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At least 271 records · Page 15

BoBa

BoBa is a C++ software library for working with large matrices, tensors, and tensor decompositions. The library provides tools for dense matrix and tensor operations, tensor decompositions, and tensor decomposition methods that support modern CPU and GPU architectures. It includes portable abstractions for linear algebra, tensor algebra, and multidimensional computation. BoBa is intended for scientific computing applications that involve large multidimensional data sets or high dimensional mathematical models. Its capabilities support tasks such as data compression, linear algebra, efficient numerical computation, and the development of scalable algorithms for heterogeneous hardware. Tutorials, tests, and example applications are included to help users learn and apply the library.

Yao, Jin [Lawrence Livermore National Laboratory (↗

High dimensional feature reduction via projection pursuit

The recent development of more sophisticated remote sensing systems enables the measurement of radiation in many more spectral intervals than previously possible. An example of that technology is the AVIRIS system, which collects image data in 220 bands. As a result of this, new algorithms must be developed in order to analyze the more complex data effectively. Data in a high dimensional space presents a substantial challenge, since intuitive concepts valid in a 2-3 dimensional space to not necessarily apply in higher dimensional spaces. For example, high dimensional space is mostly empty. This results from the concentration of data in the corners of hypercubes. Other examples may be cited. Such observations suggest the need to project data to a subspace of a much lower dimension on a problem specific basis in such a manner that information is not lost. Projection Pursuit is a technique that will accomplish such a goal. Since it processes data in lower dimensions, it should avoid many of the difficulties of high dimensional spaces. In this paper, we begin the investigation of some of the properties of Projection Pursuit for this purpose.

Jimenez, Luis↗

Probabilistic error estimation for non-intrusive reduced models learned from data of systems governed by linear parabolic partial differential equations

This work derives a residual-based a posteriori error estimator for reduced models learned with non-intrusive model reduction from data of high-dimensional systems governed by linear parabolic partial differential equations with control inputs. It is shown that quantities that are necessary for the error estimator can be either obtained exactly as the solutions of least-squares problems in a non-intrusive way from data such as initial conditions, control inputs, and high-dimensional solution trajectories or bounded in a probabilistic sense. Here, the computational procedure follows an offline/online decomposition. In the offline (training) phase, the high-dimensional system is judiciously solved in a black-box fashion to generate data and to set up the error estimator. In the online phase, the estimator is used to bound the error of the reduced-model predictions for new initial conditions and new control inputs without recourse to the high-dimensional system. Numerical results demonstrate the workflow of the proposed approach from data to reduced models to certified predictions.

97 MATHEMATICS AND COMPUTING↗

Scalable posterior approximations for large-scale Bayesian inverse problems via likelihood-informed parameter and state reduction

Two prime bottlenecks to the solution of large-scale Bayesian inverse problems are the scaling of posterior sampling algorithms to high-dimensional parameter spaces and the computational cost of forward model evaluations. However, incomplete or noisy data, the state variation and parameter dependence of the forward model, and correlations in the prior collectively provide useful structure that can be exploited for dimension reduction in this setting—both in the parameter space of the inverse problem and in the state space of the forward model. To this end, we show how to jointly construct low-dimensional subspaces of the parameter space and the state space in order to accelerate the Bayesian solution of the inverse problem. As a byproduct of state dimension reduction, we also show how to identify low-dimensional subspaces of the data in problems with high-dimensional observations. These subspaces enable approximation of the posterior as a product of two factors: (i) a projection of the posterior onto a low-dimensional parameter subspace, wherein the original likelihood is replaced by an approximation involving a reduced model; and (ii) the marginal prior distribution on the high-dimensional complement of the parameter subspace. We introduce and compare several strategies for constructing these subspaces using only a limited number of forward and adjoint model simulations. The resulting posterior approximations can rapidly be characterized using standard sampling techniques, e.g., Markov chain Monte Carlo. Two numerical examples demonstrate the accuracy and efficiency of our approach: inversion of an integral equation in atmospheric remote sensing, where the data dimension is very high; and the inference of a heterogeneous transmissivity field in a groundwater system, which involves a partial differential equation forward model with high dimensional state and parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physics-coupled data-driven design of high-temperature alloys

We present a materials design loop, which streamlines physics-coupled machine learning (ML) surrogate models to discover new alloy chemistries with improved properties. The efficacy is demonstrated by discovering a high-temperature alumina-forming austenitic (AFA) stainless steel with enhanced creep, followed by experimental validation. The ML models have been trained using a well-curated, highly consistent experimental dataset augmented with synthetic microstructural features from a computational thermodynamic approach. We have populated a large number of hypothetical AFA alloys to explore the high-dimensional composition space and have predicted their creep properties by providing the same synthetic input features obtained from the trained ML models. Uncertainties from the ML training were taken as thresholds for truncating predicted results to identify alloys with improved or deteriorated creep. Individual elemental compositions have been determined via probability density distribution analysis from the group of alloys at the top and bottom of the predicted creep values for further virtual and experimental validations. In conclusion, we anticipate that this workflow can be applied to screen desired conditions, such as chemistry and processing parameters, in high-dimensional space through physics-guided data analytics.

