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arXiv 2021年

作者： Skolnick, Murray Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

It is well-known that the degeneracy of two-phase microstructures with the same volume fraction and two-point correlation function S2(r) is generally infinite. To elucidate the degeneracy problem explicitly, we examine Debye random media, which are entirely defined by a purely exponentially decaying two-point correlation function S2(r). In this work, we consider three different classes of Debye random media. First, we generate the "most probable" class using the Yeong-Torquato construction algorithm [Yeong and Torquato, Phys. Rev. E, 57, 495 (1998)]. A second class of Debye random media is obtained by demonstrating that the corresponding two-point correlation functions are effectively realized in the first three space dimensions by certain models of overlapping, polydisperse spheres. A third class is obtained by using the Yeong-Torquato algorithm to construct Debye random media that are constrained to have an unusual prescribed pore-size probability density function. We structurally discriminate these three classes of Debye random media from one another by ascertaining their other statistical descriptors, including the pore-size, surface correlation, chordlength probability density, and lineal-path functions. We also compare and contrast the percolation thresholds as well as the diffusion and fluid transport properties of these degenerate Debye random media. We find that these three classes of Debye random media are generally distinguished by the aforementioned descriptors and their microstructures are also visually distinct from one another. Our work further confirms the well-known fact that scattering information is insufficient to determine the effective physical properties of two-phase media. Additionally, our findings demonstrate the importance of the other two-point descriptors considered here in the design of materials with a spectrum of physical properties. © 2021, CC BY-SA.

关键词： Random processes

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Adaptive tikhonov strategies for stochastic ensemble Kalman inversion

arXiv

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arXiv 2021年

作者： Weissmann, Simon Chada, Neil K. Schillings, Claudia Tong, Xin T. Interdisciplinary Center for Scientific Computing University of Heidelberg Heidelberg69120 Germany Applied Mathematics and Computational Science Program King Abdullah University of Science and Technology Thuwal KSA 23955 Saudi Arabia Mannheim School of Computer Science and Mathematics University of Mannheim Mannheim68131 Germany Department of Mathematics National University of Singapore Singapore119077 Singapore

Ensemble Kalman inversion (EKI) is a derivative-free optimizer aimed at solving inverse problems, taking motivation from the celebrated ensemble Kalman filter. The purpose of this article is to consider the introduction of adaptive Tikhonov strategies for EKI. This work builds upon Tikhonov EKI (TEKI) which was proposed for a fixed regularization constant. By adaptively learning the regularization parameter, this procedure is known to improve the recovery of the underlying unknown. For the analysis, we consider a continuous-time setting where we extend known results such as well-posdeness and convergence of various loss functions, but with the addition of noisy observations. Furthermore, we allow a time-varying noise and regularization covariance in our presented convergence result which mimic adaptive regularization schemes. In turn we present three adaptive regularization schemes, which are highlighted from both the deterministic and Bayesian approaches for inverse problems, which include bilevel optimization, the MAP formulation and covariance learning. We numerically test these schemes and the theory on linear and nonlinear partial differential equations, where they outperform the non-adaptive TEKI and *** Codes 65M32, 60G35, 65C35, 70F17 Copyright © 2021, The Authors. All rights reserved.

关键词： Continuous time systems

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On the Parameter Combinations that Matter and on Those that do Not

arXiv

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arXiv 2021年

作者： Evangelou, Nikolaos Wichrowski, Noah J. Kevrekidis, George A. Dietrich, Felix Kooshkbaghi, Mahdi McFann, Sarah Kevrekidis, Ioannis G. Department of Chemical and Biomolecular Engineering Johns Hopkins University United States Department of Applied Mathematics and Statistics Johns Hopkins University United States Department of Mathematics and Statistics University of Massachusetts Amherst United States Department of Informatics Technical University of Munich Germany The Program in Applied and Computational Mathematics Princeton University United States Department of Chemical and Biological Engineering Princeton University United States Lewis-Sigler Institute for Integrative Genomics Princeton University United States

