. This paper will address: - definition of an agent architecture appropriate to support reuse; - identification of non-mission-specific agent capabilities required; - appropriate knowledge representation schemes for mission-specific knowledge; - agent interface with mission-specific knowledge (a type of Learning); development of a fully-operational group of cooperative software agents for ground system support; architecture and operation of a repository of reusable agents that could be the source of intelligent components for realizing an autonomous (or nearly autonomous) agent-based ground system, and an agent-based approach to repository management and operation (an intelligent interface for human use of the repository in a ground-system development activity).

Truszkowski, Walt↗
DOE OSTI2025

Replace Human Intelligence with Fast and Smart Geometric Reasoning and Graph Neural Network to Accelerate Next Gen ModSim Workflows

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Closing the Loop between In Situ Stress Complexity and EGS Fracture Complexity

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

42 ENGINEERING↗
NASA NTRS1982

A computer simulation approach to measurement of human control strategy

Human control strategy is measured through use of a psychologically-based computer simulation which reflects a broader theory of control behavior. The simulation is called the human operator performance emulator, or HOPE. HOPE was designed to emulate control learning in a one-dimensional preview tracking task and to measure control strategy in that setting. When given a numerical representation of a track and information about current position in relation to that track, HOPE generates positions for a stick controlling the cursor to be moved along the track. In other words, HOPE generates control stick behavior corresponding to that which might be used by a person learning preview tracking.

Green, J.↗
DOE OSTI2025

Operator learning for energy-efficient building ventilation control with computational fluid dynamics simulation of a real-world classroom

Energy-efficient ventilation control plays an important role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations provide detailed and physically accurate representations of indoor airflow, their high computational cost limits their use in real-time building control. In this work, we present a neural operator learning framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable building ventilation control with the high-fidelity fluid dynamics models. Our method jointly optimizes the airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train an ensemble of neural operator transformer models to learn the mapping from building control actions to airflow fields using high-resolution CFD data. This learned neural operator is then embedded in an optimization-based control framework for building ventilation control. Experimental results show that our approach achieves significant energy savings compared to maximum airflow rate control, rule-based control, as well as data-driven control methods using spatially averaged CO 2 prediction and deep learning–based reduced-order models, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method in maintaining energy efficiency and indoor air quality in real-world buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Active causal learning for decoding chemical complexities with targeted interventions

Abstract Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have become standard for predictions, but they face challenges when applied across different datasets due to reliance on correlations between molecular representation and target properties. These approaches typically depend on large datasets to capture the diversity within the chemical space, facilitating a more accurate approximation, interpolation, or extrapolation of the chemical behavior of molecules. In our research, we introduce an active learning approach that discerns underlying cause-effect relationships through strategic sampling with the use of a graph loss function. This method identifies the smallest subset of the dataset capable of encoding the most information representative of a much larger chemical space. The identified causal relations are then leveraged to conduct systematic interventions, optimizing the design task within a chemical space that the models have not encountered previously. While our implementation focused on the QM9 quantum-chemical dataset for a specific design task—finding molecules with a large dipole moment—our active causal learning approach, driven by intelligent sampling and interventions, holds potential for broader applications in molecular, materials design and discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Improving the Quasi‐Biennial Oscillation via a Surrogate‐Accelerated Multi‐Objective Optimization

Accurate simulation of the quasi-biennial oscillation (QBO) is challenging due to uncertainties in representing convectively generated gravity waves. We develop an end-to-end uncertainty quantification workflow that calibrates these gravity wave processes in E3SM for a realistic QBO. Central to our approach is a domain knowledge-informed, compressed representation of high-dimensional spatio-temporal wind fields. By employing a parsimonious statistical model that learns the fundamental frequency from complex observations, we extract interpretable and physically meaningful quantities capturing key attributes. Building on this, we train a probabilistic surrogate model that approximates the fundamental characteristics of the QBO as functions of critical physics parameters governing gravity wave generation. Leveraging the Karhunen–Loève decomposition, our surrogate efficiently represents these characteristics as a set of orthogonal features, capturing cross-correlations among multiple physics quantities evaluated at different pressure levels and enabling rapid surrogate-based inference at a fraction of the computational cost of full-scale simulations. Finally, we analyze the inverse problem using a multi-objective approach. Our study reveals a tension between amplitude and period that constrains the QBO representation, precluding a single optimal solution. To navigate this, we quantify the bi-criteria trade-off and generate a set of Pareto optimal parameter values that balance the conflicting objectives. This integrated workflow improves the fidelity of QBO simulations and offers a versatile template for uncertainty quantification in complex geophysical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Deep-learning atomistic semi-empirical pseudopotential model for nanomaterials