Alloy design↗

Online data-driven changepoint detection for high-dimensional dynamical systems

In this study, the detection of anomalies or transitions in complex dynamical systems is of critical importance to various applications. In this study, we propose the use of machine learning to detect changepoints for high-dimensional dynamical systems. Here, changepoints indicate instances in time when the underlying dynamical system has a fundamentally different characteristic—which may be due to a change in the model parameters or due to intermittent phenomena arising from the same model. We propose two complementary approaches to achieve this, with the first devised using arguments from probabilistic unsupervised learning and the latter devised using supervised deep learning. To accelerate the deployment of transition detection algorithms in high-dimensional dynamical systems, we introduce dimensionality reduction techniques. Our experiments demonstrate that transitions can be detected efficiently, in real-time, for the two-dimensional forced Kolmogorov flow and the Rössler dynamical system, which are characterized by anomalous regimes in phase space where dynamics are perturbed off the attractor at potentially uneven intervals. Finally, we also demonstrate how variations in the frequency of detected changepoints may be utilized to detect a significant modification to the underlying model parameters by utilizing the Lorenz-63 dynamical system.

97 MATHEMATICS AND COMPUTING↗

Machine Learning Driven Contouring of High-Frequency Four-Dimensional Cardiac Ultrasound Data

Automatic boundary detection of 4D ultrasound (4DUS) cardiac data is a promising yet challenging application at the intersection of machine learning and medicine. Using recently developed murine 4DUS cardiac imaging data, we demonstrate here a set of three machine learning models that predict left ventricular wall kinematics along both the endo- and epi-cardial boundaries. Each model is fundamentally built on three key features: (1) the projection of raw US data to a lower dimensional subspace, (2) a smoothing spline basis across time, and (3) a strategic parameterization of the left ventricular boundaries. Model 1 is constructed such that boundary predictions are based on individual short-axis images, regardless of their relative position in the ventricle. Model 2 simultaneously incorporates parallel short-axis image data into their predictions. Model 3 builds on the multi-slice approach of model 2, but assists predictions with a single ground-truth position at end-diastole. To assess the performance of each model, Monte Carlo cross validation was used to assess the performance of each model on unseen data. For predicting the radial distance of the endocardium, models 1, 2, and 3 yielded average R2 values of 0.41, 0.49, and 0.71, respectively. Monte Carlo simulations of the endocardial wall showed significantly closer predictions when using model 2 versus model 1 at a rate of 48.67%, and using model 3 versus model 2 at a rate of 83.50%. These finding suggest that a machine learning approach where multi-slice data are simultaneously used as input and predictions are aided by a single user input yields the most robust performance. Subsequently, we explore the how metrics of cardiac kinematics compare between ground-truth contours and predicted boundaries. We observed negligible deviations from ground-truth when using predicted boundaries alone, except in the case of early diastolic strain rate, providing confidence for the use of such machine learning models for rapid and reliable assessments of murine cardiac function. To our knowledge, this is the first application of machine learning to murine left ventricular 4DUS data. Future work will be needed to strengthen both model performance and applicability to different cardiac disease models.

4D ultrasound↗

High Performance Input/Output Systems for High Performance Computing and Four-Dimensional Data Assimilation

The approach of this task was to apply leading parallel computing research to a number of existing techniques for assimilation, and extract parameters indicating where and how input/output limits computational performance. The following was used for detailed knowledge of the application problems: 1. Developing a parallel input/output system specifically for this application 2. Extracting the important input/output characteristics of data assimilation problems; and 3. Building these characteristics s parameters into our runtime library (Fortran D/High Performance Fortran) for parallel input/output support.

Fox, Geoffrey C.↗

Deep-freeze graph training for latent learning

Scientific and engineering advances are primarily driven by multi-tier conceptual constructs and conditional theoretical frameworks. The theories allow predictions of hypothetical system responses, given a set of approximate conditions (ranges of applicability) imposed on latent parameters that cannot be measured directly. Learning to estimate the latent variables (Latent Learning) helps to pinpoint the anticipated range-edge anomalies and improves the confidence in interpretation, interpolation and extrapolation of limited experimental data. Due to high dimensionality and extreme non-linearity of the materials science problems, very large datasets are typically required for conventional data-driven model development. The vital experimental data collection, particularly on microstructural phases, is very challenging, which makes it difficult to compile a high-quality database. Incorporation of the domain knowledge into the computational graph structure, initialization and optimization processes presents a viable mechanism for developing accurate models, with limited datasets. Furthermore, this study successfully utilized the approach to build the Deep Freeze Graph (DeepFreG) by mapping known causality relationships and by digitizing empirical domain knowledge for Latent Learning (LL), with specific applications in materials science.

