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At least 379 records · Page 21

Natural Language Processing for Text Based Event Extraction: Identifying Events of Interest Related to Worldwide State-Sponsored Civil Nuclear Power

Beginning in FY20, SRNL was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development to develop a prototype natural language processing/natural language understating machine learning-based modeling and analysis pipeline to extract and forecast events of interest from massive open data sources. The working hypothesis within the approach is that contextual shifts in key words and phrases act as indicators of events of interest over time. Therefore, by identifying points in time where contextual shifts occur, events of interest can be extracted along with explicit and implicit connections of entities and activities. The development of the preliminary prototype pipeline proved successful, meriting further testing of the pipeline on more broad topical domains and in a worldwide data environment. Therefore, SRNL, in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics at Virginia Tech, have continued development with a test case of identifying events of interest related to worldwide state-sponsored civil nuclear power in open data sources. In the first year of this follow-on effort, the team has curated domain-specific data corpuses using an automated scheme and applied the modeling and analysis pipeline. This robust, focused, and efficient approach consists of an ensemble of analyses applied to time dependent word embedding models that are trained on the data corpuses. In this report, the team has demonstrated the capability of the existing pipeline (as development has continued in parallel) by exploring several specific case-studies centered around Rosatom’s international activities regarding the planning, construction, operation, and/or shutdown of nuclear reactors. A basic timeline events has been generated by manually cataloging known “milestone” events that have occurred at reactors in Turkey, Finland, Hungary, and Egypt and compared with the output of the modeling pipeline. In this approach, the team has characterized the lead time using the prototype pipeline, as well as the ability to capture relevant information, which proved 100% successful. A deep dive example of the Akkuyu reactor (Turkey) is presented that shows the breadth of information that can be captured using the approach. In this case study, events were extracted pertaining to the planning/construction of Akkuyu including protests from the population, information campaigns in response to the protests, forged regulatory documents and lawsuits, budgetary/shareholder information, geopolitical tensions, and the various construction milestones. This has demonstrated the pipeline’s utility as a research aid or real-time event extraction tool, where summary-level information and detailed text extractions from millions of articles or Tweets across long time periods can be generated with significantly less effort than current techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Collocation methods for nonlinear differential equations on low-rank manifolds

We introduce new methods for integrating nonlinear differential equations on low-rank manifolds. These methods rely on interpolatory projections onto the tangent space, enabling low-rank time integration of vector fields that can be evaluated entry-wise. A key advantage of our approach is that it does not require the vector field to exhibit low-rank structure, thereby overcoming significant limitations of traditional dynamical low-rank methods based on orthogonal projection. To construct the interpolatory projectors, we develop a sparse tensor sampling algorithm based on the discrete empirical interpolation method (DEIM) that parameterizes tensor train manifolds and their tangent spaces with cross interpolation. Using these projectors, we propose two time integration schemes on low-rank tensor train manifolds. The first scheme integrates the solution at selected interpolation indices and constructs the solution with cross interpolation. The second scheme generalizes the well-known orthogonal projector-splitting integrator to interpolatory projectors. We demonstrate the proposed methods with applications to several tensor differential equations arising from the discretization of partial differential equations.

97 MATHEMATICS AND COMPUTING↗

Underground hydrogen storage leakage detection and characterization based on machine learning of sparse seismic data

Underground hydrogen storage (UHS) is considered as a scalable approach for massive storage and seasonal extraction of hydrogen (H 2 ). Although conventional leakage detection and characterization methods based on time-lapse seismic imaging and inversion generally apply to H 2 leakage detection problem, a high-fidelity yet cost effective geophysics approach is still missing to reliably inform leakage location and properties based on very sparse data. In response, we develop a novel supervised machine learning method to detect and characterize H 2 leakage from UHS. The input to our neural network are sparse time-lapse seismic waveforms, while the output from the neural network includes the spatial location and physical properties of a H 2 leakage. Here, we generate high-quality time-lapse waveforms using the elastic-wave equations to train the neural network. We train and validate our machine learning model and find that it attains high accuracy in using extremely sparse time-lapse seismic data to detect and characterize H 2 leakage. Our investigation is the first systematic study that focuses on applying machine learning to subsurface H 2 leakage detection and characterization and could potentially serve as a cost-effective geophysical tool for underground hydrogen leakage detection and characterization with high fidelity.