We present a data-driven approach to characterizing nonidentifiability of a model’s parameters and illustrate it through dynamic as well as steady kinetic models. By employing Diffusion Maps and their extensions, we discover the minimal combinations of parameters required to characterize the output behavior of a chemical system: a set of effective parameters for the model. Furthermore, we introduce and use a Conformal Autoencoder Neural Network technique, as well as a kernel-based Jointly Smooth Function technique, to disentangle the redundant parameter combinations that do not affect the output behavior from the ones that do. We discuss the interpretability of our data-driven effective parameters, and demonstrate the utility of the approach both for behavior prediction and parameter estimation. In the latter task, it becomes important to describe level sets in parameter space that are consistent with a particular output behavior. We validate our approach on a model of multisite phosphorylation, where a reduced set of effective parameters (nonlinear combinations of the physical ones) has previously been established *** Codes 37E99 (Primary), 68T07 (Secondary) Copyright © 2021, The Authors. All rights reserved.

关键词： Parameter estimation

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Generation and structural characterization of Debye random media

arXiv

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arXiv 2020年

作者： Ma, Zheng Torquato, Salvatore Department of Physics Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

In their seminal paper on scattering by an inhomogeneous solid, Debye and coworkers proposed a simple exponentially decaying function for the two-point correlation function of an idealized class of two-phase random media. Such Debye random media, which have been shown to be realizable, are singularly distinct from all other models of two-phase media in that they are entirely defined by their one- and two-point correlation functions. To our knowledge, there has been no determination of other microstructural descriptors of Debye random media. In this paper, we generate Debye random media in two dimensions using an accelerated Yeong-Torquato construction algorithm. We then ascertain microstructural descriptors of the constructed media, including their surface correlation functions, pore-size distributions, lineal-path function, and chord-length probability density function. Accurate semi-analytic and empirical formulas for these descriptors are devised. We compare our results for Debye random media to those of other popular models (overlapping disks and equilibrium hard disks), and find that the former model possesses a wider spectrum of hole sizes, including a substantial fraction of large holes. Our algorithm can be applied to generate other models defined by their two-point correlation functions, and their other microstructural descriptors can be determined and analyzed by the procedures laid out here. Copyright © 2020, The Authors. All rights reserved.

关键词： Random processes

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Biwhitening reveals the rank of a count matrix

arXiv

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arXiv 2021年

作者： Landa, Boris Zhang, Thomas T.C.K. Kluger, Yuval Program in Applied Mathematics Yale University United States Department of Electrical and Systems Engineering University of Pennsylvania United States Interdepartmental Program in Computational Biology and Bioinformatics Yale University United States Department of Pathology Yale University School of Medicine United States

Estimating the rank of a corrupted data matrix is an important task in data analysis, most notably for choosing the number of components in PCA. Significant progress on this task was achieved using random matrix theory by characterizing the spectral properties of large noise matrices. However, utilizing such tools is not straightforward when the data matrix consists of count random variables, e.g., Poisson, in which case the noise can be heteroskedastic with an unknown variance in each entry. In this work, we consider a Poisson random matrix with independent entries, and propose a simple procedure termed biwhitening for estimating the rank of the underlying signal matrix (i.e., the Poisson parameter matrix) without any prior knowledge. Our approach is based on the key observation that one can scale the rows and columns of the data matrix simultaneously so that the spectrum of the corresponding noise agrees with the standard Marchenko-Pastur (MP) law, justifying the use of the MP upper edge as a threshold for rank selection. Importantly, the required scaling factors can be estimated directly from the observations by solving a matrix scaling problem via the Sinkhorn-Knopp algorithm. Aside from the Poisson, our approach is extended to families of distributions that satisfy a quadratic relation between the mean and the variance, such as the generalized Poisson, binomial, negative binomial, gamma, and many others. This quadratic relation can also account for missing entries in the data. We conduct numerical experiments that corroborate our theoretical findings, and showcase the advantage of our approach for rank estimation in challenging regimes. Furthermore, we demonstrate the favorable performance of our approach on several real datasets of single-cell RNA sequencing (scRNA-seq), High-Throughput Chromosome Conformation Capture (Hi-C), and document topic *** Codes 62H12, 62H25. Copyright © 2021, The Authors. All rights reserved.

