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Discovery of Partial Differential Equations from Highly Noisy and Sparse Data with physics-Informed Information Criterion

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Research 2024年第1期2023卷 247-259页

作者： Hao Xu Junsheng Zeng Dongxiao Zhang BIC-ESAT EREand SKLTCSCollege of EngineeringPeking UniversityBeijing 100871P.R.China Institute of Applied Physics and Computational Mathematics Beijing 100088P.R.China Eastern Institute for Advanced Study Eastern Institute of TechnologyNingbo 315200ZhejiangP.R.China National Center for Applied Mathematics Shenzhen(NCAMS) Southern University of Science and TechnologyShenzhen 518055GuangdongP.R.China Department of Mathematics and Theories Peng Cheng LaboratoryShenzhen 518000GuangdongP.R.China

Data-driven discovery of partial differential equations(PDEs)has recently made tremendous progress,and many canonical PDEs have been discovered successfully for proof of ***,determining the most proper PDE without prior references remains challenging in terms of practical *** this work,a physics-informed information criterion(PIC)is proposed to measure the parsimony and precision of the discovered PDE *** proposed PIC achieves satisfactory robustness to highly noisy and sparse data on 7 canonical PDEs from different physical scenes,which confirms its ability to handle difficult *** PIC is also employed to discover unrevealed macroscale governing equations from microscopic simulation data in an actual physical *** results show that the discovered macroscale PDE is precise and parsimonious and satisfies underlying symmetries,which facilitates understanding and simulation of the physical *** proposition of the PIC enables practical applications of PDE discovery in discovering unrevealed governing equations in broader physical scenes.

关键词： process canonical proof

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From point patterns to networks: to what extent does the Delaunay triangulation reproduce key spatial and density information?

arXiv

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arXiv 2025年

作者： Newby, Eli Shi, Wenlong Jiao, Yang Torquato, Salvatore Albert, Réka Department of Physics Pennsylvania State University University ParkPA16802 United States Department of Cardiovascular and Metabolic Sciences Lerner Research Institute Cleveland Clinic ClevelandOH44195 United States Arizona State University TempeAZ85287 United States 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 Department of Biology Pennsylvania State University University ParkPA16802 United States

To be used as an analysis tool, it is important that a spatial network’s construction algorithm reproduces the structural properties of the original physical embedding. One method for converting a two-dimensional (2D) point pattern into a spatial network is the Delaunay triangulation. Here, we apply the Delaunay triangulation to seven different types of 2D point patterns, including hyperuniform systems. The latter are characterized by completely suppressed normalized infinite-wavelength density fluctuations. We demonstrate that the quartile coefficients of dispersion of multiple centrality measures are capable of rank-ordering hyperuniform and nonhyperuniform systems independently, but they cannot distinguish a system that is nearly hyperuniform from hyperuniform systems. Thus, in each system, we investigate the local densities of the point pattern ρP (ri;) and of the network ρG(ni;). We reveal that there is a strong correlation between ρP (ri;) and ρG(ni;) in nonhyperuniform systems, but there is no such correlation in hyperuniform systems. When calculating the pair-correlation function and local density covariance function on the point pattern and network, the point pattern and network functions are similar only in nonhyperuniform systems. In hyperuniform systems, the triangulation has a positive covariance of local network densities in pairs of nodes that are close together;such covariance is not present in the point patterns. Thus, we demonstrate that the Delaunay triangulation accurately captures the density fluctuations of the underlying point pattern only when the point pattern possesses a positive correlation between ρP (ri;) for points that are close together. Such positive correlation is seen in most real-world systems, so the Delaunay triangulation is generally an effective tool for building a spatial network from a 2D point pattern, but there are situations (i.e., disordered hyperuniform systems) where we caution that the Delaunay triangulation would not

关键词： Triangulation

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Reducing Stress Level Cases of Hypogalactia Using Electric and Massage Stimulation Models 4

Reducing Stress Level Cases of Hypogalactia Using Electric a...

