Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “high dimension”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3

Experimental entropic uncertainty relations in dimensions three to five

We provide experimental validation of tight entropic uncertainty relations for the Shannon entropies of observables with mutually unbiased eigenstates in high dimensions. In particular, we address the cases of dimensions 𝑑 = 3, 4, and 5 and consider from 2 to 𝑑 + 1 mutually unbiased bases. The experiment is based on pulsed frequency bins measured with a multioutput quantum pulse gate, which can perform projective measurements on a complete high-dimensional basis in the time-frequency domain. Our results fit the theoretical predictions: the bound on the sum of the entropies is never violated and is saturated by the states that minimize the uncertainty relations.

Serino, Laura [Paderborn University (Germany)] (OR↗

Convex Decreasing Algorithms: Distributed Synthesis and Finite-Time Termination in Higher Dimension

Here we establish finite time termination algorithms for consensus algorithms based on geometric properties that yield finite-time guarantees, suited for use in high dimension and in the absence of a central authority. These pursuits motivate a new peer to peer convex hull algorithm which is utilized for one stopping algorithm. Further an alternative lightweight norm based stopping criteria is also developed. The practical utility of the algorithm is illustrated through MATLAB simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Quantum tomography meets dynamical systems and bifurcations theory

A powerful tool for studying geometrical problems in Hilbert spaces is developed. We demonstrate the convergence and robustness of our method in every dimension by considering dynamical systems theory. This method provides numerical solutions to hard problems involving many coupled nonlinear equations in low and high dimensions (e.g., quantum tomography problem, existence and classification of Pauli partners, mutually unbiased bases, complex Hadamard matrices, equiangular tight frames, etc.). Additionally, this tool can be used to find analytical solutions and also to implicitly prove the existence of solutions. Here, we develop the theory for the quantum pure state tomography problem in finite dimensions but this approach is straightforwardly extended to the rest of the problems. We prove that solutions are always attractive fixed points of a nonlinear operator explicitly given. As an application, we show that the statistics collected from three random orthonormal bases is enough to reconstruct pure states from experimental (noisy) data in every dimension d ⩽ 32.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

TU-F-18C-09: Mammogram Surveillance Using Texture Analysis for Breast Cancer Patients After Radiation Therapy

Purpose: To study the feasibility of applying cancer risk model established from treated patients to predict the risk of recurrence on follow-up mammography after radiation therapy for both ipsilateral and contralateral breast. Methods: An extensive set of textural feature functions was applied to a set of 196 Mammograms from 50 patients. 56 Mammograms from 28 patients were used as training set, 44 mammograms from 22 patients were used as test set and the rest were used for prediction. Feature functions include Histogram, Gradient, Co-Occurrence Matrix, Run-Length Matrix and Wavelet Energy. An optimum subset of the feature functions was selected by Fisher Coefficient (FO) or Mutual Information (MI) (up to top 10 features) or a method combined FO, MI and Principal Component (FMP) (up to top 30 features). One-Nearest Neighbor (1-NN), Linear Discriminant Analysis (LDA) and Nonlinear Discriminant Analysis (NDA) were utilized to build a risk model of breast cancer from the training set of mammograms at the time of diagnosis. The risk model was then used to predict the risk of recurrence from mammogram taken one year and three years after RT. Results: FPM with NDA has the best classification power in classifying the training set of the mammogram with lesions versus those without lesions. The model of FPM with NDA achieved a true positive (TP) rate of 82% compared to 45.5% of using FO with 1-NN. The best false positive (FP) rates were 0% and 3.6% in contra-lateral breast of 1-year and 3-years after RT, and 10.9% in ipsi-lateral breast of 3-years after RT. Conclusion: Texture analysis offers high dimension to differentiate breast tissue in mammogram. Using NDA to classify mammogram with lesion from mammogram without lesion, it can achieve rather high TP and low FP in the surveillance of mammogram for patient with conservative surgery combined RT.

