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At least 127 records · Page 7

Areal interpolation of population in the USA using a combination of national parcel data and a national building outline layer

We build on the recent literature on the use of parcel data in areal interpolation of population by incorporating high resolution building outline data. Our results show that models that constrain the operating footprint of the areal interpolation not just to parcel boundaries but the outlines of the buildings themselves have the potential to further reduce the areal interpolation error beyond what has already been demonstrated in previous literature. We also demonstrate that these principles apply not just to residential populations but to worker populations as well.

99 GENERAL AND MISCELLANEOUS↗

High-Dimensional Intrinsic Interpolation Using Gaussian Process Regression and Diffusion Maps

This article considers the challenging task of estimating geologic properties of interest using a suite of proxy measurements. The current work recast this task as a manifold learning problem. In this process, this article introduces a novel regression procedure for intrinsic variables constrained onto a manifold embedded in an ambient space. The procedure is meant to sharpen high-dimensional interpolation by inferring non-linear correlations from the data being interpolated. The proposed approach augments manifold learning procedures with a Gaussian process regression. It first identifies, using diffusion maps, a low-dimensional manifold embedded in an ambient high-dimensional space associated with the data. It relies on the diffusion distance associated with this construction to define a distance function with which the data model is equipped. This distance metric function is then used to compute the correlation structure of a Gaussian process that describes the statistical dependence of quantities of interest in the high-dimensional ambient space. The proposed method is applicable to arbitrarily high-dimensional data sets. Here, it is applied to subsurface characterization using a suite of well log measurements. The predictions obtained in original, principal component, and diffusion space are compared using both qualitative and quantitative metrics. Considerable improvement in the prediction of the geological structural properties is observed with the proposed method.

58 GEOSCIENCES↗

Scientific data interpolation with low dimensional manifold model

Here, we propose to apply a low dimensional manifold model to scientific data interpolation from regular and irregular samplings with a significant amount of missing information. The low dimensionality of the patch manifold for general scientific data sets has been used as a regularizer in a variational formulation. The problem is solved via alternating minimization with respect to the manifold and the data set, and the Laplace–Beltrami operator in the Euler–Lagrange equation is discretized using the weighted graph Laplacian. Various scientific data sets from different fields of study are used to illustrate the performance of the proposed algorithm on data compression and interpolation from both regular and irregular samplings.

97 MATHEMATICS AND COMPUTING↗

Interpolation of computed gamma-ray detector response functions

Gamma-ray spectra measured by traditional detectors contain features that result from a combination of the effects of detector materials/geometry, the incident gamma-ray energy, and the angle of entry. The features, such as the full-energy photopeak, Compton continuum, annihilation peak, and escape peaks, are governed by simple relationships depending on incident energy and have been known for a long time. Monte Carlo computer simulations of gamma rays interacting with a detector will show these features, and with a resolution function applied, the results should look similar to real measurements. The traditional approach to creating a detector response function requires many separate simulations of monoenergetic gamma rays striking the detector. This paper presents a new approach to developing computed detector response functions. The new approach involves a much smaller number of monoenergetic gamma-ray simulations and uses interpolation to quickly generate the responses of gamma rays that were not simulated. During the interpolation process, the underlying physics equations are used to accurately compute the response of a given energy gamma ray from the small set of simulations. Such work enables accelerated generation of synthetic radiation detector data.

Detector response↗

Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach

Electron-phonon couplings and charge transport properties of α- and γ-graphyne nanosheets were investigated from first-principles calculations by using the density-functional perturbation theory and the Boltzmann transport equation. Wannier function-based interpolation techniques were applied to obtain the ultra-dense electron-phonon coupling matrix elements. Due to the localization feature in Wannier space, the interpolation based on truncated space is found to be accurate. We demonstrated that the intrinsic electron-phonon scatterings in these two-dimensional carbon materials are dominated by low-energy longitudinal-acoustic phonon scatterings over a wide range of temperatures. In contrast, the high-frequency optical phonons play appreciable roles only at high temperature regimes. The electron mobilities of α- and γ-graphynes are predicted to be ∼10{sup 4} cm{sup 2} V{sup −1} s{sup −1} at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On piecewise interpolation techniques for estimating solar radiation missing values in Kedah

This paper discusses the use of piecewise interpolation method based on cubic Ball and Bézier curves representation to estimate the missing value of solar radiation in Kedah. An hourly solar radiation dataset is collected at Alor Setar Meteorology Station that is taken from Malaysian Meteorology Deparment. The piecewise cubic Ball and Bézier functions that interpolate the data points are defined on each hourly intervals of solar radiation measurement and is obtained by prescribing first order derivatives at the starts and ends of the intervals. We compare the performance of our proposed method with existing methods using Root Mean Squared Error (RMSE) and Coefficient of Detemination (CoD) which is based on missing values simulation datasets. The results show that our method is outperformed the other previous methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Using multi-dimensional Smolyak interpolation to make a sum-of-products potential