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4th International Conference on Energy, Environment, Epidemiology and Information System, ICENIS 2019

作者： Maula, Sheyla Najwatul Widyawati, Melyana Nurul Suryono, Suryono Post Graduate Applied Science Midwifery Program Poltekkes Kemenkes Semarang Indonesia Physics Department Faculty of Mathematics and Natural Sciences Diponegoro University Semarang Indonesia

Postpartum stress is very likely to take place as there are fluctuations in terms of feelings, pressure, anxiety, and guilt that may result in hypogalactia without proper treatment. Hypogalactia itself is an issue breastfeeding mothers face that may stall toddlers' growth, and hence, the future of a nation. This research aims to lower stress levels in hypogalactia cases. It employs nor pharmacological methods of electric and massage stimulation models to activate the biomechanical, psychological, and neurological systems within the body. The electric stimulation model was performed for 10 minutes in acupoints SI, ST, and SP at 0.5 watts frequency. Meanwhile, the massage stimulation was performed for 30 minutes in acupoints GB, BL, ST, CV, and ST. Samples were divided into intervention and control groups, both characteristics and difference tests were performed. Paired t-test results show that there is a significant difference (p © The Authors, published by EDP Sciences, 2019.

关键词： Electrophysiology

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Densest local sphere-packing diversity. II. Application to three dimensions

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Physical Review E 2011年第1期83卷 011304-011304页

作者： Adam B. Hopkins Frank H. Stillinger Salvatore Torquato Department of Chemistry and Department of Physics Princeton Center for Theoretical Science Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

The densest local packings of N three-dimensional identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained for selected values of N up to N=1054. In the predecessor to this paper [A. B. Hopkins, F. H. Stillinger, and S. Torquato, Phys. Rev. E 81, 041305 (2010)], we described our method for finding the putative densest packings of N spheres in d-dimensional Euclidean space Rd and presented those packings in R2 for values of N up to N=348. Here we analyze the properties and characteristics of the densest local packings in R3 and employ knowledge of the Rmin(N), using methods applicable in any d, to construct both a realizability condition for pair correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings. In R3, we find wide variability in the densest local packings, including a multitude of packing symmetries such as perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest local packings of N spheres near a central sphere to minimal-energy configurations of N+1 points interacting with short-range repulsive and long-range attractive pair potentials, e.g., 12–6 Lennard-Jones, and find that they are in general completely different, a result that has possible implications for nucleation theory. We also compare the densest local packings to finite subsets of stacking variants of the densest infinite packings in R3 (the Barlow packings) and find that the densest local packings are almost always most similar as measured by a similarity metric, to the subsets of Barlow packings with the smallest number of coordination shells measured about a single central sphere, e.g., a subset of the fcc Barlow packing. Additionally, we observe that the densest local packings are dominated by the dense arrangement of spheres with centers at distance Rmin(N). In particular, we find two “maracas” packings at N=77 and N=93, each consisting of a few unjammed sphere

关键词： DENSITY functionals SPHERES MATHEMATICAL models EUCLIDEAN metric CORRELATION (Statistics) SYMMETRY

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Disordered strictly jammed binary sphere packings attain an anomalously large range of densities

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Physical Review E 2013年第2期88卷 022205-022205页

作者： Adam B. Hopkins Frank H. Stillinger Salvatore Torquato Department of Chemistry Princeton Institute for the Science and Technology of Materials Department of Physics Princeton Center for Theoretical Science Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Previous attempts to simulate disordered binary sphere packings have been limited in producing mechanically stable, isostatic packings across a broad spectrum of packing fractions. Here we report that disordered strictly jammed binary packings (packings that remain mechanically stable under general shear deformations and compressions) can be produced with an anomalously large range of average packing fractions 0.634≤ϕ≤0.829 for small to large sphere radius ratios α restricted to α≥0.100. Surprisingly, this range of average packing fractions is obtained for packings containing a subset of spheres (called the backbone) that are exactly strictly jammed, exactly isostatic, and also generated from random initial conditions. Additionally, the average packing fractions of these packings at certain α and small sphere relative number concentrations x approach those of the corresponding densest known ordered packings. These findings suggest for entropic reasons that these high-density disordered packings should be good glass formers and that they may be easy to prepare experimentally. We also identify an unusual feature of the packing fraction of jammed backbones (packings with rattlers excluded). The backbone packing fraction is about 0.624 over the majority of the α-x plane, even when large numbers of small spheres are present in the backbone. Over the (relatively small) area of the α-x plane where the backbone is not roughly constant, we find that backbone packing fractions range from about 0.606 to 0.829, with the volume of rattler spheres comprising between 1.6% and 26.9% of total sphere volume. To generate isostatic strictly jammed packings, we use an implementation of the Torquato-Jiao sequential linear programming algorithm [Phys. Rev. E 82, 061302 (2010)], which is an efficient producer of inherent structures (mechanically stable configurations at the local maxima in the density landscape). The identification and explicit construction of binary packings with such hig