The semi-empirical pseudopotential method (SEPM) has been widely applied to provide computational insights into the electronic structure, photophysics, and charge carrier dynamics of nanoscale materials. We present “DeepPseudopot”, a machine-learned atomistic pseudopotential model that extends the SEPM framework by combining a flexible neural network representation of the local pseudopotential with parameterized non-local and spin-orbit coupling terms. Trained on bulk quasiparticle band structures and deformation potentials from GW calculations, the model captures many-body and relativistic effects with very high accuracy across diverse semiconducting materials, as illustrated for silicon and group III-V semiconductors. DeepPseudopot’s accuracy, efficiency, and transferability make it well-suited for data-driven in silico design and discovery of novel optoelectronic nanomaterials.

Lin, Kailai [University of California, Berkeley, C↗
DOE OSTI2026

F-Hash: Feature-Based Hash Design for Time-Varying Volume Visualization via Multi-Resolution Tesseract Encoding

Interactive time-varying volume visualization is challenging due to its complex spatiotemporal features and sheer size of the dataset. Recent works transform the original discrete time-varying volumetric data into continuous Implicit Neural Representations (INR) to address the issues of compression, rendering, and super-resolution in both spatial and temporal domains. However, training the INR takes a long time to converge, especially when handling large-scale time-varying volumetric datasets. In this work, we proposed F-Hash, a novel feature-based multi-resolution Tesseract encoding architecture to greatly enhance the convergence speed compared with existing input encoding methods for modeling time-varying volumetric data. The proposed design incorporates multi-level collision-free hash functions that map dynamic 4D multi-resolution embedding grids without bucket waste, achieving high encoding capacity with compact encoding parameters. Our encoding method is agnostic to time-varying feature detection methods, making it a unified encoding solution for feature tracking and evolution visualization. Experiments show the F-Hash achieves state-of-the-art convergence speed in training various time-varying volumetric datasets for diverse features. We also proposed an adaptive ray marching algorithm to optimize the sample streaming for faster rendering of the time-varying neural representation.

deep learning↗
DOE OSTI2025

Fully Homomorphic Encryption

This code implements a Fully Homomorphic Encryption (FHE) system, enabling secure computation on encrypted data without requiring decryption. It supports encryption, decryption, and homomorphic operations like matrix multiplication and addition. This code is adaptable for integrating FHE into linear-time invariant (LTI) systems, including digital control and filtering. With proper configuration from subject matter expertise, encrypted system parameters and signals can be manipulated to perform tasks like state updates, output calculations, and convolution in the encrypted domain. By preserving the structure of LTI systems while ensuring privacy, the framework facilitates secure applications in areas such as autonomous systems, signal processing, and industrial automation. The code initializes the encryption system using parameters provided in the env dictionary. These parameters include the ciphertext modulus, key dimension, plaintext fixed-point scaling factor, and noise bound. During initialization, a secret key is generated, which is essential for encrypting and decrypting data securely. The modular design allows users to tailor these parameters to specific use cases or security requirements. The code implements multiple cryptographic schemes. The learning with errors (LWE) encryption method encodes cleartext message to their plaintext fixed-point representation then encrypted into ciphertext space with additive noise. This noise ensures the security of the scheme, relying on the computational hardness of the LWE problem. The code also includes the Gentry-Sahai-Waters (GSW) scheme based off the LWE problem. Homomorphic matrix multiplication is performed between the LWE and GSW to encrypted data. This is achieved using a decomposition function on the LWE ciphertext during the multiplication operation. For higher-dimensional data, the code includes a method to encrypt entire matrices (GSWMat) using GSW encryption. These encrypted matrices can then be used for homomorphic matrix multiplications (MatMult). The decryption function uses the secret key to recover the original plaintext, removing the added noise and scaling that was originally applied during encryption.