36 MATERIALS SCIENCE↗

Onboard Hyperspectral Image Classification via Transfer Learning for Communication-Limited Spacecraft

Employing deep-learning and artificial-intelligence (AI) techniques onboard spacecraft can dramatically improve priority data selection to ensure more effective use of the available downlink. However, deployment of effective deep-learning models requires significant training on the ground, which may not be feasible, due to limited data available in an unexplored environment. Therefore, this research explores building robust classification models for onboard data processing where training data is highly limited using transfer-learning techniques. In this paper, we focus on the use case of hyperspectral imaging for remote sensing, a domain where the high dimensionality of the data from the sensor can rapidly saturate the downlink bandwidth. With this bottleneck, there is an impending need to autonomously and robustly classify data onboard to optimize downlink of high-impact measurements, thus maximizing the scientific utility per bit transmitted to the ground. This paper examines the use of deep neural networks onboard for hyperspectral image classification in a communication-limited scenario to analyze how the models perform with limited training data. The use of transfer learning can ameliorate the issue of poor generalization by transferring features learned from training on a large source dataset for one classification task to the target classification task with limited training data. For two deep-learning models from literature, we compare the accuracy of the models trained using transfer learning to models trained from scratch using a random weight initialization with varying amounts of training data. We demonstrate the feasibility and performance of running inference of the deep-learning models on representative flight-like hardware.

Advanced Avionics, Machine Learning, Data Processi↗

A Spatiotemporal Indexing Approach for Efficient Processing of Big Array-Based Climate Data with MapReduce

Climate observations and model simulations are producing vast amounts of array-based spatiotemporal data. Efficient processing of these data is essential for assessing global challenges such as climate change, natural disasters, and diseases. This is challenging not only because of the large data volume, but also because of the intrinsic high-dimensional nature of geoscience data. To tackle this challenge, we propose a spatiotemporal indexing approach to efficiently manage and process big climate data with MapReduce in a highly scalable environment. Using this approach, big climate data are directly stored in a Hadoop Distributed File System in its original, native file format. A spatiotemporal index is built to bridge the logical array-based data model and the physical data layout, which enables fast data retrieval when performing spatiotemporal queries. Based on the index, a data-partitioning algorithm is applied to enable MapReduce to achieve high data locality, as well as balancing the workload. The proposed indexing approach is evaluated using the National Aeronautics and Space Administration (NASA) Modern-Era Retrospective Analysis for Research and Applications (MERRA) climate reanalysis dataset. The experimental results show that the index can significantly accelerate querying and processing (10 speedup compared to the baseline test using the same computing cluster), while keeping the index-to-data ratio small (0.0328). The applicability of the indexing approach is demonstrated by a climate anomaly detection deployed on a NASA Hadoop cluster. This approach is also able to support efficient processing of general array-based spatiotemporal data in various geoscience domains without special configuration on a Hadoop cluster.

big data↗

Exploratory Data analysis ENvironment eXtreme scale (EDENx)

EDENx is a multivariate data visualization tool that allows interactive user driven analysis of large-scale data sets with high dimensionality. EDENx builds on our earlier system, called EDEN to enable analysis of more dimensions and larger scale data sets. EDENx provides an initial overview of summary statistics for each variable in the data set under investigation. EDENx allows the user to interact with graphical summary plots of the data to investigate subsets and their statistical associations. These plots include histograms, binned scatterplots, binned parallel coordinate plots, timeline plots, and graphical correlation indicators. From the EDENx interface, a user can select a subsample of interest and launch a more detailed data visualization via the EDEN system. EDENx is best suited for high-level, aggregate analysis tasks while EDEN is more appropriate for detail data investigations.

Steed, Chad Allen↗

Surface pressure measurements on the blade of an operating Mod-2 wind turbine with and without vortex generators

Pressure measurements covering a range of wind velocities were made at one span location on the surface of an operating Mod-2, 2500 kW, wind turbine blade. The data, which were taken with and without vortex generators installed on the leading edge, show the existence of higher pressure coefficients than would be expected from two-dimensional wind tunnel data. These high pressure ratios may be the result of three-dimensional flow over the blade, which delays flow separation. Data are presented showing the repetitiveness of abrupt changes in the pressure distribution that occur as the blade rotates. Calculated values of suction and flap coefficients are also presented.