60 APPLIED LIFE SCIENCES↗

High-Throughput Computation and the Applicability of Monte Carlo Integration in Fatigue Load Estimation of Floating Offshore Wind Turbines

Long-term fatigue loads for floating offshore wind turbines are hard to estimate because they require the evaluation of the integral of a highly nonlinear function over a wide variety of wind and wave conditions. Current design standards involve scanning over a uniform rectangular grid of metocean inputs (e.g., wind speed and direction and wave height and period), which becomes intractable in high dimensions as the number of required evaluations grows exponentially with dimension. Monte Carlo integration offers a potentially efficient alternative because it has theoretical convergence proportional to the inverse of the square root of the number of samples, which is independent of dimension. In this paper, we first report on the integration of the aeroelastic code FAST into NREL's systems engineering tool, WISDEM, and the development of a high-throughput pipeline capable of sampling from arbitrary distributions, running FAST on a large scale, and postprocessing the results into estimates of fatigue loads. Second, we use this tool to run a variety of studies aimed at comparing grid-based and Monte Carlo-based approaches with calculating long-term fatigue loads. We observe that for more than a few dimensions, the Monte Carlo approach can represent a large improvement in computational efficiency, but that as nonlinearity increases, the effectiveness of Monte Carlo is correspondingly reduced. The present work sets the stage for future research focusing on using advanced statistical methods for analysis of wind turbine fatigue as well as extreme loads.

17 WIND ENERGY↗

Localization in Fractonic Random Circuits

We study the spreading of initially local operators under unitary time evolution in a one-dimensional random quantum circuit model that is constrained to conserve a U ( 1 ) charge and also the dipole moment of this charge. These constraints are motivated by the quantum dynamics of fracton phases. We discover that the charge remains localized at its initial position, providing a crisp example of a nonergodic dynamical phase of random circuit dynamics. This localization can be understood as a consequence of the return properties of low-dimensional random walks, through a mechanism reminiscent of weak localization, but insensitive to dephasing. The charge dynamics is well described by a system of coupled hydrodynamic equations, which makes several nontrivial predictions that are all in good agreement with numerics in one dimension. Importantly, these equations also predict localization in two-dimensional fractonic random circuits. We further find that the immobile fractonic charge emits nonconserved operators, whose spreading is governed by exponents that are distinct from those observed in nonfractonic circuits. These nonstandard exponents are also explained by our coupled hydrodynamic equations. Where entanglement properties are concerned, we find that fractonic operators exhibit a short time linear growth of observable entanglement with saturation to an area law, as well as a subthermal volume law for operator entanglement. The entanglement spectrum is found to follow semi-Poisson statistics, similar to eigenstates of many-body localized systems. The nonergodic phenomenology is found to persist to initial conditions containing nonzero density of dipolar or fractonic charge, including states near the sector of maximal charge. Our work implies that low-dimensional fracton systems should preserve forever a memory of their initial conditions in local observables under noisy quantum dynamics, thereby constituting ideal memories. It also implies that one- and two-dimensional fracton systems should realize true many-body localization (MBL) under Hamiltonian dynamics, even in the absence of disorder, with the obstructions to MBL in translation-invariant systems and in spatial dimensions greater than one being evaded by the nature of the mechanism responsible for localization. We also suggest a possible route to new nonergodic phases in high dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Beyond PCA: Additional Dimension Reduction Techniques to Consider in the Development of Climate Fingerprints

Abstract Dimension reduction techniques are an essential part of the climate analyst’s toolkit. Due to the enormous scale of climate data, dimension reduction methods are used to identify major patterns of variability within climate dynamics, to create compelling and informative visualizations, and to quantify major named modes such as El Niño–Southern Oscillation. Principal components analysis (PCA), also known as the method of empirical orthogonal functions (EOFs), is the most commonly used form of dimension reduction, characterized by a remarkable confluence of attractive mathematical, statistical, and computational properties. Despite its ubiquity, PCA suffers from several difficulties relevant to climate science: high computational burden with large datasets, decreased statistical accuracy in high dimensions, and difficulties comparing across multiple datasets. In this paper, we introduce several variants of PCA that are likely to be of use in climate sciences and address these problems. Specifically, we introduce non-negative , sparse , and tensor PCA and demonstrate how each approach provides superior pattern recognition in climate data. We also discuss approaches to comparing PCA-family results within and across datasets in a domain-relevant manner. We demonstrate these approaches through an analysis of several runs of the E3SM climate model from 1991 to 1995, focusing on the simulated response to the Mt. Pinatubo eruption; our findings are consistent with a recently identified stratospheric warming fingerprint associated with this type of stratospheric aerosol injection.