关键词： PACKING fractions SHEAR (Mechanics) ALGORITHMS SOLID propellants CONCRETE CERAMICS

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Geometrical ambiguity of pair statistics. II. Heterogeneous media

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Physical Review E 2010年第1期82卷 011106-011106页

作者： Yang Jiao Frank H. Stillinger Salvatore Torquato Department of Chemistry and Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics and Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA

In the first part of this series of two papers [Y. Jiao, F. H. Stillinger, and S. Torquato, Phys. Rev. E 81, 011105 (2010)], we considered the geometrical ambiguity of pair statistics associated with point configurations. Here we focus on the analogous problem for heterogeneous media (materials). Heterogeneous media are ubiquitous in a host of contexts, including composites and granular media, biological tissues, ecological patterns, and astrophysical structures. The complex structures of heterogeneous media are usually characterized via statistical descriptors, such as the n-point correlation function Sn. An intricate inverse problem of practical importance is to what extent a medium can be reconstructed from the two-point correlation function S2 of a target medium. Recently, general claims of the uniqueness of reconstructions using S2 have been made based on numerical studies, which implies that S2 suffices to uniquely determine the structure of a medium within certain numerical accuracy. In this paper, we provide a systematic approach to characterize the geometrical ambiguity of S2 for both continuous two-phase heterogeneous media and their digitized representations in a mathematically precise way. In particular, we derive the exact conditions for the case where two distinct media possess identical S2, i.e., they form a degenerate pair. The degeneracy conditions are given in terms of integral and algebraic equations for continuous media and their digitized representations, respectively. By examining these equations and constructing their rigorous solutions for specific examples, we conclusively show that in general S2 is indeed not sufficient information to uniquely determine the structure of the medium, which is consistent with the results of our recent study on heterogeneous-media reconstruction [Y. Jiao, F. H. Stillinger, and S. Torquato, Proc. Natl. Acad. Sci. U.S.A. 106, 17634 (2009)]. The analytical examples include complex patterns composed of building blo

关键词： Inverse problems

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Influence of Au segregation on the magnetic anisotropy of Fe/Cu 3Au(0 0 1)

Influence of Au segregation on the magnetic anisotropy of Fe...

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作者： Gallego, S. Szunyogh, L. Muńoz, M.C. Weinberger, P. 28049 Cantoblanco Madrid Spain Department of Theoretical Physics and Center for Applied Mathematics and Computational Physics Budapest University of Technology and Economics Budafokiút. 8 Budapest 1521 Hungary Center for Computational Materials Science TU Vienna Getreidemarkt 9/134 A-1060 Vienna Austria

We present a first-principles study of the magnetic anisotropy of ultrathin Fe films on Cu3Au (0 0 1), to investigate the origin of the magnetic reorientation transition observed experimentally. Our results indicate a crucial role of the segregation of Au to the topmost surface at very low Fe thicknesses. © 2003 Elsevier B.V. All rights reserved.

关键词： Magnetic anisotropy

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Organizing principles for dense packings of nonspherical hard particles: Not all shapes are created equal

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Physical Review E 2012年第1期86卷 011102-011102页