08 HYDROGEN↗

Convolutional Neural Networks Trained on Internal Variability Predict Forced Response of TOA Radiation by Learning the Pattern Effect

Abstract Predicting forced, long‐term radiative feedbacks from internal climate variability has been a decades‐long quest in climate science. We train a convolutional neural network (CNN) to predict annual‐ and global‐mean top of the atmosphere radiation anomalies from time‐varying maps of near‐surface temperature in climate models. Trained on internal variability alone, the nonlinear CNN can predict radiation under strong climate change, outperforms a regularized linear regression approach, and works within and across different climate models. We show with explainable artificial intelligence methods that the CNN draws predictive skill from physically meaningful regions but at much smaller spatial scales than currently assumed.

Rugenstein, Maria [Colorado State University Fort ↗

Neoclassical toroidal viscosity torque prediction via deep learning

GPECnet is a densely connected neural network that has been trained on GPEC data, to predict the plasma stability, neoclassical toroidal viscosity (NTV) torque, and optimized 3D coil current distributions for desired NTV torque profiles. Using NTV torque, driven by non-axisymmetric field perturbations in a tokamak, can be vital in optimizing pedestal performance by controlling the rotation profile in both the core, to ensure tearing stability, and the edge, to avoid edge localized modes (ELMs). The generalized perturbed equilibrium code (GPEC) software package can be used to calculate the plasma stability to 3D perturbations and the NTV torque profile generated by applied 3D magnetic fields. These calculations, however, involve complex integrations over space and energy distributions, which takes time to compute. Initially, GPECnet has been trained solely on data representative of the quiescent H-mode (QH) scenario, in which neutral beams are often balanced and toroidal rotation is low across the plasma profile. Lastly, this work provides the foundation for active control of the rotation shear using a combination of beams and 3D fields for robust and high performance QH mode operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scientific Discovery with Physics-Informed System Identification (Abbreviated Report)

My fellowship research focused on making physics-based simulations faster and more useful through machine learning. Many problems in science and engineering are governed by partial differential equations, but high-fidelity simulations are often too expensive to run repeatedly. I worked on improving Latent Space Dynamics Identification (LaSDI), a reduced-order modeling framework that compresses large simulation data sets into a smaller representation and then learns how that representation evolves over time. The motivation was to develop reduced models that remain accurate for more challenging systems, especially when predictions must remain reliable over long time intervals or when the underlying dynamics are more complicated than standard methods can easily handle. I also contributed to related work on Quandary, a high-performance software effort for simulation and control of open quantum systems, before focusing primarily on Latent Space Dynamics Identification methods. The main outcomes of the fellowship were two new algorithms (both of which were published), Rollout-LaSDI and Higher-Order LaSDI, together with supporting work on multi-stage Latent Space Dynamics Identification. Rollout-LaSDI improved long-term prediction by training the model to stay accurate over extended time horizons, and Higher-Order LaSDI broadened the method so it could model systems with higher-order time dynamics. My contributions to multistage Latent Space Dynamics Identification also helped show that its later training stages could be simplified without losing effectiveness, and that this behavior held across different model architectures and training strategies. Taken together, these advances improved the accuracy, flexibility, and practical value of reduced-order modeling tools for computational science.

97 MATHEMATICS AND COMPUTING↗

Digital Twin for Optimizing Real-time Economy of the Integrated Energy Systems

Economic and safe operation of integrated energy systems (IES) requires real-time optimization (RTO) of the control and actions conducted on each system component. In this regard, digital twins (DTs), which consist of a physical system, a virtual system, and the data communication that occurs between the two, are essential for effective RTO. Through the data warehouse, the virtual system is constantly updated with real-time data from the physical system, and functions as the model in the optimization framework. The reduced-order model of the dynamic process model in the virtual system is used in the optimization framework. The optimization results are then returned, via the data warehouse, as control actions to the physical system. This work demonstrates the software capabilities of DT assets for an IES in the context of preparing a DT for an experimental system comprised of Idaho National Laboratory (INL)’s Thermal Energy Delivery System and battery system. For the virtual demonstration, the DTs encompass (1) a physical system, including the Modelica models of the Thermal Energy Delivery System and the battery system; (2) virtual optimization via the Optimization of Real-Time Capacity Allocation (ORCA) platform; and (3) the open-source data warehouse software DeepLynx. This work assesses the performance of ORCA, which utilizes a reduced-order model built using the Risk Analysis Virtual Environment (RAVEN) and trained on the Modelica models and real-time data pipeline through the graph database hosted in DeepLynx. The proposed optimization workflow will be an RTO model based on DTs and the data they generate.

