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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Scalable Real-Time Data Assimilation Framework for Predicting Turbulent Atmosphere Dynamics

AI-based foundation models like FourCastNet, GraphCast are revolutionizing weather and climate predictions but are not yet ready for operational use. Their limitation lies in the absence of a data assimilation system to incorporate real-time Earth system observations, crucial for accurately forecasting events like tropical cyclones. To overcome these obstacles, we introduce a generic real-time data assimilation framework and demonstrate its end-to-end performance on the Frontier supercomputer. This framework comprises two primary modules: an ensemble score filter (EnSF), which significantly outperforms the state-of-the-art data assimilation method, and a vision transformer-based surrogate capable of real-time adaptation through the integration of observational data. We demonstrate both the strong and weak scaling of our framework up to 1024 GPUs on the Exascale supercomputer, Frontier. Our results not only illustrate the framework's exceptional scalability on high-performance computing systems, but also demonstrate the importance of supercomputers in real-time data assimilation for weather and climate predictions.

Lu, Dan↗
DOE OSTI2023

Accelerating self-consistent field iterations in Kohn-Sham density functional theory using a low-rank approximation of the dielectric matrix

We present an efficient preconditioning technique for accelerating the fixed-point iteration in real-space Kohn-Sham density functional theory (DFT) calculations. The preconditioner uses a low-rank approximation of the dielectric matrix (LRDM) based on Gâteaux derivatives of the residual of fixed-point iteration along appropriately chosen direction functions. We develop a computationally efficient method to evaluate these Gâteaux derivatives in conjunction with the Chebyshev filtered subspace iteration procedure, an approach widely used in large-scale Kohn-Sham DFT calculations. Further, we propose a variant of LRDM preconditioner based on adaptive accumulation of low-rank approximations from previous self-consistent field iterations, and also extend the LRDM preconditioner to spin-polarized Kohn-Sham DFT calculations. We demonstrate the robustness and efficiency of the LRDM preconditioner against other widely used preconditioners on a range of benchmark systems with sizes ranging from ~100 to 1100 atoms (~500–20,000 electrons). The benchmark systems include various combinations of metal-insulating-semiconducting heterogeneous material systems, nanoparticles with localized d orbitals near the Fermi energy, nanofilm with metal dopants, and magnetic systems. In all benchmark systems, the LRDM preconditioner converges robustly within 20–30 iterations. In contrast, other widely used preconditioners show slow convergence in many cases, as well as divergence of the fixed-point iteration in some cases. Lastly, we demonstrate the computational efficiency afforded by the LRDM method, with up to 3.4-fold reduction in computational cost for the total ground-state calculation compared to other preconditioners.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

Tracking Object Existence From an Autonomous Patrol Vehicle

An autonomous vehicle patrols a large region, during which an algorithm receives measurements of detected potential objects within its sensor range. The goal of the algorithm is to track all objects in the region over time. This problem differs from traditional multi-target tracking scenarios because the region of interest is much larger than the sensor range and relies on the movement of the sensor through this region for coverage. The goal is to know whether anything has changed between visits to the same location. In particular, two kinds of alert conditions must be detected: (1) a previously detected object has disappeared and (2) a new object has appeared in a location already checked. For the time an object is within sensor range, the object can be assumed to remain stationary, changing position only between visits. The problem is difficult because the upstream object detection processing is likely to make many errors, resulting in heavy clutter (false positives) and missed detections (false negatives), and because only noisy, bearings-only measurements are available. This work has three main goals: (1) Associate incoming measurements with known objects or mark them as new objects or false positives, as appropriate. For this, a multiple hypothesis tracker was adapted to this scenario. (2) Localize the objects using multiple bearings-only measurements to provide estimates of global position (e.g., latitude and longitude). A nonlinear Kalman filter extension provides these 2D position estimates using the 1D measurements. (3) Calculate the probability that a suspected object truly exists (in the estimated position), and determine whether alert conditions have been triggered (for new objects or disappeared objects). The concept of a probability of existence was created, and a new Bayesian method for updating this probability at each time step was developed. A probabilistic multiple hypothesis approach is chosen because of its superiority in handling the uncertainty arising from errors in sensors and upstream processes. However, traditional target tracking methods typically assume a stationary detection volume of interest, whereas in this case, one must make adjustments for being able to see only a small portion of the region of interest and understand when an alert situation has occurred. To track object existence inside and outside the vehicle's sensor range, a probability of existence was defined for each hypothesized object, and this value was updated at every time step in a Bayesian manner based on expected characteristics of the sensor and object and whether that object has been detected in the most recent time step. Then, this value feeds into a sequential probability ratio test (SPRT) to determine the status of the object (suspected, confirmed, or deleted). Alerts are sent upon selected status transitions. Additionally, in order to track objects that move in and out of sensor range and update the probability of existence appropriately a variable probability detection has been defined and the hypothesis probability equations have been re-derived to accommodate this change. Unsupervised object tracking is a pervasive issue in automated perception systems. This work could apply to any mobile platform (ground vehicle, sea vessel, air vehicle, or orbiter) that intermittently revisits regions of interest and needs to determine whether anything interesting has changed.

