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At least 883 records · Page 49

Beyond union of subspaces: Subspace pursuit on Grassmann manifold for data representation

Discovering the underlying structure of a high-dimensional signal or big data has always been a challenging topic, and has become harder to tackle especially when the observations are exposed to arbitrary sparse perturbations. Here in this paper, built on the model of a union of subspaces (UoS) with sparse outliers and inspired by a basis pursuit strategy, we exploit the fundamental structure of a Grassmann manifold, and propose a new technique of pursuing the subspaces systematically by solving a non-convex optimization problem using the alternating direction method of multipliers. This problem as noted is further complicated by non-convex constraints on the Grassmann manifold, as well as the bilinearity in the penalty caused by the subspace bases and coefficients. Nevertheless, numerical experiments verify that the proposed algorithm, which provides elegant solutions to the sub-problems in each step, is able to de-couple the subspaces and pursue each of them under time-efficient parallel computation.

97 MATHEMATICS AND COMPUTING↗

TH-CD-206-09: Learning-Based MRI-CT Prostate Registration Using Spare Patch-Deformation Dictionary

Purpose: To enable MRI-guided prostate radiotherapy, MRI-CT deformable registration is required to map the MRI-defined tumor and key organ contours onto the CT images. Due to the intrinsic differences in grey-level intensity characteristics between MRI and CT images, the integration of MRI into CT-based radiotherapy is very challenging. We are developing a learning-based registration approach to address this technical challenge. Methods: We propose to estimate the deformation between MRI and CT images in a patch-wise fashion by using the sparse representation technique. Specifically, we assume that two image patches should follow the same deformation if their patch-wise appearance patterns are similar. We first extract a set of key points in the new CT image. Then, for each key point, we adaptively construct a coupled dictionary from the training MRI-CT images, where each coupled element includes both appearance and deformation of the same image patch. After calculating the sparse coefficients in representing the patch appearance of each key point based on the constructed dictionary, we can predict the deformation for this point by applying the same sparse coefficients to the respective deformations in the dictionary. Results: This registration technique was validated with 10 prostate-cancer patients’ data and its performance was compared with the commonly used free-form-deformation-based registration. Several landmarks in both images were identified to evaluate the accuracy of our approach. Overall, the averaged target registration error of the intensity-based registration and the proposed method was 3.8±0.4 mm and 1.9±0.3 mm, respectively. Conclusion: We have developed a novel prostate MR-CT registration approach based on patch-deformation dictionary, demonstrated its clinical feasibility, and validated its accuracy. This technique will either reduce or compensate for the effect of patient-specific treatment variation measured during the course of radiotherapy, is therefore well-suited for a number of MRI-guided adaptive radiotherapy, and potentially enhance prostate radiotherapy treatment outcome.

60 APPLIED LIFE SCIENCES↗

A Comparison of Machine Learning Methods of Association Tested on Dense Nodal Arrays

The association of phase picks to form events is one of the fundamental components of seismology. Large and dense sensor networks, such as >1000 geophone arrays (and distributed acoustic sensing), offer unique challenges in association due to the vast numbers of observations and high likelihood of errant picks. In addition, the large number of stations can greatly increase the time it takes to perform the association. For this reason, machine learning (ML) methods might provide a more optimal method of association for such networks. In this work, we examine how well ML methods (e.g., Gaussian mixture model association, PhaseLink, and Graph Earthquake Neural Interpretation Engine) can incorporate dense seismic arrays into regional networks and how well they handle the increasing numbers of stations. Here, we test their capabilities on two dense seismic deployments, one within Rock Valley Nevada (52 nodes and a 9-station sparse local network), and the LArge-n Seismic Survey in Oklahoma dense nodal array (>1800 vertical-component geophones). Processing data from these two different styles of dense seismic deployments allows testing of how the ML algorithms can merge array data with a broader regional network, how they deal with poorly picked phases, and how they handle anthropogenic noise. We compare the ML-associated bulletins to those obtained using the Rapid Earthquake Association and Location algorithm, a more traditional method of association. We find that there are very small differences in results between the methods for small networks (<100 stations) with low pick rates. For large networks (>1000), there are enough errant picks that some of the ML methods start to create false events out of noise. We also find that the ML methods vary in computation time significantly but are all faster than the traditional method tested here.