We propose a new method for obtaining potential energy surfaces in sum-of-products (SOP) form. If the number of terms is small enough, a SOP potential surface significantly reduces the cost of quantum dynamics calculations by obviating the need to do multidimensional integrals by quadrature. The method is based on a Smolyak interpolation technique and uses polynomial-like or spectral basis functions and 1D Lagrange-type functions. When written in terms of the basis functions from which the Lagrange-type functions are built, the Smolyak interpolant has only a modest number of terms. The ideas are tested for HONO (nitrous acid)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An adaptive interpolation scheme for molecular potential energy surfaces

The calculation of potential energy surfaces for quantum dynamics can be a time consuming task—especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm based on polyharmonic splines combined with a partition of unity approach. The adaptive node refinement allows to greatly reduce the number of sample points by employing a local error estimate. The algorithm and its scaling behavior are evaluated for a model function in 2, 3, and 4 dimensions. The developed algorithm allows for a more rapid and reliable interpolation of a potential energy surface within a given accuracy compared to the non-adaptive version.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CONORBIT: constrained optimization by radial basis function interpolation in trust regions

Here, this paper presents CONORBIT (CONstrained Optimization by Radial Basis function Interpolation in Trust regions), a derivative-free algorithm for constrained black-box optimization where the objective and constraint functions are computationally expensive. CONORBIT employs a trust-region framework that uses interpolating radial basis function (RBF) models for the objective and constraint functions, and is an extension of the ORBIT algorithm. It uses a small margin for the RBF constraint models to facilitate the generation of feasible iterates, and extensive numerical tests confirm that such a margin is helpful in improving performance. CONORBIT is compared with other algorithms on 27 test problems, a chemical process optimization problem, and an automotive application. Numerical results show that CONORBIT performs better than COBYLA, a sequential penalty derivative-free method, an augmented Lagrangian method, a direct search method, and another RBF-based algorithm on the test problems and on the automotive application.

97 MATHEMATICS AND COMPUTING↗

Trigonometric Interpolation and Quadrature in Perturbed Points

The trigonometric interpolants to a periodic function f in equispaced points converge if f is Dini-continuous, and the associated quadrature formula, the trapezoidal rule, converges if f is continuous. What if the points are perturbed? With equispaced grid spacing h, let each point be perturbed by an arbitrary amount <= alpha h, where alpha is an element of[0, 1/2) is a fixed constant. The Kadec 1/4 theorem of sampling theory suggests there may be trouble for alpha >= 1/4. We show that convergence of both the interpolants and the quadrature estimates is guaranteed for all alpha < 1/2 if f is twice continuously differentiable, with the convergence rate depending on the smoothness of f. More precisely, it is enough for f to have 4 alpha derivatives in a certain sense, and we conjecture that 2 alpha derivatives are enough. Connections with the Fejer-Kalmar theorem are discussed.

Fej´er–Kalm´ar theorem↗

The FLOod Probability Interpolation Tool (FLOPIT): A Simple Tool to Improve Spatial Flood Probability Quantification and Communication

Understanding flood probabilities is essential to making sound decisions about flood-risk management. Many people rely on flood probability maps to inform decisions about purchasing flood insurance, buying or selling real-estate, flood-proofing a house, or managing floodplain development. Current flood probability maps typically use flood zones (for example the 1 in 100 or 1 in 500-year flood zones) to communicate flooding probabilities. However, this choice of communication format can miss important details and lead to biased risk assessments. Here we develop, test, and demonstrate the FLOod Probability Interpolation Tool (FLOPIT). FLOPIT interpolates flood probabilities between water surface elevation to produce continuous flood-probability maps. FLOPIT uses water surface elevation inundation maps for at least two return periods and creates Annual Exceedance Probability (AEP) as well as inundation maps for new return levels. Potential advantages of FLOPIT include being open-source, relatively easy to implement, capable of creating inundation maps from agencies other than FEMA, and applicable to locations where FEMA published flood inundation maps but not flood probability. Using publicly available data from the Federal Emergency Management Agency (FEMA) flood risk databases as well as state and national datasets, we produce continuous flood-probability maps at three example locations in the United States: Houston (TX), Muncy (PA), and Selinsgrove (PA). We find that the discrete flood zones generally communicate substantially lower flood probabilities than the continuous estimates.

54 ENVIRONMENTAL SCIENCES↗

Quantifying Emergent Fluid Dynamics Using Reynolds-Interpolated Fluid Reduced-order Models

Fluid reduced-order models (ROMs) which capture the flow physics within the problem's physical domain are usually constrained in accuracy to only the parameter points, e.g. Reynolds and Mach numbers, at which reference data was provided. Interpolation-focused quantity-of-interest ROMs are often structured differently and fail to provide flow volume data with the same quality - if at all. In this paper, techniques which reside at the intersection of these two ROM schools - flow physics ROMs which can be interpolated within a parameter space of interest - are explored. Using a combination of existing and novel techniques, emergent physics are identified using a fluid ROM at parameter points which are not provided in the ROM's training data.

uncertainty quantification↗

Quantifying Emergent Fluid Dynamics Using Reynolds-Interpolated Fluid Reduced-order Models