Wolf, Michael↗
DOE OSTI2022

A graph signal processing‐based multiple model Kalman filter ( GSP‐MMKF ) tool for predictive analytics: An air separation unit process application

Abstract The industrial Air Separations Unit (ASU) is a complicated and tightly operated process. The use of dynamic process analytics is also a key element of safe and economic operation of these processes, with increasing focus on predictive analytics to take preemptive actions. With the availability of real‐time data from hundreds of sensors, the data analysis process should also consider the topology of the data, as seen in sensor networks. In this paper, a novel tool is presented that considers the complex connectivity patterns in the sensor network and uses local adaptive disturbance estimations to predict global network‐scale trends. The paper introduces the emerging field of Graph Signal Processing (GSP) and presents a rigorous derivation of the tool starting from the extraction of the sensor‐network (in a graph theoretical sense) from the data. This network, which is in the form of a matrix, is then used to derive a Kalman‐filter type of state‐space model driven by input disturbances. Multiple disturbance models (e.g., step, ramp, periodic) are included to allow the model to have different kinds of disturbance propagation. Each graph node (representing the sensors used) dynamically adapts to the most recent detected disturbance individually. These estimated disturbances are propagated to the global network using the graph. Modifications to ensure stability are also discussed. The fidelity of the tool is tested on certain downtime events and the paper concludes by discussing the advantages of the method and planned future improvements.

Ghosh, Sambit↗
NASA NTRS2013

Ensemble Data Assimilation Without Ensembles: Methodology and Application to Ocean Data Assimilation

Two methods to estimate background error covariances for data assimilation are introduced. While both share properties with the ensemble Kalman filter (EnKF), they differ from it in that they do not require the integration of multiple model trajectories. Instead, all the necessary covariance information is obtained from a single model integration. The first method is referred-to as SAFE (Space Adaptive Forecast error Estimation) because it estimates error covariances from the spatial distribution of model variables within a single state vector. It can thus be thought of as sampling an ensemble in space. The second method, named FAST (Flow Adaptive error Statistics from a Time series), constructs an ensemble sampled from a moving window along a model trajectory. The underlying assumption in these methods is that forecast errors in data assimilation are primarily phase errors in space and/or time.

Data Assimilation↗
NASA NTRS1991

Adaptive control of Space Station during nominal operations with CMGs

An adaptive control approach is investigated for the Space Station. The main components of the adaptive controller are the parameter identification scheme, the control gain calculation, and the control law. The control law is the Space Station baseline control law. The control gain calculation is based on linear quadratic regulator theory with eigenvalue placement in a vertical strip. The parameter identification scheme is a real-time recursive extended Kalman filter which estimates the inertias and also provides an estimate of the unmodeled disturbances due to the aerodynamic torques and to the nonlinear effects. An analysis of the inertia estimation problem suggests that it is possible to compute accurate estimates of the Space Station inertias during nominal CMG (control moment gyro) operations. The closed-loop adaptive control law is shown to be capable of stabilizing the Space Station after large inertia changes. Results are presented for the pitch axis.

Bishop, R. H.↗
NASA NTRS1983

Roundoff noise and scaling in the digital implementation of control compensators

Researchers in digital signal processing have examined at length the effects of finite wordlength in the design of digital filters. The issues that have been considered apply to any digital system. In particular, the design of digital control systems must consider these issues. The paper will use, adapt, and extend the ideas developed in digital signal processing to the issue of roundoff noise in digital linear-quadratic-Gaussian (LQG) compensators. The roundoff noise effects for a particular LQG example and several different implementation structures will be then examined.