关键词： Random variables

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Sensitivity kernels for inferring Lorentz stresses from normal-mode frequency splittings in the Sun

arXiv

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arXiv 2020年

作者： Das, Srijan Bharati Chakraborty, Tuneer Hanasoge, Shravan M. Tromp, Jeroen Department of Geosciences Princeton University PrincetonNJ United States Department of Astronomy and Astrophysics Tata Institute of Fundamental Research Mumbai India Department of Geosciences and Program in Applied & Computational Mathematics Princeton University Princeton NJ United States

Departures from standard spherically symmetric solar models, in the form of perturbations such as global and local-scale flows and structural asphericities, result in the splitting of eigenfrequencies in the observed spectrum of solar oscillations. Drawing from prevalent ideas in normal-mode coupling theory in geophysical literature, we devise a procedure that enables the computation of sensitivity kernels for general Lorentz stress fields in the Sun. Mode coupling due to any perturbation requires careful consideration of self- and cross-coupling of multiplets. Invoking the isolated-multiplet approximation allows for limiting the treatment to purely self-coupling, requiring significantly less computational resources. We identify the presence of such isolated multiplets under the effect of Lorentz stresses in the Sun. Currently, solar missions allow precise measurements of self-coupling of multiplets via "a-coefficients" and the cross-spectral correlation signal which enables the estimation of the "structure coefficients". We demonstrate the forward problem for both self-coupling (a-coefficients) and cross-coupling (structure coefficients). In doing so, we plot the self-coupling kernels and estimate a-coefficients arising from a combination of deep-toroidal and surface-dipolar axisymmetric fields. We also compute the structure coefficients for an arbitrary general magnetic field (real and solenoidal) and plot the corresponding "splitting function", a convenient way to visualize the splitting of multiplets under 3D internal perturbations. The results discussed in this paper pave the way to formally pose an inverse problem, and infer solar internal magnetic fields. Copyright © 2020, The Authors. All rights reserved.

关键词： Chemical reactions

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Inferring System and Optimal Control Parameters of Closed-Loop Systems from Partial Observations

Inferring System and Optimal Control Parameters of Closed-Lo...

引用

IEEE Conference on Decision and Control

作者： Victor Geadah Juncal Arbelaiz Harrison Ritz Nathaniel D. Daw Jonathan D. Cohen Jonathan W. Pillow Program in Applied and Computational Mathematics Princeton University Princeton NJ USA Department of Mechanical and Aerospace Engineering Princeton University Princeton NJ USA Princeton Neuroscience Institute Princeton University Princeton NJ USA

ISBN: (数字)9798350316339

ISBN: (纸本)9798350316346

We consider the joint problem of system identification and inverse optimal control for discrete-time stochastic Linear Quadratic Regulators. We analyze finite and infinite time horizons in a partially observed setting, where the state is observed noisily. To recover closed-loop system parameters, we develop inference methods based on probabilistic statespace model (SSM) techniques. First, we show that the system parameters exhibit non-identifiability in the infinite-horizon from closed-loop measurements, and we provide exact and numerical methods to disentangle the parameters. Second, to improve parameter identifiability, we show that we can further enhance recovery by either (1) incorporating additional partial measurements of the control signals or (2) moving to the finitehorizon setting. We further illustrate the performance of our methodology through numerical examples.

关键词： Regulators Optimal control Stochastic processes Probabilistic logic System identification Numerical models Closed loop systems

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Steerable ePCA: Rotationally Invariant Exponential Family PCA

arXiv

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arXiv 2018年

作者： Zhao, Zhizhen Liu, Lydia T. Singer, Amit Department of Electrical and Computer Engineering University of Illinois at Urbana-Champaign UrbanaIL61820 United States Department of Electrical Engineering and Computer Sciences University of California at Berkeley BerkeleyCA94720 United States Department of Mathematics Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