Fluid reduced-order models (ROMs) which capture the flow physics within the problem's physical domain are usually constrained in accuracy to only the parameter points, e.g. Reynolds and Mach numbers, at which reference data was provided. Interpolation-focused quantity-of-interest ROMs are often structured differently and fail to provide flow volume data with the same quality - if at all. In this paper, techniques which reside at the intersection of these two ROM schools - flow physics ROMs which can be interpolated within a parameter space of interest - are explored. Using a combination of existing and novel techniques, emergent physics are identified using a fluid ROM at parameter points which are not provided in the ROM's training data.

uncertainty quantification↗

On Hermite Interpolation using Bernstein Polynomials for Trajectory Generation

This work presents a solution to the two-point Hermite interpolation problem using Bernstein polynomials. The Hermite interpolation problem is of particular interest in aerospace applications where boundary conditions for trajectories often specify derivative constraints. In the examples shown, a trajectory will be generated between an initial condition and a final condition. For example, a trajectory is generated that connects an aircraft’s current position and velocity with a point on the runway at a desired landing velocity. The numerical stability of the proposed algorithms is analyzed empirically.

Bezier curves↗

Interpolating the Coulomb phase of little string theory

We study up to 8-derivative terms in the Coulomb branch effective action of (1,1) little string theory, by collecting results of 4-gluon scattering amplitudes from both perturbative 6D super-Yang-Mills theory up to 4-loop order, and tree-level double scaled little string theory (DSLST). In previous work we have matched the 6-derivative term from the 6D gauge theory to DSLST, indicating that this term is protected on the entire Coulomb branch. The 8-derivative term, on the other hand, is unprotected. In this paper we compute the 8-derivative term by interpolating from the two limits, near the origin and near the infinity on the Coulomb branch, numerically from SU(k) SYM and DSLST respectively, for k=2,3,4,5. We discuss the implication of this result on the UV completion of 6D SYM as well as the strong coupling completion of DSLST. As a result, we also comment on analogous interpolating functions in the Coulomb phase of circle-compactified (2,0) little string theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Spatiotemporal interpolation of air pollutants in the Greater Cairo and the Delta, Egypt

Highlights: • Data from network of monitoring stations in Egypt are used for studying SO{sub 2}, NO{sub 2}, and PM{sub 10.} • Trans-Gaussian Spatiotemporal kriging is used as a spatiotemporal interpolation method. • The whole area under study is suffering from high values of PM{sub 10} throughout 2015. • For NO{sub 2} and SO{sub 2}, the highest value is noticed in February. • Concerns must be given to the monitoring network to improve the prediction precision. This paper analyses the spatiotemporal variability of air pollutants in Egypt using monthly averages from the air quality monitoring network from 2011 to 2015. Particulate Matters (PM{sub 10}) Nitrogen Dioxide (NO{sub 2}) and Sulfur Dioxide (SO{sub 2}), measured by the monitoring stations network are studied. A log transformation is applied for the three pollutants to achieve normality. The sum-metric function is utilized for modelling the spatiotemporal variogram as it gave the smallest Mean Squared Error (MSE) compared to other forms namely separable, metric, and product sum models. Therefore, employing the gstat package in R together with the trans-Gaussian spatiotemporal kriging, the maps are generated for the interpolated surfaces for the monthly averages of 2015 and the corresponding standard error values. These maps will help the decision maker to understand and visualize the spatial and temporal variability of the measured pollutants and hence undertake the necessary policies and decisions. The results show that the down town area has the highest pollutants levels. As concerns the temporal dimension, the highest values are depicted during the month of February as compared to the rest of the year. Furthermore, Egypt is suffering from a serious PM{sub 10} problem for the area and period under study that extremely exceed the WHO and Egyptian guidelines.

54 ENVIRONMENTAL SCIENCES↗

Graph interpolating activation improves both natural and robust accuracies in data-efficient deep learning

Improving the accuracy and robustness of deep neural nets (DNNs) and adapting them to small training data are primary tasks in deep learning (DL) research. In this paper, we replace the output activation function of DNNs, typically the data-agnostic softmax function, with a graph Laplacian-based high-dimensional interpolating function which, in the continuum limit, converges to the solution of a Laplace–Beltrami equation on a high-dimensional manifold. Furthermore, we propose end-to-end training and testing algorithms for this new architecture. The proposed DNN with graph interpolating activation integrates the advantages of both deep learning and manifold learning. Compared to the conventional DNNs with the softmax function as output activation, the new framework demonstrates the following major advantages: First, it is better applicable to data-efficient learning in which we train high capacity DNNs without using a large number of training data. Second, it remarkably improves both natural accuracy on the clean images and robust accuracy on the adversarial images crafted by both white-box and black-box adversarial attacks. Third, it is a natural choice for semi-supervised learning. This paper is a significant extension of our earlier work published in NeurIPS, 2018. For reproducibility, the code is available at https://github.com/BaoWangMath/DNN-DataDependentActivation .

Mathematics↗