Weylandt, Michael↗

Ulysses - The first high-latitude heliospheric mission

The Ulysses mission will, for the first time, explore the heliosphere within a few astronomical units of the sun over the full range of heliographic latitudes, thereby providing the first characterization of the uncharted third dimension. Highly sophisticated scientific instrumentation carried on board the spacecraft is designed to measure the properties of the solar wind, the sun/wind interface, the heliospheric magnetic field, solar radio bursts and plasma waves, solar X-rays, solar and galactic cosmic rays, and interplanetary/interstellar neutral gas and dust. This collaborative ESA/NASA mission, scheduled for launch in October 1990, will use a Jupiter gravity-assist to achieve a trajectory extending to high solar latitudes /1,2/.

Wenzel, K.-P.↗

Extreme-Scale Bayesian Inference for Uncertainty Quantification of Complex Simulations

Uncertainty quantification (UQ)—that is, quantifying uncertainties in complex mathematical models and their large-scale computational implementations—is widely viewed as one of the outstanding challenges facing the field of CS&E over the coming decade. The EUREKA project set to address the most difficult class of UQ problems: those for which both the underlying PDE model as well as the uncertain parameters are of extreme scale. In the project we worked on these extreme-scale challenges in the following four areas: 1. Scalable parallel algorithms for sampling and characterizing the posterior distribution that exploit the structure of the underlying PDEs and parameter-to-observable map. These include structure-exploiting versions of the randomized maximum likelihood method, which aims to overcome the intractability of employing conventional MCMC methods for solving extreme-scale Bayesian inversion problems by appealing to and adapting ideas from large-scale PDE-constrained optimization, which have been very successful at exploring high-dimensional spaces. 2. Scalable parallel algorithms for construction of prior and likelihood functions based on learning methods and non-parametric density estimation. Constructing problem-specific priors remains a critical challenge in Bayesian inference, and more so in high dimensions. Another challenge is construction of likelihood functions that capture unmodeled couplings between observations and parameters. We will create parallel algorithms for non-parametric density estimation using high dimensional N-body methods and combine them with supervised learning techniques for the construction of priors and likelihood functions. 3. Bayesian inadequacy models, which augment physics models with stochastic models that represent their imperfections. The success of the Bayesian inference framework depends on the ability to represent the uncertainty due to imperfections of the mathematical model of the phenomena of interest. This is a central challenge in UQ, especially for large-scale models. We propose to develop the mathematical tools to address these challenges in the context of extreme-scale problems. 4. Parallel scalable algorithms for Bayesian optimal experimental design (OED). Bayesian inversion yields quantified uncertainties in the model parameters, which can be propagated forward through the model to yield uncertainty in outputs of interest. This opens the way for designing new experiments to reduce the uncertainties in the model parameters and model predictions. Such experimental design problems have been intractable for large-scale problems using conventional methods; we will create OED algorithms that exploit the structure of the PDE model and the parameter-to-output map to overcome these challenges. Parallel algorithms for these four problems were created, analyzed, prototyped, implemented, tuned, and scaled up for leading-edge supercomputers, including UT-Austin’s own 10 petaflops Stampede system, ANL’s Mira system, and ORNL’s Titan system. While our focus is on fundamental mathematical/computational methods and algorithms, we will assess our methods on model problems derived from several DOE mission applications, including multiscale mechanics and ice sheet dynamics.

97 MATHEMATICS AND COMPUTING↗

Double copy for massive scalar field theories

We explore extensions of the double copy to massive theories and find a new cubic theory with a local double copy. We consider the nonlinear sigma model and the special galileon theory, massless versions of which are known to be related through the double copy. We show that by performing a Kaluza-Klein reduction of these theories from five dimensions down to four, a double copy relation exists between the resulting massive four-dimensional scalar field theories. This requires the vanishing contribution of new galileon terms arising in high dimensions. We further explore if other interactions that do not arise from a dimensional reduction of the nonlinear sigma model could be double copied and find a new cubic interaction which satisfies the BCJ relations up to 5-point amplitudes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions

The problem of predicting polymorphism in atomic and molecular crystals constitutes a significant challenge both experimentally and theoretically. From the theoretical viewpoint, polymorphism prediction falls into the general class of problems characterized by an underlying rough energy landscape, and consequently, free energy based enhanced sampling approaches can be brought to bear on the problem. In this paper, we build on a scheme previously introduced by two of the authors in which the lengths and angles of the supercell are targeted for enhanced sampling via temperature accelerated adiabatic free energy dynamics [T. Q. Yu and M. E. Tuckerman, Phys. Rev. Lett. 107, 015701 (2011)]. Here, that framework is expanded to include general order parameters that distinguish different crystalline arrangements as target collective variables for enhanced sampling. The resulting free energy surface, being of quite high dimension, is nontrivial to reconstruct, and we discuss one particular strategy for performing the free energy analysis. The method is applied to the study of polymorphism in xenon crystals at high pressure and temperature using the Steinhardt order parameters without and with the supercell included in the set of collective variables. The expected fcc and bcc structures are obtained, and when the supercell parameters are included as collective variables, we also find several new structures, including fcc states with hcp stacking faults. We also apply the new method to the solid-liquid phase transition in copper at 1300 K using the same Steinhardt order parameters. Our method is able to melt and refreeze the system repeatedly, and the free energy profile can be obtained with high efficiency.

36 MATERIALS SCIENCE↗

Hyperspectral Image Classification Using Graph Clustering Methods

Hyperspectral imagery is a challenging modality due to the dimension of the pixels which can range from hundreds to over a thousand frequencies depending on the sensor. Most methods in the literature reduce the dimension of the data using a method such as principal component analysis, however this procedure can lose information. More recently methods have been developed to address classification of large datasets in high dimensions. This paper presents two classes of graph-based classification methods for hyperspectral imagery. Using the full dimensionality of the data, we consider a similarity graph based on pairwise comparisons of pixels. The graph is segmented using a pseudospectral algorithm for graph clustering that requires information about the eigenfunctions of the graph Laplacian but does not require computation of the full graph. We develop a parallel version of the Nyström extension method to randomly sample the graph to construct a low rank approximation of the graph Laplacian. With at most a few hundred eigenfunctions, we can implement the clustering method designed to solve a variational problem for a graph-cut-based semi-supervised or unsupervised classification problem. We implement OpenMP directive-based parallelism in our algorithms and show performance improvement and strong, almost ideal, scaling behavior. The method can handle very large datasets including a video sequence with over a million pixels, and the problem of segmenting a data set into a pre-determined number of classes.

47 OTHER INSTRUMENTATION↗

Generalized Quantum Convolution for Multidimensional Data

The convolution operation plays a vital role in a wide range of critical algorithms across various domains, such as digital image processing, convolutional neural networks, and quantum machine learning. In existing implementations, particularly in quantum neural networks, convolution operations are usually approximated by the application of filters with data strides that are equal to the filter window sizes. One challenge with these implementations is preserving the spatial and temporal localities of the input features, specifically for data with higher dimensions. In addition, the deep circuits required to perform quantum convolution with a unity stride, especially for multidimensional data, increase the risk of violating decoherence constraints. In this work, we propose depth-optimized circuits for performing generalized multidimensional quantum convolution operations with unity stride targeting applications that process data with high dimensions, such as hyperspectral imagery and remote sensing. We experimentally evaluate and demonstrate the applicability of the proposed techniques by using real-world, high-resolution, multidimensional image data on a state-of-the-art quantum simulator from IBM Quantum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)

With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.

97 MATHEMATICS AND COMPUTING↗

Simulating sticky particles: A Monte Carlo method to sample a stratification

Many problems in materials science and biology involve particles interacting with strong, short-ranged bonds that can break and form on experimental timescales. Treating such bonds as constraints can significantly speed up sampling their equilibrium distribution, and there are several methods to sample probability distributions subject to fixed constraints. We introduce a Monte Carlo method to handle the case when constraints can break and form. More generally, the method samples a probability distribution on a stratification: a collection of manifolds of different dimensions, where the lower-dimensional manifolds lie on the boundaries of the higher-dimensional manifolds. We show several applications of the method in polymer physics, self-assembly of colloids, and volume calculation in high dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicting Ice Sheet and Climate Evolution at Extreme Scales