Moroney, P.↗
DOE OSTI2022

QuCNN : A Quantum Convolutional Neural Network with Entanglement Based Backpropagation

Quantum Machine Learning continues to be a highly active area of interest within Quantum Computing. Many of these approaches have adapted classical approaches to the quantum settings, such as QuantumFlow, etc. We push forward this trend, and demonstrate an adaption of the Classical Convolutional Neural Networks to quantum systems - namely QuCNN. QuCNN is a parameterised multi-quantum-state based neural network layer computing similarities between each quantum filter state and each quantum data state. With QuCNN, back propagation can be achieved through a single-ancilla qubit quantum routine. QuCNN is validated by applying a convolutional layer with a data state and a filter state over a small subset of MNIST images, comparing the backpropagated gradients, and training a filter state against an ideal target state.

high performance computing, quantum computing↗
DOE OSTI2022

TULIP: An RNA-seq-based Primary Tumor Type Prediction Tool Using Convolutional Neural Networks

Background: With cancer as one of the leading causes of death worldwide, accurate primary tumor type prediction is critical in identifying genetic factors that can inhibit or slow tumor progression. There have been efforts to categorize primary tumor types with gene expression data using machine learning, and more recently with deep learning, in the last several years. Methods In this paper, we developed four 1-dimensional (1D) Convolutional Neural Network (CNN) models to classify RNA-seq count data as one of 17 highly represented primary tumor types or 32 primary tumor types regardless of imbalanced representation. Additionally, we adapted the models to take as input either all Ensembl genes (60,483) or protein coding genes only (19,758). Unlike previous work, we avoided selection bias by not filtering genes based on expression values. RNA-seq count data expressed as FPKM-UQ of 9,025 and 10,940 samples from The Cancer Genome Atlas (TCGA) were downloaded from the Genomic Data Commons (GDC) corresponding to 17 and 32 primary tumor types respectively for training and validating the models. Results: All 4 1D-CNN models had an overall accuracy of 94.7% to 97.6% on the test dataset. Further evaluation indicates that the models with protein coding genes only as features performed with better accuracy compared to the models with all Ensembl genes for both 17 and 32 primary tumor types. For all models, the accuracy by primary tumor type was above 80% for most primary tumor types. Conclusions: We packaged all 4 models as a Python-based deep learning classification tool called TULIP (TUmor CLassIfication Predictor) for performing quality control on primary tumor samples and characterizing cancer samples of unknown tumor type. Further optimization of the models is needed to improve the accuracy of certain primary tumor types.

Jones, Sara↗
NASA NTRS1990

Vector adaptive predictive coder for speech and audio

A real-time vector adaptive predictive coder which approximates each vector of K speech samples by using each of M fixed vectors in a first codebook to excite a time-varying synthesis filter and picking the vector that minimizes distortion. Predictive analysis for each frame determines parameters used for computing from vectors in the first codebook zero-state response vectors that are stored at the same address (index) in a second codebook. Encoding of input speech vectors s.sub.n is then carried out using the second codebook. When the vector that minimizes distortion is found, its index is transmitted to a decoder which has a codebook identical to the first codebook of the decoder. There the index is used to read out a vector that is used to synthesize an output speech vector s.sub.n. The parameters used in the encoder are quantized, for example by using a table, and the indices are transmitted to the decoder where they are decoded to specify transfer characteristics of filters used in producing the vector s.sub.n from the receiver codebook vector selected by the vector index transmitted.

Chen, Juin-Hwey↗
DOE OSTI2025

When do molecular polaritons behave like optical filters?

This review outlines several linear optical effects featured by molecular polaritons arising in the collective strong light–matter coupling regime. Under weak laser irradiation and when the single-molecule light–matter coupling can be neglected (often in the limit when the number of molecules per photon mode is large), we show that the excited-state molecular dynamics under collective strong coupling can be exactly replicated without the cavity using a shaped (or “filtered”) laser, whose field amplitude is enhanced by the cavity quality factor, shining on the bare molecules. As a consequence, the absorption within a cavity can be understood as the overlap between the polariton transmission and the bare molecular absorption, suggesting that polaritons act in part as optical filters. This framework demystifies and provides a straightforward explanation for a large class of experiments and theoretical models in molecular polaritonics, highlighting that the same effects can be achieved without the cavity with shaped laser pulses. With a few modifications, this simple conceptual picture can also be adapted to understand the incoherent nonlinear response of polaritonic systems. This review establishes a clear distinction between polaritonic phenomena that can be fully explained through classical linear optics and those that require a quantum electrodynamics approach. It also highlights the need to differentiate between effects that necessitate polaritons (i.e., hybrid light–matter states) and those that can occur in the weak coupling regime. Here, we further discuss that certain quantum optical effects like fluorescence can be partially described as optical filtering, whereas some others like cavity-induced Raman scattering go beyond this. Further exploration in these areas is needed to uncover novel polaritonic phenomena beyond optical filtering.

