A high-wavenumber boundary-element method for an acoustic scattering problem

In this paper we show stability and convergence for a novel Galerkin boundary element method approach to the impedance boundary value problem for the Helmholtz equation in a half-plane with piecewise constant boundary data. This problem models, for example, outdoor sound propagation over inhomogeneous flat terrain. To achieve a good approximation with a relatively low number of degrees of freedom we employ a graded mesh with smaller elements adjacent to discontinuities in impedance, and a special set of basis functions for the Galerkin method so that, on each element, the approximation space consists of polynomials (of degree $\nu$) multiplied by traces of plane waves on the boundary. In the case where the impedance is constant outside an interval $[a,b]$, which only requires the discretization of $[a,b]$, we show theoretically and experimentally that the $L_2$ error in computing the acoustic field on $[a,b]$ is ${\cal O}(\log^{\nu+3/2}|k(b-a)| M^{-(\nu+1)})$, where $M$ is the number of degrees of freedom and $k$ is the wavenumber. This indicates that the proposed method is especially commendable for large intervals or a high wavenumber. In a final section we sketch how the same methodology extends to more general scattering problems.

GISQ, a multifunctional indicator of soil quality

We present here an indicator of soil quality that evaluates soil ecosystem services through a set of 5 subindicators, and further combines them into a single general Indicator of Soil Quality (GISQ). We used information derived from 54 properties commonly used to describe the multifaceted aspects of soil quality. The design and calculation of the indicators were based on sequences of multivariate analyses. Subindicators evaluated the physical quality, chemical fertility, organic matter stocks, aggregation and morphology of the upper 5 cm of soil and the biodiversity of soil macrofauna. A GISQ combined the different subindicators providing a global assessment of soil quality. Research was conducted in two hillside regions of Colombia and Nicaragua, with similar types of land use and socio-economic context. However, soil and climatic conditions differed significantly. In Nicaragua, soil quality was assessed at 61 points regularly distributed 200 m apart on a regular grid across the landscape. In Colombia, 8 plots representing different types of land use were arbitrarily chosen in the landscape and intensively sampled. Indicators that were designed in the Nicaragua site were further applied to the Colombian site to test for their applicability. In Nicaragua, coffee plantations, fallows, pastures and forest had the highest values of GISQ (1.00; 0.80; 0.78 and 0.77, respectively) while maize crops and eroded soils (0.19 and 0.10) had the lowest values. Examination of subindicator values allowed the separate evaluation of different aspects of soil quality: subindicators of organic matter, aggregation and morphology and biodiversity of macrofauna had the maximum values in coffee plantations (0.89; 0.72 and 0.56, respectively on average) while eroded soils had the lowest values for these indicators (0.10; 0.31 and 0.33, respectively). Indicator formulae derived from information gained at the Nicaraguan sites were not applicable to the Colombian situation and site-specific constants were calculated. This indicator allows the evaluation of soil quality and facilitates the identification of problem areas through the individual values of each subindicator. It allows monitoring of change through time and can guide the implementation of soil restoration technologies. Although GISQ formulae computed on a set of data were only valid at a regional scale, the methodology used to create these indices can be applied everywhere.

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcal/mol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively. (C) 2008 American Institute of Physics.

Instance generators and test suites for the multiobjective quadratic assignment problem

We describe, and make publicly available, two problem instance generators for a multiobjective version of the well-known quadratic assignment problem (QAP). The generators allow a number of instance parameters to be set, including those controlling epistasis and inter-objective correlations. Based on these generators, several initial test suites are provided and described. For each test instance we measure some global properties and, for the smallest ones, make some initial observations of the Pareto optimal sets/fronts. Our purpose in providing these tools is to facilitate the ongoing study of problem structure in multiobjective (combinatorial) optimization, and its effects on search landscape and algorithm performance.

Planning rigid body motions using elastic curves

This paper tackles the problem of computing smooth, optimal trajectories on the Euclidean group of motions SE(3). The problem is formulated as an optimal control problem where the cost function to be minimized is equal to the integral of the classical curvature squared. This problem is analogous to the elastic problem from differential geometry and thus the resulting rigid body motions will trace elastic curves. An application of the Maximum Principle to this optimal control problem shifts the emphasis to the language of symplectic geometry and to the associated Hamiltonian formalism. This results in a system of first order differential equations that yield coordinate free necessary conditions for optimality for these curves. From these necessary conditions we identify an integrable case and these particular set of curves are solved analytically. These analytic solutions provide interpolating curves between an initial given position and orientation and a desired position and orientation that would be useful in motion planning for systems such as robotic manipulators and autonomous-oriented vehicles.