58 GEOSCIENCES↗

Improved Sampling Algorithms in the Risk-Informed Safety Margin Characterization Toolkit

The RISMC approach is developing advanced set of methodologies and algorithms in order to perform Probabilistic Risk Analyses (PRAs). In contrast to classical PRA methods, which are based on Event-Tree and Fault-Tree methods, the RISMC approach largely employs system simulator codes applied to stochastic analysis tools. The basic idea is to randomly perturb (by employing sampling algorithms) timing and sequencing of events and internal parameters of the system codes (i.e., uncertain parameters) in order to estimate stochastic parameters such as core damage probability. This approach applied to complex systems such as nuclear power plants requires to perform a series of computationally expensive simulation runs given a large set of uncertain parameters. These types of analysis are affected by two issues. Firstly, the space of the possible solutions (a.k.a., the issue space or the response surface) can be sampled only very sparsely, and this precludes the ability to fully analyze the impact of uncertainties on the system dynamics. Secondly, large amounts of data are generated and tools to generate knowledge from such data sets are not yet available. This report focuses on the first issue and in particular employs novel methods that optimize the information generated by the sampling process by sampling unexplored and risk-significant regions of the issue space: adaptive (smart) sampling algorithms. They infer system response from surrogate models constructed from existing samples and predict the most relevant location of the next sample. It is therefore possible to understand features of the issue space with a small number of carefully selected samples. In this report, we will present how it is possible to perform adaptive sampling using the RISMC toolkit and highlight the advantages compared to more classical sampling approaches such Monte-Carlo. We will employ RAVEN to perform such statistical analyses using both analytical cases but also another RISMC code: RELAP-7.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Exploration with Scalable Gaussian Process Reinforcement Learning

Exploration is a challenging problem in reinforcement learning (RL), especially in environments with sparse rewards. Quantifying and utilizing the parametric uncertainty has been shown to be paramount for successful exploration [Osband et al., 2018]. Bayesian, or approximately Bayesian, methods present a principled means of estimating the parametric uncertainty in RL problems. Gaussian processes, nonparametric Bayesian models, are often impractical due to poor scalability and computational bottlenecks. We introduce a scalable Gaussian process RL (GPRL) method which directly induces sparsity in the covariance matrix to facilitate faster computation. This is a departure from previous GPRL methods which instead rely on data reduction and subsampling. We compare various covariance-based exploration techniques (Thompson sampling, upper confidence bound, and probabilistic maximum variance) which leverage our scalable GP framework in sparse reward environments. Finally, we show favorable comparison against the bootstrapped deep Q-Network.

97 MATHEMATICS AND COMPUTING↗

Sparse Matrix-Based HPC Tomography

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster frame rates, larger fields of view or higher resolution, so high performance solutions are currently widely used for analysis. Tomographic instruments can vary significantly from one to another, including the hardware employed for reconstruction: from single CPU workstations to large scale hybrid CPU/GPU supercomputers. Furthermore, flexibility on the software interfaces and reconstruction engines are also highly valued to allow for easy development and prototyping. This paper presents a novel software framework for tomographic analysis that tackles all aforementioned requirements. The proposed solution capitalizes on the increased performance of sparse matrix-vector multiplication and exploits multi-CPU and GPU reconstruction over MPI. Furthermore, the solution is implemented in Python and relies on CuPy for fast GPU operators and CUDA kernel integration, and on SciPy for CPU sparse matrix computation. As opposed to previous tomography solutions that are tailor-made for specific use cases or hardware, the proposed software is designed to provide flexible, portable and high-performance operators that can be used for continuous integration at different production environments, but also for prototyping new experimental settings or for algorithmic development. The experimental results demonstrate how our implementation can even outperform state-of-the-art software packages used at advanced X-ray sources worldwide.

97 MATHEMATICS AND COMPUTING↗

Technical note: Using long short-term memory models to fill data gaps in hydrological monitoring networks