Schwennicke, Kai [University of California, San Di↗
NASA NTRS2022

Clean Air Shower Curtain for Protection of Contamination Sensitive Telescopes on the Ariane 5 Launcher

The launch of the James Webb Space Telescope (JWST) was successfully performed by Ariane 5 from French Guiana on December 25th 2021. The unique nature of the JWST mission led to various adaptations of the Ariane 5 launch system to fulfill stringent cleanliness and hygrometry requirements all along the launch preparation. JWST integration and test activities in the Final Assembly Building (BAF) had to be performed in ISO Class 7 equivalent conditions under Volatile Organic Compounds (VOC) protection and monitoring. For this purpose, a dedicated air supply system equipped with Airborne Molecular Contamination (AMC) filters was installed in the umbilical mast. The fairing itself was specially sealed to protect the inner environment, and to, guarantee ISO Class 7, the BAF Composite Hall (BAF-HC) facilities were upgraded with a removable “Air Shower Curtain” (AShC) containment enclosure between the mobile platforms around JWST. The preparation of these Ariane 5 launch system adaptations started several years before the launch campaign with close cooperation and coordination between Arianespace, ArianeGroup, the European Space Agency (ESA) and the National Aeronautics and Space Administration (NASA). This paper describes their specificities and addresses the challenges experienced to achieve the successful mission preparation.

Contamination Control, James Webb Space Telescope,↗
NASA NTRS2022

Clean Air Shower Curtain for Protection of Contamination Sensitive Telescopes on the Ariane 5 Launcher

The launch of the James Webb Space Telescope (JWST) was successfully performed by Ariane 5 from French Guiana on December 25th 2021. The unique nature of the JWST mission led to various adaptations of the Ariane 5 launch system to fulfill stringent cleanliness and hygrometry requirements all along the launch preparation. JWST integration and test activities in the Final Assembly Building (BAF) had to be performed in ISO Class 7 equivalent conditions under Volatile Organic Compounds (VOC) protection and monitoring. For this purpose, a dedicated air supply system equipped with Airborne Molecular Contamination (AMC) filters was installed in the umbilical mast. The fairing itself was specially sealed to protect the inner environment, and to, guarantee ISO Class 7, the BAF Composite Hall (BAF-HC) facilities were upgraded with a removable “Air Shower Curtain” (AShC) containment enclosure between the mobile platforms around JWST. The preparation of these Ariane 5 launch system adaptations started several years before the launch campaign with close cooperation and coordination between Arianespace, ArianeGroup, the European Space Agency (ESA) and the National Aeronautics and Space Administration (NASA). This paper describes their specificities and addresses the challenges experienced to achieve the successful mission preparation.

Contamination Control, James Webb Space Telescope,↗
NASA NTRS2010

Multi-Stage System for Automatic Target Recognition

A multi-stage automated target recognition (ATR) system has been designed to perform computer vision tasks with adequate proficiency in mimicking human vision. The system is able to detect, identify, and track targets of interest. Potential regions of interest (ROIs) are first identified by the detection stage using an Optimum Trade-off Maximum Average Correlation Height (OT-MACH) filter combined with a wavelet transform. False positives are then eliminated by the verification stage using feature extraction methods in conjunction with neural networks. Feature extraction transforms the ROIs using filtering and binning algorithms to create feature vectors. A feedforward back-propagation neural network (NN) is then trained to classify each feature vector and to remove false positives. The system parameter optimizations process has been developed to adapt to various targets and datasets. The objective was to design an efficient computer vision system that can learn to detect multiple targets in large images with unknown backgrounds. Because the target size is small relative to the image size in this problem, there are many regions of the image that could potentially contain the target. A cursory analysis of every region can be computationally efficient, but may yield too many false positives. On the other hand, a detailed analysis of every region can yield better results, but may be computationally inefficient. The multi-stage ATR system was designed to achieve an optimal balance between accuracy and computational efficiency by incorporating both models. The detection stage first identifies potential ROIs where the target may be present by performing a fast Fourier domain OT-MACH filter-based correlation. Because threshold for this stage is chosen with the goal of detecting all true positives, a number of false positives are also detected as ROIs. The verification stage then transforms the regions of interest into feature space, and eliminates false positives using an artificial neural network classifier. The multi-stage system allows tuning the detection sensitivity and the identification specificity individually in each stage. It is easier to achieve optimized ATR operation based on its specific goal. The test results show that the system was successful in substantially reducing the false positive rate when tested on a sonar and video image datasets.

