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Generating large disordered stealthy hyperuniform systems with ultra-high accuracy to determine their physical properties

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arXiv 2023年

作者： Morse, Peter K. Kim, Jaeuk Steinhardt, Paul J. Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Institute of Materials Princeton University PrincetonNJ08544 United States Princeton Center for Theoretical Science Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Hyperuniform many-particle systems are characterized by a structure factor S(k) that is precisely zero as |k| → 0;and stealthy hyperuniform systems have S(k) = 0 for the finite range 0 30 for systems sizes more than an order of magnitude larger. We further show that this ultra-high accuracy is required to draw conclusions about their corresponding characteristics, such as the nature of the associated energy landscape and the presence or absence of Anderson localization, which might be masked, even when deviations are relatively small. © 2023, CC BY.

关键词： Physical properties

Precise Determination of Pair Interactions from Pair Statistics of Many-Body Systems In and Out of Equilibrium

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arXiv 2022年

作者： Torquato, Salvatore Wang, Haina Department of Chemistry Department of Physics Princeton Institute of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States School of Natural Sciences Institute for Advanced Study 1 Einstein Drive PrincetonNJ08540 United States Department of Chemistry Princeton University PrincetonNJ08544 United States

The determination of the pair potential v(r) that accurately yields an equilibrium state at positive temperature T with a prescribed pair correlation function g2(r) or corresponding structure factor S(k) in d-dimensional Euclidean space Rd is an outstanding inverse statistical mechanics problem with far-reaching implications. Recently, Zhang and Torquato conjectured that any realizable g2(r) or S(k) corresponding to a translationally invariant nonequilibrium system can be attained by a classical equilibrium ensemble involving only (up to) effective pair interactions. Testing this conjecture for nonequilibrium systems as well as for nontrivial equilibrium states requires improved inverse methodologies. We have devised a novel optimization algorithm to find effective pair potentials that correspond to pair statistics of general translationally invariant disordered many-body equilibrium or nonequilibrium systems at positive temperatures. This methodology utilizes a parameterized family of pointwise basis functions for the potential function whose initial form is informed by small- and large-distance behaviors dictated by statistical-mechanical theory. Subsequently, a nonlinear optimization technique is utilized to minimize an objective function that incorporates both the target pair correlation function g2(r) and structure factor S(k) so that the small- and large-distance correlations are very accurately captured. To illustrate the versatility and power of our methodology, we accurately determine the effective pair interactions of the following four diverse target systems: (1) Lennard-Jones system in the vicinity of its critical point;(2) liquid under the Dzugutov potential;(3) nonequilibrium random sequential addition packing;and (4) and a nonequilibrium hyperuniform "cloaked" uniformly randomized lattice (URL). We found that the optimized pair potentials generate corresponding pair statistics that accurately match their corresponding targets with total L2-norm errors

关键词： Statistics

Representation formulas and pointwise properties for Barron functions

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arXiv 2020年

作者： Weinan, E. Wojtowytsch, Stephan Department of Mathematics Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Princeton University Program in Applied and Computational Mathematics 205 Fine Hall - Washington Road PrincetonNJ08544 United States

We study the natural function space for infinitely wide two-layer neural networks with ReLU activation (Barron space) and establish different representation formulae. In two cases, we describe the space explicitly up to isomorphism. Using a convenient representation, we study the pointwise properties of two-layer networks and show that functions whose singular set is fractal or curved (for example distance functions from smooth submanifolds) cannot be represented by infinitely wide two-layer networks with finite path-norm. We use this structure theorem to show that the only C1-diffeomorphisms which Barron space are affine. Furthermore, we show that every Barron function can be decomposed as the sum of a bounded and a positively one-homogeneous function and that there exist Barron functions which decay rapidly at infinity and are globally Lebesgue-integrable. This result suggests that two-layer neural networks may be able to approximate a greater variety of functions than commonly *** Codes 68T07, 46E15, 26B35, 26B40 Copyright © 2020, The Authors. All rights reserved.