Optimal kinematic control of an autonomous underwater vehicle

This note investigates the motion control of an autonomous underwater vehicle (AUV). The AUV is modeled as a nonholonomic system as any lateral motion of a conventional, slender AUV is quickly damped out. The problem is formulated as an optimal kinematic control problem on the Euclidean Group of Motions SE(3), where the cost function to be minimized is equal to the integral of a quadratic function of the velocity components. An application of the Maximum Principle to this optimal control problem yields the appropriate Hamiltonian and the corresponding vector fields give the necessary conditions for optimality. For a special case of the cost function, the necessary conditions for optimality can be characterized more easily and we proceed to investigate its solutions. Finally, it is shown that a particular set of optimal motions trace helical paths. Throughout this note we highlight a particular case where the quadratic cost function is weighted in such a way that it equates to the Lagrangian (kinetic energy) of the AUV. For this case, the regular extremal curves are constrained to equate to the AUV's components of momentum and the resulting vector fields are the d'Alembert-Lagrange equations in Hamiltonian form.

Different splitting techniques with application to air pollution models

Splitting techniques are commonly used when large-scale models, which appear in different fields of science and engineering, are treated numerically. Four types of splitting procedures are defined and discussed. The problem of the choice of a splitting procedure is investigated. Several numerical tests, by which the influence of the splitting errors on the accuracy of the results is studied, are given. It is shown that the splitting errors decrease linearly when (1) the splitting procedure is of first order and (2) the splitting errors are dominant. Three examples for splitting procedures used in all large-scale air pollution models are presented. Numerical results obtained by a particular air pollution model, Unified Danish Eulerian Model (UNI-DEM), are given and analysed.

Mixed initial-boundary value problem in particle modeling of microelectronic devices

The Boltzmann equation in presence of boundary and initial conditions, which describes the general case of carrier transport in microelectronic devices is analysed in terms of Monte Carlo theory. The classical Ensemble Monte Carlo algorithm which has been devised by merely phenomenological considerations of the initial and boundary carrier contributions is now derived in a formal way. The approach allows to suggest a set of event-biasing algorithms for statistical enhancement as an alternative of the population control technique, which is virtually the only algorithm currently used in particle simulators. The scheme of the self-consistent coupling of Boltzmann and Poisson equation is considered for the case of weighted particles. It is shown that particles survive the successive iteration steps.

Flux difference splitting for open channel flows

A finite difference scheme based on flux difference splitting is presented for the solution of the one-dimensional shallow-water equations in open channels, together with an extension to two-dimensional flows. A linearized problem, analogous to that of Riemann for gas dynamics, is defined and a scheme, based on numerical characteristic decomposition, is presented for obtaining approximate solutions to the linearized problem. The method of upwind differencing is used for the resulting scalar problems, together with a flux limiter for obtaining a second-order scheme which avoids non-physical, spurious oscillations. The scheme is applied to a one-dimensional dam-break problem, and to a problem of flow in a river whose geometry induces a region of supercritical flow. The scheme is also applied to a two-dimensional dam-break problem. The numerical results are compared with the exact solution, or other numerical results, where available.

Vertex splitting and connectivity augmentation in hypergraphs

We consider problems of splitting and connectivity augmentation in hypergraphs. In a hypergraph G = (V +s, E), to split two edges su, sv, is to replace them with a single edge uv. We are interested in doing this in such a way as to preserve a defined level of connectivity in V . The splitting technique is often used as a way of adding new edges into a graph or hypergraph, so as to augment the connectivity to some prescribed level. We begin by providing a short history of work done in this area. Then several preliminary results are given in a general form so that they may be used to tackle several problems. We then analyse the hypergraphs G = (V + s, E) for which there is no split preserving the local-edge-connectivity present in V. We provide two structural theorems, one of which implies a slight extension to Mader’s classical splitting theorem. We also provide a characterisation of the hypergraphs for which there is no such “good” split and a splitting result concerned with a specialisation of the local-connectivity function. We then use our splitting results to provide an upper bound on the smallest number of size-two edges we must add to any given hypergraph to ensure that in the resulting hypergraph we have λ(x, y) ≥ r(x, y) for all x, y in V, where r is an integer valued, symmetric requirement function on V*V. This is the so called “local-edge-connectivity augmentation problem” for hypergraphs. We also provide an extension to a Theorem of Szigeti, about augmenting to satisfy a requirement r, but using hyperedges. Next, in a result born of collaborative work with Zoltán Király from Budapest, we show that the local-connectivity augmentation problem is NP-complete for hypergraphs. Lastly we concern ourselves with an augmentation problem that includes a locational constraint. The premise is that we are given a hypergraph H = (V,E) with a bipartition P = {P1, P2} of V and asked to augment it with size-two edges, so that the result is k-edge-connected, and has no new edge contained in some P(i). We consider the splitting technique and describe the obstacles that prevent us forming “good” splits. From this we deduce results about which hypergraphs have a complete Pk-split. This leads to a minimax result on the optimal number of edges required and a polynomial algorithm to provide an optimal augmentation.