25 ENERGY STORAGE↗

Machine learning-enhanced model-based scenario optimization for DIII-D

Abstract Scenario development in tokamaks is an open area of investigation that can be approached in a variety of different ways. Experimental trial and error has been the traditional method, but this required a massive amount of experimental time and resources. As high fidelity predictive models have become available, offline development and testing of proposed scenarios has become an option to reduce the required experimental resources. The use of predictive models also offers the possibility of using a numerical optimization process to find the controllable inputs that most closely achieve the desired plasma state. However, this type of optimization can require as many as hundreds or thousands of predictive simulation cases to converge to a solution; many of the commonly used high fidelity models have high computational burdens, so it is only reasonable to run a handful of predictive simulations. In order to make use of numerical optimization approaches, a compromise needs to be found between model fidelity and computational burden. This compromise can be achieved using neural networks surrogates of high fidelity models that retain nearly the same level of accuracy as the models they are trained to replicate while reducing the computation time by orders of magnitude. In this work, a model-based numerical optimization tool for scenario development is described. The predictive model used by the optimizer includes neural network surrogate models integrated into the fast Control-Oriented Transport simulation framework. This optimization scheme is able to converge to the optimal values of the controllable inputs that produce the target plasma scenario by running thousands of predictive simulations in under an hour without sacrificing too much prediction accuracy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Visualization of shocked material instabilities using a fast-framing camera and XFEL four-pulse train

Many questions regarding dynamic materials could be answered by using time-resolved ultra-fast imaging techniques to characterize the physical and chemical behavior of materials in extreme conditions and their evolution on the nanosecond scale. In this work, we perform multi-frame phase-contrast imaging (PCI) of micro-voids in low density polymers under laser-driven shock compression. At the Matter in Extreme Conditions (MEC) Instrument at the Linac Coherent Light Source (LCLS), we used a train of four x-ray free electron laser (XFEL) pulses to probe the evolution of the samples. To visualize the void and shock wave interaction, here, we deployed the Icarus V2 detector to record up to four XFEL pulses, separated by 1-3 nanoseconds. In this work, we image elastic waves interacting with the micro-voids at a pressure of several GPa. Monitoring how the material’s heterogeneities, like micro-voids, dictate its response to a compressive wave is important for benchmarking the performances of inertial confinement fusion energy materials. For the first time in a single sample, we have combined an ultrafast x-ray framing camera and four XFEL pulse train to create an ultrafast movie of micro-void evolution under laser-driven shock compression. Eventually, we hope this technique will resolve the material density as it evolves dynamically under laser shock compression.

fusion↗

Inverse Design of Photonic Surfaces via High throughput Femtosecond Laser Processing and Tandem Neural Networks

Abstract This work demonstrates a method to design photonic surfaces by combining femtosecond laser processing with the inverse design capabilities of tandem neural networks that directly link laser fabrication parameters to their resulting textured substrate optical properties. High throughput fabrication and characterization platforms are developed that generate a dataset comprising 35280 unique microtextured surfaces on stainless steel with corresponding measured spectral emissivities. The trained model utilizes the nonlinear one‐to‐many mapping between spectral emissivity and laser parameters. Consequently, it generates predominantly novel designs, which reproduce the full range of spectral emissivities (average root‐mean‐squared‐error < 2.5%) using only a compact region of laser parameter space 25 times smaller than what is represented in the training data. Finally, the inverse design model is experimentally validated on a thermophotovoltaic emitter design application. By synergizing laser‐matter interactions with neural network capabilities, the approach offers insights into accelerating the discovery of photonic surfaces, advancing energy harvesting technologies.

36 MATERIALS SCIENCE↗

Machine-Learning Architecture for Ultrasonic Thermometry

Temperature distribution in solids can be inverted from the speed of sound (SOS) measurements, as has been shown feasible by timing the propagation of the excitation pulse and the train of echoes in ultrasonically segmented waveguides (WGs) and metal components. However, complicated geometries and closely-space echogenic features (EFs) create complex waveforms, from which the segmental time of flights (TOFs) are impossible to estimate using traditional methods. This work describes a machine learning architecture shown to extract temperature information from complex ultrasonic waveforms without explicit measurements of segmental TOFs. We accomplish this by using an autoencoder neural network (NN) to map ultrasonic waveforms into a low-dimensional latent space. A second NN then maps the latent space into unknown temperature distribution along the WG. The proposed architecture was tested in simulations and experimentally. The autoencoder accurately reconstructs the waveforms from their latent representation, several orders of magnitude lower in dimensionality. The obtained latent space was successfully mapped into the temperature of the propagation path.