关键词： Network layers

INVERSE PROBLEMS ON LOW-DIMENSIONAL MANIFOLDS

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arXiv 2020年

作者： Alberti, Giovanni S. Arroyo, Ángel Santacesaria, Matteo Department of Mathematics University of Genoa Via Dodecaneso 35 Genova16146 Italy Interdisciplinary Mathematics Institute Department of Applied Mathematics and Mathematical Analysis Universidad Complutense de Madrid Madrid28040 Spain

We consider abstract inverse problems between infinite-dimensional Banach spaces. These inverse problems are typically nonlinear and ill-posed, making the inversion with limited and noisy measurements a delicate process. In this work, we assume that the unknown belongs to a finite-dimensional manifold: this assumption arises in many real-world scenarios where natural objects have a low intrinsic dimension and belong to a certain submanifold of a much larger ambient space. We prove uniqueness and Hölder and Lipschitz stability results in this general setting, also in the case when only a finite discretization of the measurements is available. Then, a Landweber-type reconstruction algorithm from a finite number of measurements is proposed, for which we prove global convergence, thanks to a new criterion for finding a suitable initial guess. These general results are then applied to several examples, including two classical nonlinear ill-posed inverse boundary value problems. The first is Calderón's inverse conductivity problem, for which we prove a Lipschitz stability estimate from a finite number of measurements for piece-wise constant conductivities with discontinuities on an unknown triangle. A similar stability result is then obtained for Gel'fand-Calderón's problem for the Schrödinger equation, in the case of piece-wise constant potentials with discontinuities on a finite number of non-intersecting *** Codes 35R30, 58C25 Copyright © 2020, The Authors. All rights reserved.

关键词： Inverse problems

Leaky-wave metasurfaces for integrated photonics

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arXiv 2022年

作者： Huang, Heqing Overvig, Adam C. Xu, Yuan Malek, Stephanie C. Tsai, Cheng-Chia Alù, Andrea Yu, Nanfang Department of Applied Physics and Applied Mathematics Columbia University New YorkNY10027 United States Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States Physics Program Graduate Center of the City University of New York New YorkNY10016 United States

Metasurfaces have been rapidly advancing our command over the many degrees of freedom of light within compact, lightweight devices. However, so far, they have mostly been limited to manipulating light in free space. Grating couplers provide the opportunity of bridging far-field optical radiation and in-plane guided waves, and thus have become fundamental building blocks in photonic integrated circuits. However, their operation and degree of light control is much more limited than metasurfaces. Metasurfaces integrated on top of guided wave photonic systems have been explored to control the scattering of light off-chip with enhanced functionalities – namely, point-by-point manipulation of amplitude, phase or polarization. However, these efforts have so far been limited to controlling one or two optical degrees of freedom at best, and to device configurations much more complex compared to conventional grating couplers. Here, we introduce leaky-wave metasurfaces, which are based on symmetry-broken photonic crystal slabs that support quasi-bound states in the continuum. This platform has a compact form factor equivalent to the one of conventional grating couplers, but it provides full command over amplitude, phase and polarization (four optical degrees of freedom) across large apertures. We present experimental demonstrations of various functionalities for operation at λ = 1.55 μm based on leaky-wave metasurfaces, including devices for phase and amplitude control at a fixed polarization state, and devices controlling all four optical degrees of freedom. Our results merge the fields of guided and free-space optics under the umbrella of metasurfaces, exploiting the hybrid nature of quasi-bound states in the continuum, for opportunities to advance in disruptive ways imaging, communications, augmented reality, quantum optics, LIDAR and integrated photonic systems. © 2022, CC BY.

关键词： Guided electromagnetic wave propagation

The Jacobi theta distribution

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arXiv 2021年

作者： Bastian, Caleb Deen Rempala, Grzegorz A. Rabitz, Herschel Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Division of Biostatistics The Ohio State University ColumbusOH United States Department of Mathematics The Ohio State University ColumbusOH United States Department of Chemistry Princeton University PrincetonNJ United States

We form the Jacobi theta distribution through discrete integration of exponential random variables over an infinite inverse square law surface. It is continuous, supported on the positive reals, has a single positive parameter, is unimodal, positively skewed, and leptokurtic. Its cumulative distribution and density functions are expressed in terms of the Jacobi theta function. We describe asymptotic and log-normal approximations, inference, and a few applications of such distributions to *** Codes 60E05, 60G57 © 2021, CC BY.