—In photon-limited imaging, the pixel intensities are affected by photon count noise. Many applications, such as 3-D reconstruction using correlation analysis in X-ray free electron laser (XFEL) single molecule imaging, require an accurate estimation of the covariance of the underlying 2-D clean images. Accurate estimation of the covariance from low-photon count images must take into account that pixel intensities are Poisson distributed, hence the classical sample covariance estimator is sub-optimal. Moreover, in single molecule imaging, including in-plane rotated copies of all images could further improve the accuracy of covariance estimation. In this paper we introduce an efficient and accurate algorithm for covariance matrix estimation of count noise 2-D images, including their uniform planar rotations and possibly reflections. Our procedure, steerable ePCA, combines in a novel way two recently introduced innovations. The first is a methodology for principal component analysis (PCA) for Poisson distributions, and more generally, exponential family distributions, called ePCA. The second is steerable PCA, a fast and accurate procedure for including all planar rotations for PCA. The resulting principal components are invariant to the rotation and reflection of the input images. We demonstrate the efficiency and accuracy of steerable ePCA in numerical experiments involving simulated XFEL datasets and rotated Yale B face data. Copyright © 2018, The Authors. All rights reserved.

关键词： Principal component analysis

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On multilevel Picard numerical approximations for high-dimensional nonlinear parabolic partial differential equations and high-dimensional nonlinear backward stochastic differential equations

arXiv

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arXiv 2017年

作者： Weinan, E. Hutzenthaler, Martin Jentzen, Arnulf Kruse, Thomas Department of Mathematics and Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544-1000 United States BICMR and School of Mathematical Sciences Peking University Beijing100870 China Faculty of Mathematics University of Duisburg-Essen Essen45117 Germany Seminar für Angewandte Mathematik ETH Zurich Zürich8092 Switzerland

Parabolic partial differential equations (PDEs) and backward stochastic differential equations (BSDEs) are key ingredients in a number of models in physics and financial engineering. In particular, parabolic PDEs and BSDEs are fundamental tools in the state-of-the-art pricing and hedging of financial derivatives. The PDEs and BSDEs appearing in such applications are often high-dimensional and nonlinear. Since explicit solutions of such PDEs and BSDEs are typically not available, it is a very active topic of research to solve such PDEs and BSDEs approximately. In the recent article [E, W., Hutzenthaler, M., Jentzen, A., & Kruse, T. Linear scaling algorithms for solving high-dimensional nonlinear parabolic differential equations. arXiv:1607.03295 (2017)] we proposed a family of approximation methods based on Picard approximations and multilevel Monte Carlo methods and showed under suitable regularity assumptions on the exact solution for semilinear heat equations that the computational complexity is bounded by O(d ϵ-(4+δ)) for any δ 2 (0,∞), where d is the dimensionality of the problem and ϵ ∈ (0,∞) is the prescribed accuracy. In this paper, we test the applicability of this algorithm on a variety of 100-dimensional nonlinear PDEs that arise in physics and finance by means of numerical simulations presenting approximation accuracy against runtime. The simulation results for these 100-dimensional example PDEs are very satisfactory in terms of accuracy and speed. In addition, we also provide a review of other approximation methods for nonlinear PDEs and BSDEs from the literature. Copyright © 2017, The Authors. All rights reserved.

关键词： Monte Carlo methods

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AMUSE: Empowering Users for Cost-Aware Offloading with Throughput-Delay Tradeoffs

AMUSE: Empowering Users for Cost-Aware Offloading with Throu...

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IEEE INFOCOM Conference

作者： Youngbin Im Carlee Joe-Wong Sangtae Ha Soumya Sen Ted "Taekyoung" Kwon Mung Chiang School of Computer Science and Engineering Seoul National University Seoul Korea Program in Applied and Computational Mathematics Princeton University Princeton NJ USA Department of Electrical Engineering Princeton University Princeton NJ USA

ISBN: (纸本)9781467359443

Mobile users face a tradeoff between cost, through-put, and delay in making their offloading decisions. To navigate this tradeoff, we propose AMUSE (Adaptive bandwidth Management through USer-Empowerment), a practical, cost-aware WiFi offloading system that takes into account a user's throughput-delay tradeoffs and cellular budget constraint. Based on predicted future usage and WiFi availability, AMUSE decides which applications to offload to what times of the day. To practically enforce the assigned rate of each TCP application, we introduce a receiver-side TCP bandwidth control algorithm that adjusts the rate by controlling the TCP advertisement window from the user side. We implement AMUSE on Windows 7 tablets and evaluate its effectiveness with 3G and WiFi usage data obtained from a trial with 25 mobile users. Our results show that AMUSE improves user utility.

关键词： tradeoffs UNLOADING Wi-Fi third generation rate control

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