John, Mason↗

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗

Real-time deep-learning inversion of seismic full waveform data for CO 2 saturation and uncertainty in geological carbon storage monitoring

Deep-learning inversion has recently drawn attention in geological carbon storage research due to its potential of imaging and monitoring carbon storage in real time, significantly improving efficiency and safety of carbon storage operations. We present a deep-learning full waveform inversion method that after the neural network has been trained can image CO 2 saturation and its uncertainty in real time. Our deep-learning inversion method is based on the U-Net architecture with the neural network trained on pairs of synthetic seismic data and CO 2 saturation models. Accordingly, our training establishes a mapping relationship between seismic data and CO 2 saturation models and once fully trained directly estimates CO 2 saturation as a function of subsurface location. We further quantify uncertainties of CO 2 saturation estimates using the Monte Carlo dropout method and a bootstrap aggregating method. For this proof-of-concept study, the CO 2 training models and data are derived from the Kimberlina 1.2 model, a hypothetical 3D geological carbon storage model that is constructed based on various geological and hydrological data from the Southern San Joaquin Basin, California. We perform deep-learning inversion experiments using noise-free and noisy training and test data sets and compare the results. Our modelling experiments show that (1) the deep-learning inversion can estimate 2D distributions of CO 2 fairly well even in the presence of Gaussian random noise and (2) both CO 2 saturation imaging and uncertainty quantification can be done in real time. Our results suggest that the deep-learning inversion method can serve as a robust real-time monitoring tool for geological carbon storage and/or other time-varying reservoir/aquifer properties that result from injection, extraction, and/or other subsurface transport phenomena.

58 GEOSCIENCES↗

Long-time integration of parametric evolution equations with physics-informed DeepONets

Ordinary and partial differential equations (ODEs/PDEs) play a paramount role in analyzing and simulating complex dynamic processes across all corners of science and engineering. In recent years machine learning tools are aspiring to introduce new effective ways of simulating such equations, however existing approaches are not able to reliably return stable and accurate predictions across long temporal horizons. We aim to address this challenge by introducing an effective framework for learning evolution operators that map random initial conditions to associated ODE/PDE solutions within a short time interval. Such operators can be parametrized by deep neural networks that are trained in an entirely self-supervised manner without requiring one to generate any paired input-output observations. Global long-time predictions across a range of initial conditions can be then obtained by iteratively evaluating the trained model using each prediction as the initial condition for the next evaluation step. Here, this introduces a new approach to temporal domain decomposition that is shown to be effective in performing accurate long-time simulations for a wide range of parametric ODE and PDE systems, from wave propagation, to reaction-diffusion dynamics and stiff chemical kinetics, introducing a new way of rapidly emulating non-equilibrium processes in science and engineering.

97 MATHEMATICS AND COMPUTING↗

Iterative self-organizing SCEne-LEvel sampling (ISOSCELES) for large-scale building extraction

Convolutional neural networks (CNN) provide state-of-the-art performance in many computer vision tasks, including those related to remote-sensing image analysis. Successfully training a CNN to generalize well to unseen data, however, requires training on samples that represent the full distribution of variation of both the target classes and their surrounding contexts. With remote sensing data, acquiring a sufficiently representative training set is a challenge due to both the inherent multi-modal variability of satellite or aerial imagery and the general high cost of labeling data. To address this challenge, we have developed ISOSCELES, an Iterative Self-Organizing SCEne LEvel Sampling method for hierarchical sampling of large image sets. Using affinity propagation, ISOSCELES automates the selection of highly representative training images. Compared to random sampling or using available reference data, the distribution of the training is principally data driven, reducing the chance of oversampling uninformative areas or undersampling informative ones. In comparison to manual sample selection by an analyst, ISOSCELES exploits descriptive features, spectral and/or textural, and eliminates human bias in sample selection. Using a hierarchical sampling approach, ISOSCELES can obtain a training set that reflects both between-scene variability, such as in viewing angle and time of day, and within-scene variability at the level of individual training samples. We verify the method by demonstrating its superiority to stratified random sampling in the challenging task of adapting a pre-trained model to a new image and spatial domain for country-scale building extraction. Using a pair of hand-labeled training sets comprising 1,987 sample image chips, a total of 496,000,000 individually labeled pixels, we show, across three distinct model architectures, an increase in accuracy, as measured by F1-score, of 2.2–4.2%.