Abstract. Quantifying the spatiotemporal dynamics in subsurface hydrological flows over a long time window usually employs a network of monitoring wells. However, such observations are often spatially sparse with potential temporal gaps due to poor quality or instrument failure. In this study, we explore the ability of recurrent neural networks to fill gaps in a spatially distributed time-series dataset. We use a well network that monitors the dynamic and heterogeneous hydrologic exchanges between the Columbia River and its adjacent groundwater aquifer at the U.S. Department of Energy's Hanford site. This 10-year-long dataset contains hourly temperature, specific conductance, and groundwater table elevation measurements from 42 wells with gaps of various lengths. We employ a long short-term memory (LSTM) model to capture the temporal variations in the observed system behaviors needed for gap filling. The performance of the LSTM-based gap-filling method was evaluated against a traditional autoregressive integrated moving average (ARIMA) method in terms of error statistics and accuracy in capturing the temporal patterns of river corridor wells with various dynamics signatures. Our study demonstrates that the ARIMA models yield better average error statistics, although they tend to have larger errors during time windows with abrupt changes or high-frequency (daily and subdaily) variations. The LSTM-based models excel in capturing both high-frequency and low-frequency (monthly and seasonal) dynamics. However, the inclusion of high-frequency fluctuations may also lead to overly dynamic predictions in time windows that lack such fluctuations. The LSTM can take advantage of the spatial information from neighboring wells to improve the gap-filling accuracy, especially for long gaps in system states that vary at subdaily scales. While LSTM models require substantial training data and have limited extrapolation power beyond the conditions represented in the training data, they afford great flexibility to account for the spatial correlations, temporal correlations, and nonlinearity in data without a priori assumptions. Thus, LSTMs provide effective alternatives to fill in data gaps in spatially distributed time-series observations characterized by multiple dominant frequencies of variability, which are essential for advancing our understanding of dynamic complex systems.

54 ENVIRONMENTAL SCIENCES↗

Exploiting voxel-sparsity for bone imaging with sparse-view cone-beam computed tomography

An optimization-based image reconstruction frame work is developed specifically for bone imaging. This framework exploits voxel-sparsity by use of ℓ 1 -norm image regularization and it enables image reconstruction from sparse-view cone-beam computed tomography (CBCT) acquisition. The effectiveness of the voxel-sparsity regularization is enhanced by using a blurred image representation. Ramp-filtering is included in the data discrepancy term and it has the effect of acting as a preconditioner, reducing the necessary number of iterations. The bone image reconstruction framework is demonstrated on CBCT data taken from an equine metacarpal condyle specimen.

Bone imaging↗

Organic carbon thermodynamics elucidate spatiotemporal mechanisms governing hyporheic zone biogeochemical cycling

This element of the PNNL SFA has contributed to a predictive understanding of river corridor hydrobiogeochemical function by revealing processes governing the oxidation of organic carbon (OC) in the hyporheic zone. Groundwater-surface water mixing zones (i.e., hyporheic zones) exhibit enhanced biogeochemical cycling, and strongly influence river corridor function. Processes governing biogeochemical cycling in these zones remain a crucial uncertainty in watershed-scale process models. To reveal governing processes we combined ultra-high resolution OC characterization, geophysical monitoring, microbial ecology, and biogeochemical assays to determine novel processes associated with the concept of ‘priming’ and how those processes are influenced by (i) riparian vegetation and (ii) hydrologic mixing in the Columbia River hyporheic zone. Here, priming occurs when microbial oxidation of thermodynamically unfavorable OC is fueled by the addition of more bioavailable OC. Field surveys of sediment-associated OC (and related biogeochemical data) conflicted with priming expectations. We found that inputs of thermodynamically favorable OC protected thermodynamically unfavorable mineral-bound OC. We also found that the presence of riparian vegetation shifted biochemical pathways that drive the oxidation of OC. Further, despite the respective oxidation of water-soluble vs. mineral-bound OC pools in dense and sparsely vegetated areas, thermodynamically favorable OC was preferentially depleted in both areas. This suggests universal thermodynamic principles underlie biogeochemical cycling in the hyporheic zone. In contrast, field surveys of pore water were consistent with priming. These data revealed that groundwater contains thermodynamically favorable OC at low concentrations while surface water contains thermodynamically unfavorable OC at higher concentrations. As such, OC oxidation is concentration-limited in groundwater and thermodynamically-limited in surface water. When groundwater mixes with surface water thermodynamically favorable OC in groundwater primes microbial communities to oxidize less favorable OC compounds in surface water. We also show concomitant deterministic shifts in hyporheic zone microbial communities and shifts in OC biochemical transformations. These results provide a mechanistic foundation for modeling hyporheic zone biogeochemistry under temporally dynamic mixing conditions.