作者： Salvatore Torquato Yang Jiao []Department of Chemistry Department of Physics Princeton Center for Theoretical Science Program of Applied and Computational Mathematics Princeton Institute of the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids and certain smoothly shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. E 81, 041310 (2010)]. Here we generalize them in order to guide one to ascertain the densest packings of other convex nonspherical particles as well as concave shapes. Our generalized organizing principles are explicitly stated as four distinct propositions. All of our organizing principles are applied to and tested against the most comprehensive set of both convex and concave particle shapes examined to date, including Catalan solids, prisms, antiprisms, cylinders, dimers of spheres, and various concave polyhedra. We demonstrate that all of the densest known packings associated with this wide spectrum of nonspherical particles are consistent with our propositions. Among other applications, our general organizing principles enable us to construct analytically the densest known packings of certain convex nonspherical particles, including spherocylinders, “lens-shaped” particles, square pyramids, and rhombic pyramids. Moreover, we show how to apply these principles to infer the high-density equilibrium crystalline phases of hard convex and concave particles. We also discuss the unique packing attributes of maximally random jammed packings of nonspherical particles.

关键词： PARTICLES (Nuclear physics) PACKINGS (Chromatography) CONCAVE functions CATALANS POLYHEDRA

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Densest binary sphere packings

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Physical Review E 2012年第2期85卷 021130-021130页

作者： Adam B. Hopkins Frank H. Stillinger Salvatore Torquato Department of Chemistry Department of Physics Princeton Center for Theoretical Science Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

The densest binary sphere packings in the α-x plane of small to large sphere radius ratio α and small sphere relative concentration x have historically been very difficult to determine. Previous research had led to the prediction that these packings were composed of a few known “alloy” phases including, for example, the AlB2 (hexagonal ω), HgBr2, and AuTe2 structures, and to XYn structures composed of close-packed large spheres with small spheres (in a number ratio of n to 1) in the interstices, e.g., the NaCl packing for n=1. However, utilizing an implementation of the Torquato-Jiao sphere-packing algorithm [Torquato and Jiao, Phys. Rev. E 82, 061302 (2010)], we have discovered that many more structures appear in the densest packings. For example, while all previously known densest structures were composed of spheres in small to large number ratios of one to one, two to one, and very recently three to one, we have identified densest structures with number ratios of seven to three and five to two. In a recent work [Hopkins et al., Phys. Rev. Lett. 107, 125501 (2011)], we summarized these findings. In this work, we present the structures of the densest-known packings and provide details about their characteristics. Our findings demonstrate that a broad array of different densest mechanically stable structures consisting of only two types of components can form without any consideration of attractive or anisotropic interactions. In addition, the structures that we have identified may correspond to currently unidentified stable phases of certain binary atomic and molecular systems, particularly at high temperatures and pressures.

关键词： SPHERE packings RADIUS (Geometry) PHASE transformations (physics) ALGORITHMS TEMPERATURE effect ANISOTROPY PRESSURE

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Hyperuniformity and its generalizations

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Physical Review E 2016年第2期94卷 022122-022122页

作者： Salvatore Torquato Department of Chemistry Department of Physics Princeton Center for Theoretical Science Program of Applied and Computational Mathematics Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

Disordered many-particle hyperuniform systems are exotic amorphous states of matter that lie between crystal and liquid: They are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These exotic states of matter play a vital role in a number of problems across the physical, mathematical as well as biological sciences and, because they are endowed with novel physical properties, have technological importance. Given the fundamental as well as practical importance of disordered hyperuniform systems elucidated thus far, it is natural to explore the generalizations of the hyperuniformity notion and its consequences. In this paper, we substantially broaden the hyperuniformity concept along four different directions. This includes generalizations to treat fluctuations in the interfacial area (one of the Minkowski functionals) in heterogeneous media and surface-area driven evolving microstructures, random scalar fields, divergence-free random vector fields, and statistically anisotropic many-particle systems and two-phase media. In all cases, the relevant mathematical underpinnings are formulated and illustrative calculations are provided. Interfacial-area fluctuations play a major role in characterizing the microstructure of two-phase systems (e.g., fluid-saturated porous media), physical properties that intimately depend on the geometry of the interface, and evolving two-phase microstructures that depend on interfacial energies (e.g., spinodal decomposition). In the instances of random vector fields and statistically anisotropic structures, we show that the standard definition of hyperuniformity must be generalized such that it accounts for the dependence of the relevant spectral functions on the direction in which the origin in Fourier space is approached (nonanalyticities at the origin). Using this analysis, we place some well-known energy spectr

关键词： Amorphous materials Glasses

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