Chao, Tien-Hsin↗
NASA NTRS1992

Adaptive control of Space Station with control moment gyros

An adaptive approach to Space Station attitude control is investigated. The main components of the controller are the parameter identification scheme, the control gain calculation, and the control law. The control law is a full-state feedback space station baseline control law. The control gain calculation is based on linear-quadratic regulator theory with eigenvalues placement in a vertical strip. The parameter identification scheme is a recursive extended Kalman filter that estimates the inertias and also provides an estimate of the unmodeled disturbances due to the aerodynamic torques and to the nonlinear effects. An analysis of the inertia estimation problem suggests that it is possible to estimate Space Station inertias accurately during nominal control moment gyro operations. The closed-loop adaptive control law is shown to be capable of stabilizing the Space Station after large inertia changes. Results are presented for the pitch axis.

Bishop, Robert H.↗
NASA NTRS2002

A Nonlinear, Human-Centered Approach to Motion Cueing with a Neurocomputing Solver

This paper discusses the continuation of research into the development of new motion cueing algorithms first reported in 1999. In this earlier work, two viable approaches to motion cueing were identified: the coordinated adaptive washout algorithm or 'adaptive algorithm', and the 'optimal algorithm'. In this study, a novel approach to motion cueing is discussed that would combine features of both algorithms. The new algorithm is formulated as a linear optimal control problem, incorporating improved vestibular models and an integrated visual-vestibular motion perception model previously reported. A control law is generated from the motion platform states, resulting in a set of nonlinear cueing filters. The time-varying control law requires the matrix Riccati equation to be solved in real time. Therefore, in order to meet the real time requirement, a neurocomputing approach is used to solve this computationally challenging problem. Single degree-of-freedom responses for the nonlinear algorithm were generated and compared to the adaptive and optimal algorithms. Results for the heave mode show the nonlinear algorithm producing a motion cue with a time-varying washout, sustaining small cues for a longer duration and washing out larger cues more quickly. The addition of the optokinetic influence from the integrated perception model was shown to improve the response to a surge input, producing a specific force response with no steady-state washout. Improved cues are also observed for responses to a sway input. Yaw mode responses reveal that the nonlinear algorithm improves the motion cues by reducing the magnitude of negative cues. The effectiveness of the nonlinear algorithm as compared to the adaptive and linear optimal algorithms will be evaluated on a motion platform, the NASA Langley Research Center Visual Motion Simulator (VMS), and ultimately the Cockpit Motion Facility (CMF) with a series of pilot controlled maneuvers. A proposed experimental procedure is discussed. The results of this evaluation will be used to assess motion cueing performance.

Telban, Robert J.↗
DOE OSTI2026

Genomic signatures in Variovorax enabling colonization of the Populus endosphere

Microbial colonization of plant roots involves strong selective pressures that shape the structure and function of root-associated communities. In particular, the endosphere represents a highly selective environment requiring host entry and in planta persistence. However, strain-specific microbial traits that enable endosphere colonization remain poorly understood. Here, we use a defined, genome-resolved community of 28 Variovorax strains isolated from the roots of Populus deltoides and Populus trichocarpa (poplar trees) to determine which strains partition between rhizosphere and endosphere compartments and to identify the genomic traits associated with endosphere specialization. By combining strain-resolved metagenomic profiling, comparative genomics, and functional assays, we demonstrate that dominant endosphere colonizers are enriched in genes related to nutrient metabolism, redox balance, transcriptional regulation, and a conserved L-fucose utilization pathway experimentally shown to enhance root colonization. Not all strains succeed through the same strategy. Community-wide functional profiling revealed a distinct and reduced set of traits in the endosphere, including orthogroups associated with low-abundance strains that were overlooked in strain-level analyses. These findings reveal that multiple ecological strategies, such as metabolic competition, regulatory adaptation, and niche specialization, can support endosphere colonization. Our results advance the understanding of how bacterial colonization traits are distributed and deployed within a plant microbiome and suggest that host filtering selects for distinct, and sometimes complementary, microbial strategies. This work supports a shift toward mechanistic, genome-resolved models of microbiome assembly and offers a framework for linking microbial function to host colonization success.

comparative genomics↗