Graham, Emily B.↗

Fibronectin amyloid-like aggregation alters its extracellular matrix incorporation and promotes a single and sparsed cell migration

Highlights: • Fibronectin can polymerize into amyloid-like aggregates. • Fibronectin amyloid-like aggregates promote a sparsed cell migration. • The supramolecular state of fibronectin could fine-tune cell phenotype. Fibronectin (Fn) is an extracellular matrix (ECM) multifunctional glycoprotein essential for regulating cells behaviors. Within ECM, Fn is found as polymerized fibrils. Apart from fibrils, Fn could also form other kind of supramolecular assemblies such as aggregates. To gain insight into the impact of Fn aggregates on cell behavior, we generated several Fn oligomeric assemblies. These assemblies displayed various amyloid-like properties but were not cytotoxic. In presence of the more amyloid-like structured assemblies of Fn, the cell-ECM networks were altered and the cell shapes shifted toward extended mesenchymal morphologies. Additionnaly, the Fn amyloid-like aggregates promoted a single-cell and sparsed migration of SKOV3 cancer cells, which was associated with a relocalization of αv integrins from plasma membrane to perinuclear vesicles. These data pointed out that the features of supramolecular Fn assemblies could represent a higher level of fine-tuning cell phenotype, and especially migration of cancer cells.

60 APPLIED LIFE SCIENCES↗

PreMevE‐MEO: Predicting Ultra‐Relativistic Electrons Using Observations From GPS Satellites

Abstract Ultra‐relativistic electrons with energies greater than or equal to two megaelectron‐volt (MeV) pose a major radiation threat to spaceborne electronics, and thus specifying those highly energetic electrons has a significant meaning to space weather communities. Here we report the latest progress in developing our predictive model for MeV electrons in the outer radiation belt. The new version, primarily driven by electron measurements made along medium‐Earth‐orbits (MEO), is called PREdictive MEV Electron (PreMevE)‐MEO model that nowcasts ultra‐relativistic electron flux distributions across the whole outer belt. Model inputs include >2 MeV electron fluxes observed in MEOs by a fleet of GPS satellites as well as electrons measured by one Los Alamos satellite in the geosynchronous orbit. We developed an innovative Sparse Multi‐Inputs Latent Ensemble NETwork (SmileNet) which combines convolutional neural networks with transformers, and we used long‐term in situ electron data from NASA's Van Allen Probes mission to train, validate, optimize, and test the model. It is shown that PreMevE‐MEO can provide hourly nowcasts with high model performance efficiency and high correlation with observations. This prototype PreMevE‐MEO model demonstrates the feasibility of making high‐fidelity predictions driven by observations from longstanding space infrastructure in MEO, thus has great potential of growing into an invaluable space weather operational warning tool.

79 ASTRONOMY AND ASTROPHYSICS↗

Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC

Abstract Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to train force fields efficiently and automatically. Among them, Bayesian active learning utilizes principled uncertainty quantification to make data acquisition decisions. In this work, we present a general Bayesian active learning workflow, where the force field is constructed from a sparse Gaussian process regression model based on atomic cluster expansion descriptors. To circumvent the high computational cost of the sparse Gaussian process uncertainty calculation, we formulate a high-performance approximate mapping of the uncertainty and demonstrate a speedup of several orders of magnitude. We demonstrate the autonomous active learning workflow by training a Bayesian force field model for silicon carbide (SiC) polymorphs in only a few days of computer time and show that pressure-induced phase transformations are accurately captured. The resulting model exhibits close agreement with both ab initio calculations and experimental measurements, and outperforms existing empirical models on vibrational and thermal properties. The active learning workflow readily generalizes to a wide range of material systems and accelerates their computational understanding.

36 MATERIALS SCIENCE↗

Adapting In Situ Accelerators for Sparsity With Granular Matrix Reordering

Neural network (NN) inference is an essential part of modern systems and is found at the heart of numerous applications ranging from image recognition to natural language processing. In situ NN accelerators can efficiently perform NN inference using resistive crossbars, which makes them a promising solution to the data movement challenges faced by conventional architectures. Although such accelerators demonstrate significant potential for dense NNs, they often do not benefit from sparse NNs, which contain relatively few non-zero weights. Processing sparse NNs on in situ accelerators results in wasted energy to charge the entire crossbar where most elements are zeros. To address this limitation, this paper proposes Granular Matrix Reordering (GMR): a preprocessing technique that enables an energy-efficient computation of sparse NNs on in situ accelerators. GMR reorders the rows and columns of sparse weight matrices to maximize the crossbars' utilization and minimize the total number of crossbars needed to be charged. The reordering process does not rely on sparsity patterns and incurs no accuracy loss. Finally, GMR achieves an average of 28% and up to 34% reduction in energy consumption over seven pruned NNs across four different pruning methods and network architectures.