A main research objectives of PISCEES is the development of formal methods for quantifying uncertainties in ice sheet modeling. Uncertainties in simulating and projecting mass loss from the polar ice sheets arise primarily from initial conditions, surface and basal boundary conditions, and model parameters. In general terms, two main chains of uncertainty propagation may be identified: 1. inverse propagation of observation and/or prior onto posterior control variable uncertainties; 2. forward propagation of prior or posterior control variable uncertainties onto those of target output quantities of interest (e.g., climate indices or ice sheet mass loss). A related goal is the development of computationally efficient methods for producing initial conditions for an ice sheet that are close to available present-day observations and essentially free of artificial model drift, which is required in order to be useful for model projections (“initialization problem”). To be of maximum value, such optimal initial states should be accompanied by “useful” uncertainty estimates that account for the different sources of uncerainties, as well as the degree to which the optimum state is constrained by available observations. The PISCEES proposal outlined two approaches for quantifying uncertainties. The first targets the full exploration of the uncertainty in model projections with sampling-based methods and a workflow managed by DAKOTA (the main delivery vehicle for software developed under QUEST). This is feasible for low-dimensional problems, e.g., those with a handful of global parameters to be inferred. This approach can benefit from derivative/adjoint information, but it is not necessary, which is why it often referred to as “non-intrusive”. The second approach makes heavy use of derivative information from model adjoints to address quantifying uncertainty in high-dimensions (e.g., basal boundary conditions in ice sheet models). The use of local gradient, or Hessian information (i.e., second derivatives of the cost function), requires additional code development and implementation, and is thus often referred to as an “intrusive” approach. Within PISCEES, MIT has been tasked to develop methods for derivative-based UQ, the ”intrusive” approach discussed above. These methods rely on the availability of first (adjoint) and second (Hessian) derivative code, developed through intrusive methods such as algorithmic differentiation (AD). While representing a significant burden in terms of code development, derivative-baesd UQ is able to cope with very high-dimensional uncertainty spaces. That is, unlike sampling methods (all variations of Monte Carlo), calculational burden is independent of the dimension of the uncertainty space. This is a significant advantage for spatially distributed uncertainty fields, such as threedimensional initial conditions, three-dimensional parameter fields, or two-dimensional surface and basal boundary conditions. Importantly, uncertainty fields for ice sheet models generally fall into this category.

97 MATHEMATICS AND COMPUTING↗

Non-parametric Lagrangian biasing from the insights of neural nets

We present a Lagrangian model of galaxy clustering bias in which we train a neural net using the local properties of the smoothed initial density field to predict the late-time mass-weighted halo field.By fitting the mass-weighted halo field in the AbacusSummit simulations at z = 0.5, we find that including three coarsely spaced smoothing scales gives the best recovery of the halo power spectrum. Adding more smoothing scales may lead to 2–5% underestimation of the large-scale power and can cause the neural net to overfit.We find that the fitted halo-to-mass ratio can be well described by two directions in the original high-dimension feature space.Projecting the original features into these two principal components and re-training the neural net either reproduces the original training result, or outperforms it with a better match of the halo power spectrum. The elements of the principal components are unlikely to be assigned physical meanings, partly owing to the features being highly correlated between different smoothing scales.Our work illustrates a potential need to include multiple smoothing scales when studying galaxy bias, and this can be done easily with machine-learning methods that can take in high dimensional input feature space.

79 ASTRONOMY AND ASTROPHYSICS↗

Remark on Algorithm 1012: Computing Projections with Large Datasets

In ACM TOMS Algorithm 1012, the DELAUNAYSPARSE software is given for performing Delaunay interpolation in medium to high dimensions. When extrapolating outside the convex hull of the training set, DELAUNAYSPARSE calls the nonnegative least squares solver DWNNLS to compute projections onto the convex hull. However, DWNNLS and many other available sum-of-squares optimization solvers were not intended for usage with many variable problems, which result from the large training sets that are typical in machine learning applications. Thus, a new PROJECT subroutine is given, based on the highly customizable quadratic program solver BQPD. This solution is shown to be as robust as DELAUNAYSPARSE for projection onto both synthetic and real-world datasets, where other available solvers frequently fail. Although it is intended as an update for DELAUNAYSPARSE, due to the difficulty and prevalence of the problem, this solution is likely to be of external interest as well.

97 MATHEMATICS AND COMPUTING↗