Nyland, Ted W.↗

Data-Efficient Dimensionality Reduction and Surrogate Modeling of High-Dimensional Stress Fields

Tensor datatypes representing field variables like stress, displacement, velocity, etc., have increasingly become a common occurrence in data-driven modeling and analysis of simulations. Numerous methods [such as convolutional neural networks (CNNs)] exist to address the meta-modeling of field data from simulations. As the complexity of the simulation increases, so does the cost of acquisition, leading to limited data scenarios. Modeling of tensor datatypes under limited data scenarios remains a hindrance for engineering applications. Here, in this article, we introduce a direct image-to-image modeling framework of convolutional autoencoders enhanced by information bottleneck loss function to tackle the tensor data types with limited data. The information bottleneck method penalizes the nuisance information in the latent space while maximizing relevant information making it robust for limited data scenarios. The entire neural network framework is further combined with robust hyperparameter optimization. We perform numerical studies to compare the predictive performance of the proposed method with a dimensionality reduction-based surrogate modeling framework on a representative linear elastic ellipsoidal void problem with uniaxial loading. The data structure focuses on the low-data regime (fewer than 100 data points) and includes the parameterized geometry of the ellipsoidal void as the input and the predicted stress field as the output. The results of the numerical studies show that the information bottleneck approach yields improved overall accuracy and more precise prediction of the extremes of the stress field. Additionally, an in-depth analysis is carried out to elucidate the information compression behavior of the proposed framework.

artificial intelligence↗

Physics-Informed Active Learning With Simultaneous Weak-Form Latent Space Dynamics Identification

The parametric greedy latent space dynamics identification (gLaSDI) framework has demonstrated promising potential for accurate and efficient modeling of high-dimensional nonlinear physical systems. However, it remains challenging to handle noisy data. Here, to enhance robustness against noise, we incorporate the weak-form estimation of nonlinear dynamics (WENDy) into gLaSDI. In the proposed weak-form gLaSDI (WgLaSDI) framework, an autoencoder and WENDy are trained simultaneously to discover intrinsic nonlinear latent-space dynamics of high-dimensional data. Compared with the standard sparse identification of nonlinear dynamics (SINDy) employed in gLaSDI, WENDy enables variance reduction and robust latent space discovery, therefore leading to more accurate and efficient reduced-order modeling. Furthermore, the greedy physics-informed active learning in WgLaSDI enables adaptive sampling of optimal training data on the fly for enhanced modeling accuracy. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including viscous and inviscid Burgers' equations, time-dependent radial advection, and the Vlasov equation for plasma physics. With data that contains 5%–10% Gaussian white noise, WgLaSDI outperforms gLaSDI by orders of magnitude, achieving 1%–7% relative errors. Compared with the high-fidelity models, WgLaSDI achieves 121 to 1779x speed-up.

97 MATHEMATICS AND COMPUTING↗

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↗

Data-driven surrogate modeling of hPIC ion energy-angle distributions for high-dimensional sensitivity analysis of plasma parameters' uncertainty

In this work, we present a data-driven strategy for effective construction of a surrogate model in high-dimensional parameter space for the ion energy-angle distribution (IEAD) output of hPIC simulations of plasma-surface interactions. The methodology is based on a bin-by-bin least-squares fitting of the IEAD in the parameter space. The fitting is performed in a transformed coordinate system to normalize the IEAD, and it employs sparse grids for sampling the parameter space to overcome sampling challenges in high dimensions. The surrogate model is significantly cheaper computationally than direct hPIC simulations yet maintains high fidelity to them, providing a fast emulator for hPIC simulations. Sensitivity analysis based on the surrogate model is utilized to characterize the dependence of the ion impact angle and energy moments on the physical parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Sensitivity-Informed Bayesian Inference for Home PLC Network Models with Unknown Parameters

Bayesian inference is used to calibrate a bottom-up home PLC network model with unknown loads and wires at frequencies up to 30 MHz. A network topology with over 50 parameters is calibrated using global sensitivity analysis and transitional Markov Chain Monte Carlo (TMCMC). The sensitivity-informed Bayesian inference computes Sobol indices for each network parameter and applies TMCMC to calibrate the most sensitive parameters for a given network topology. A greedy random search with TMCMC is used to refine the discrete random variables of the network. This results in a model that can accurately compute the transfer function despite noisy training data and a high dimensional parameter space. The model is able to infer some parameters of the network used to produce the training data, and accurately computes the transfer function under extrapolative scenarios.

42 ENGINEERING↗