97 MATHEMATICS AND COMPUTING↗

Detecting False Data Injection Attacks Against Power System State Estimation With Fast Go-Decomposition Approach

State estimation is a fundamental function in modern energy management system, but its results may be vulnerable to false data injection attacks (FDIAs). FDIA is able to change the estimation results without being detected by the traditional bad data detection algorithms. In this paper, we propose an accurate and computational attractive approach for FDIA detection. In this work, we first rely on the low rank characteristic of the measurement matrix and the sparsity of the attack matrix to reformulate the FDIA detection as a matrix separation problem. Then, four algorithms that solve this problem are presented and compared, including the traditional augmented Lagrange multipliers (ALMs), double-noise-dual-problem (DNDP) ALM, the low rank matrix factorization, and the proposed new “Go Decomposition (GoDec).” Numerical simulation results show that our GoDec algorithm outperforms the other three alternatives and demonstrates a much higher computational efficiency. Furthermore, GoDec is shown to be able to handle measurement noise and applicable for large-scale attacks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Comparing evapotranspiration from Eddy covariance measurements, water budgets, remote sensing, and land surface models over Canada a, b

Here, this study compares six evapotranspiration ET products for Canada's landmass, namely, eddy covariance EC measurements; surface water budget ET; remote sensing ET from MODIS; and land surface model (LSM) ET from the Community Land Model (CLM), the Ecological Assimilation of Land and Climate Observations (EALCO) model, and the Variable Infiltration Capacity model (VIC). The ET climatology over the Canadian landmass is characterized and the advantages and limitations of the datasets are discussed. The EC measurements have limited spatial coverage, making it difficult for model validations at the national scale. Water budget ET has the largest uncertainty because of data quality issues with precipitation in mountainous regions and in the north. MODIS ET shows relatively large uncertainty in cold seasons and sparsely vegetated regions. The LSM products cover the entire landmass and exhibit small differences in ET among them. Annual ET from the LSMs ranges from small negative values to over 600 mm across the landmass, with a countrywide average of 256 ± 15 mm. Seasonally, the countrywide average monthly ET varies from a low of about 3 mm in four winter months (November-February) to 67 ± 7 mm in July. The ET uncertainty is scale dependent. Larger regions tend to have smaller uncertainties because of the offset of positive and negative biases within the region. More observation networks and better quality controls are critical to improving ET estimates. Future techniques should also consider a hybrid approach that integrates strengths of the various ET products to help reduce uncertainties in ET estimation.

54 ENVIRONMENTAL SCIENCES↗

Conditioned Simulation of Ground-Motion Time Series at Uninstrumented Sites Using Gaussian Process Regression

Ground-motion time series are essential input data in seismic analysis and performance assessment of the built environment. Because instruments to record free-field ground motions are generally sparse, methods are needed to estimate motions at locations with no available ground-motion recording instrumentation. In this study, given a set of observed motions, ground-motion time series at target sites are constructed using a Gaussian process regression (GPR) approach, which treats the real and imaginary parts of the Fourier spectrum as random Gaussian variables. Model training, verification, and applicability studies are carried out using the physics-based simulated ground motions of the 1906 Mw 7.9 San Francisco earthquake and Mw 7.0 Hayward fault scenario earthquake in northern California. Additionally, the method’s performance is further evaluated using the 2019 Mw 7.1 Ridgecrest earthquake ground motions recorded by the Community Seismic Network stations located in southern California. These evaluations indicate that the trained GPR model is able to adequately estimate the ground-motion time series for frequency ranges that are pertinent for most earthquake engineering applications. The trained GPR model exhibits proper performance in predicting the long-period content of the ground motions as well as directivity pulses.

58 GEOSCIENCES↗

Automatic Image Point Matching

Sparse Image Point Matching (SIPM) is a foundational technology for photo triangulation, structure from motion (SfM), Simultaneous Location and Mapping (SLAM), and data fusion. The goal of the matching is to automatically generate sets of image coordinates that identify the same feature across images. Ideally, the process should be robust to lighting, scale, perspective, and modality changes. The scope of the image matching topic in the field of remote sensing (RS) is enormous because of the variety of collection platforms, modalities, sensor types, applications, and subjects. In this work, we report the history of and assess the state of the art of visible-spectrum (panchromatic and color) image matching of the Earth’s surface. Work specific to large-format images (LFI) (e.g., metric aerial cameras and Earth-observing satellites) will be highlighted. However, the state of the art in this century will mostly be traced through machine vision research and benchmarks because research specific to LFI is rare.

97 MATHEMATICS AND COMPUTING↗