42 ENGINEERING↗

Developing multi-gene CRISPRa/i programs to accelerate DBTL cycles in ABF hosts engineered for chemical production

This project developed and implemented a modular CRISPR activation and interference (CRISPRa/i) platform to accelerate strain optimization and pathway development for industrially relevant microbial hosts. By integrating multiplexed transcriptional perturbation tools with data-driven Design–Build–Test–Learn (DBTL) workflows, the team achieved reductions in cycle time and enhanced production of industrial aromatics, particularly 4-aminocinnamic acid (4-ACA), in Pseudomonas putida. Key accomplishments included: ● Development of a robust, tunable CRISPRa/i system in P. putida that enabled efficient multi-target gene regulation via guide RNA (gRNA) programs ● Completion of two full DBTL cycles, guided by machine learning (ML) models trained on transcriptomic and performance data, reducing engineering time by over 30% ● Optimization of multi-gene regulatory programs to balance expression of host and pathway modules, improve 4-ACA titers, and resolve metabolic bottlenecks ● Demonstration of system portability through a limited proof-of-concept extension in Acinetobacter baylyi, underscoring the generalizability of the approach ● Evaluation of strain performance on lignocellulosic biomass-derived substrates, demonstrating the feasibility of converting renewable carbon into aromatic building blocks These results illustrate the feasibility of applying ML-guided CRISPRa/i perturbation strategies to accelerate strain development in complex microbial systems. The resulting tools and datasets contribute to DOE objectives by improving platform predictability, reducing development costs, and enabling broader access to sustainable, economically viable bioproduction technologies.

09 BIOMASS FUELS↗

A scalable transformer model for real-time decision making in neutron scattering experiments

The U.S. Department of Energy's (DOE's) neutron research facilities at Oak Ridge National Laboratory (ORNL), including the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS), are a state-of-the-art neutron scattering facility that allows researchers to study the structure and dynamics of materials at the atomic scale. At the SNS, neutrons are measured using the time-of-flight (TOF) technique as they move through a neutron beamline to interact with a sample. Large volumes of neutron scattering data are collected and recorded in neutron event mode. Optimal productivity of the TOF instrument is limited due to the lack of real-time data analysis tools. The large amount of data generated by the experiments can be challenging to process and analyze in real time, particularly for experiments that require rapid feedback and adjustment of experimental parameters. The regular computer/workstation cannot keep up with the experiment speed to provide real-time feedback to adjust experimental parameters, so connecting the supercomputers available to the neutron facility is necessary to achieve real-time data analysis and experiment steering. To address this challenge, we exploit the Frontier supercomputer at Oak Ridge Leadership Computing Facility (OLCF) to train a scalable temporal fusion transformer model for real-time decision making of TOF neutron scattering experimentation. Here, in this paper, we present the results using Frontier to provide the processing power needed to rapidly process and analyze large volumes of single-crystal diffraction data collected at TOPAZ, a neutron time-of-flight Laue single-crystal diffractometer at the SNS.

97 MATHEMATICS AND COMPUTING↗

Time Delay of Wide Area Damping Control in Urban Power Grid: Model-Based Analysis and Data-Driven Compensation

Due to the rapid development of economies, large urban cities consume an increasing amount of energy and have a higher requirement for power quality. Voltage source converter based high voltage direct current (VSC-HVDC) is a promising device to transmit clean power from remote regions to urban power systems, while also providing wide area damping control (WADC) for frequency stabilization. However, the time-delay naturally existing in the VSC-HVDC system may degrade the performance of WADC and even result in instability. To address this issue, this paper develops a time-delay correction control strategy for VSC-HVDC damping control in urban power grids. First, a small signal model of WADC is built to analyze the negative impacts of time delay. Then, a data-driven approach is proposed to compensate for the inherent time delay in VSC-HVDC damping control. The extensive training data will be generated under various disturbances. After offline training, the long short-term memory network (LSTM) can be implemented online to predict the actual frequency deviation based on real-time measurements. Finally, the proposed method is validated through MATLAB-Simulink in a two-area four-machine system. The results indicate that the data-driven compensation has a strong generalization ability for random delay time constants and can improve the performance of WADC significantly.

24 POWER TRANSMISSION AND DISTRIBUTION↗