关键词： Laplace transforms

A NEW CLASS OF DISTANCES ON COMPLEX PROJECTIVE SPACES

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arXiv 2023年

作者： Bistron, Rafal Eckstein, Michal Friedland, Shmuel Miller, Tomasz Życzkowski, Karol Institute of Theoretical Physics Faculty of Physics Astronomy and Applied Computer Science Jagiellonian University Krakow Poland Doctoral School of Exact and Natural Sciences Jagiellonian University Poland Department of Mathematics Statistics and Computer Science University of Illinois at Chicago ChicagoIL60607-7045 United States Copernicus Center for Interdisciplinary Studies Jagiellonian University Krakow Poland Center for Theoretical Physics Polish Academy of Science Warsaw Poland

The complex projective space (ℂn) can be interpreted as the space of all quantum pure states of size n. A distance on this space, interesting from the perspective of quantum physics, can be induced from a classical distance defined on the n-point probability simplex by the 'earth mover problem'. We show that this construction leads to a quantity satisfying the triangle inequality, which yields a true distance on complex projective space belonging to the family of quantum 2-Wasserstein distances. © 2023, CC BY.

关键词： Earth (planet)

Surrogate approximation of the grad-shafranov free boundary problem via stochastic collocation on sparse grids

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arXiv 2021年

作者： Elman, Howard C. Liang, Jiaxing Sánchez-Vizuet, Tonatiuh Department of Computer Science Institute for Advanced Computer Studies University of Maryland College Park United States Applied Mathematics & Statistics and Scientific Computing Program University of Maryland College Park United States Courant Institute of Mathematical Sciences New York University Department of Mathematics The University of Arizona

In magnetic confinement fusion devices, the equilibrium configuration of a plasma is determined by the balance between the hydrostatic pressure in the fluid and the magnetic forces generated by an array of external coils and the plasma itself. The location of the plasma is not known a priori and must be obtained as the solution to a free boundary problem. The partial differential equation that determines the behavior of the combined magnetic field depends on a set of physical parameters (location of the coils, intensity of the electric currents going through them, magnetic permeability, etc.) that are subject to uncertainty and variability. The confinement region is in turn a function of these stochastic parameters as well. In this work, we consider variations on the current intensities running through the external coils as the dominant source of uncertainty. This leads to a parameter space of dimension equal to the number of coils in the reactor. With the aid of a surrogate function built on a sparse grid in parameter space, a Monte Carlo strategy is used to explore the effect that stochasticity in the parameters has on important features of the plasma boundary such as the location of the x-point, the strike points, and shaping attributes such as triangularity and elongation. The use of the surrogate function reduces the time required for the Monte Carlo simulations by factors that range between 7 and over *** Codes 65C30, 65C05, 65N35, 65N99, 65Z05 Copyright © 2021, The Authors. All rights reserved.

关键词： Monte Carlo methods

Simulated Diffusion Spreadability for Characterizing the Structure and Transport Properties of Two-Phase Materials

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SSRN

SSRN 2023年

作者： Skolnick, Murray Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Institute of Materials Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States School of Natural Sciences The Institute for Advanced Study PrincetonNJ08540 United States

Time-dependent diffusion processes between phases are ubiquitous in physical, chemical, and biological materials. Examples of such materials include composite materials, porous materials, cellular solids, polymer blends, colloids, gels, and biological materials. The recently developeddiffusion spreadability, S(t), provides a direct link between time-dependent interphase diffusive transport and the microstructure of two-phase materials across length scales [Torquato, S., Phys. Rev. E., 104 054102 (2021)];thus making S(t) a powerful dynamic means for classifying all statistically homogeneous microstructures, spanning from anti-hyperuniform to hyperuniform. It was shown that the small-, intermediate-, and long-time behaviors of S(t) are directly determined by the small-, intermediate-, and large-scale structural features of the material. Moreover, the spreadability can be applied as a physical-property based tool for microstructural characterization in the absence of or as supplement to scattering information. In this work, we develop a computationally efficient algorithm for ascertaining s(t) directly from digitized representations of material microstructures via random-walk techniques. Our algorithm computes the time-dependent local walker concentration field c(x, t), a quantity not previously examined in the context of the spreadability, enabling us to compute the entropy production rate s(t) of the associated diffusion process which is a quantity related to the rate of dissipation. We also derive exact analytical expressions for s(t), and find that hyperuniform materials have smaller dissipation than any nonhyperuniform materials. Lastly, we use our algorithm to compute, for the first time, the more general case of the spreadability in which the phase diffusion coefficients are distinct and provide a method for extracting the effective diffusion coefficient of the two-phase material from such data. We apply our algorithm to a variety of two- and three-dimensional s

关键词： Microstructure