Lois, Roberts [Idaho National Laboratory (INL), Id↗
NASA NTRS1987

Application of Artificial Intelligence technology to the analysis and synthesis of reliable software systems

The development of a methodology for the production of highly reliable software is one of the greatest challenges facing the computer industry. Meeting this challenge will undoubtably involve the integration of many technologies. This paper describes the use of Artificial Intelligence technologies in the automated analysis of the formal algebraic specifications of abstract data types. These technologies include symbolic execution of specifications using techniques of automated deduction and machine learning through the use of examples. On-going research into the role of knowledge representation and problem solving in the process of developing software is also discussed.

Wild, Christian↗
NASA NTRS1991

Total recall in distributive associative memories

Iterative error correction of asymptotically large associative memories is equivalent to a one-step learning rule. This rule is the inverse of the activation function of the memory. Spectral representations of nonlinear activation functions are used to obtain the inverse in closed form for Sparse Distributed Memory, Selected-Coordinate Design, and Radial Basis Functions.

Danforth, Douglas G.↗
NASA NTRS1992

A new neural net approach to robot 3D perception and visuo-motor coordination

A novel neural network approach to robot hand-eye coordination is presented. The approach provides a true sense of visual error servoing, redundant arm configuration control for collision avoidance, and invariant visuo-motor learning under gazing control. A 3-D perception network is introduced to represent the robot internal 3-D metric space in which visual error servoing and arm configuration control are performed. The arm kinematic network performs the bidirectional association between 3-D space arm configurations and joint angles, and enforces the legitimate arm configurations. The arm kinematic net is structured by a radial-based competitive and cooperative network with hierarchical self-organizing learning. The main goal of the present work is to demonstrate that the neural net representation of the robot 3-D perception net serves as an important intermediate functional block connecting robot eyes and arms.

Lee, Sukhan↗
DOE OSTI2024

Evaluating the Use of Foundational Chemical Language Models in Multimodal Graph Fusion

Rapid and accurate prediction of the physicochemical properties of molecules given their structures remains a key challenge in cheminformatics. Machine learning approaches offer high-throughput options, but the optimality of inductive biases and data representations are up for debate. For example, BERT-based masked language models (MLMs) can be trained in a self-supervised way on hundreds of millions to billions of readily available SMILES strings. Another option is graph neural networks (GNNs), which can operate directly on molecular structures. Yet, generating accurate molecular geometry is computationally expensive, leading to a relative scarcity in data compared to SMILES strings. It is attractive to combine these two paradigms by pre-training an LM on a large corpus of SMILES strings and embedding these representation into a geometric graph neural network. Despite the promise of such an approach, and contrary to previous studies, we find mixed results with the combination of the LMs and GNNs on several molecule datasets. In particular, we found evidence for improvement on the FreeSolv and QM7 benchmarks, but degraded performance on the ESOL, LIPO and QM9 datasets compared to a GNN baseline.

Francel, Collin [University of Alabama]↗
DOE OSTI2026

LAF-Net: A Deep Residual and Cross-Attention Framework for Day-Ahead Load Forecasting: Preprint

Accurate day-ahead load forecasting is essential for reliable power system operations and market efficiency. System operators such as the Midcontinent Independent System Operator (MISO) rely on forecasts from multiple vendors, yet combining them effectively remains a persistent challenge due to vendor-specific biases. This paper presents a novel LSTM-Attention Fusion Network with Error Representation (LAF-Net) that enhances day-ahead hourly load forecasting through deep residual learning and multi-modal cross-attention. The proposed model builds a historical error memory from past vendor performance and dynamically queries it with future hour context to generate adaptive, hour-specific trust weights for each vendor. A bounded residual correction further refines forecasts by mitigating systematic and temporally localized errors. Tested on real MISO LBA data with multi-vendor forecasts, LAF-Net consistently outperforms the best vendor baseline across all 38 LBAs, achieving more than a 40% reduction in system-level mean absolute error (MAE) during peak load hours relative to the best vendor baseline.

24 POWER TRANSMISSION AND DISTRIBUTION↗