Analysis of spectroscopic measurements of leaf water content at terahertz frequencies using linear transforms

We provide a unified framework for a range of linear transforms that can be used for the analysis of terahertz spectroscopic data, with particular emphasis on their application to the measurement of leaf water content. The use of linear transforms for filtering, regression, and classification is discussed. For illustration, a classification problem involving leaves at three stages of drought and a prediction problem involving simulated spectra are presented. Issues resulting from scaling the data set are discussed. Using Lagrange multipliers, we arrive at the transform that yields the maximum separation between the spectra and show that this optimal transform is equivalent to computing the Euclidean distance between the samples. The optimal linear transform is compared with the average for all the spectra as well as with the Karhunen–Loève transform to discriminate a wet leaf from a dry leaf. We show that taking several principal components into account is equivalent to defining new axes in which data are to be analyzed. The procedure shows that the coefficients of the Karhunen–Loève transform are well suited to the process of classification of spectra. This is in line with expectations, as these coefficients are built from the statistical properties of the data set analyzed.

Nonlinear set-membership estimation: a support vector machine approach

In this paper a support vector machine (SVM) approach for characterizing the feasible parameter set (FPS) in non-linear set-membership estimation problems is presented. It iteratively solves a regression problem from which an approximation of the boundary of the FPS can be determined. To guarantee convergence to the boundary the procedure includes a no-derivative line search and for an appropriate coverage of points on the FPS boundary it is suggested to start with a sequential box pavement procedure. The SVM approach is illustrated on a simple sine and exponential model with two parameters and an agro-forestry simulation model.

Source splitting via the point source method

We introduce a new algorithm for source identification and field splitting based on the point source method (Potthast 1998 A point-source method for inverse acoustic and electromagnetic obstacle scattering problems IMA J. Appl. Math. 61 119–40, Potthast R 1996 A fast new method to solve inverse scattering problems Inverse Problems 12 731–42). The task is to separate the sound fields uj, j = 1, ..., n of sound sources supported in different bounded domains G1, ..., Gn in from measurements of the field on some microphone array—mathematically speaking from the knowledge of the sum of the fields u = u1 + + un on some open subset Λ of a plane. The main idea of the scheme is to calculate filter functions , to construct uℓ for ℓ = 1, ..., n from u|Λ in the form We will provide the complete mathematical theory for the field splitting via the point source method. In particular, we describe uniqueness, solvability of the problem and convergence and stability of the algorithm. In the second part we describe the practical realization of the splitting for real data measurements carried out at the Institute for Sound and Vibration Research at Southampton, UK. A practical demonstration of the original recording and the splitting results for real data is available online.

A fast two-grid and finite section method for a class of integral equations on the real line with application to an acoustic scattering problem in the half-plane

We consider the numerical treatment of second kind integral equations on the real line of the form ∅(s) = ∫_(-∞)^(+∞)▒〖κ(s-t)z(t)ϕ(t)dt,s=R〗 (abbreviated ϕ= ψ+K_z ϕ) in which K ϵ L_1 (R), z ϵ L_∞ (R) and ψ ϵ BC(R), the space of bounded continuous functions on R, are assumed known and ϕ ϵ BC(R) is to be determined. We first derive sharp error estimates for the finite section approximation (reducing the range of integration to [-A, A]) via bounds on (1-K_z )^(-1)as an operator on spaces of weighted continuous functions. Numerical solution by a simple discrete collocation method on a uniform grid on R is then analysed: in the case when z is compactly supported this leads to a coefficient matrix which allows a rapid matrix-vector multiply via the FFT. To utilise this possibility we propose a modified two-grid iteration, a feature of which is that the coarse grid matrix is approximated by a banded matrix, and analyse convergence and computational cost. In cases where z is not compactly supported a combined finite section and two-grid algorithm can be applied and we extend the analysis to this case. As an application we consider acoustic scattering in the half-plane with a Robin or impedance boundary condition which we formulate as a boundary integral equation of the class studied. Our final result is that if z (related to the boundary impedance in the application) takes values in an appropriate compact subset Q of the complex plane, then the difference between ϕ(s)and its finite section approximation computed numerically using the iterative scheme proposed is ≤C_1 [kh log⁡〖(1⁄kh)+(1-Θ)^((-1)⁄2) (kA)^((-1)⁄2) 〗 ] in the interval [-ΘA,ΘA](Θ<1) for kh sufficiently small, where k is the wavenumber and h the grid spacing. Moreover this numerical approximation can be computed in ≤C_2 N log⁡N operations, where N = 2A/h is the number of degrees of freedom. The values of the constants C1 and C2 depend only on the set Q and not on the wavenumber k or the support of z.

Maximum principles for vectorial approximate minimisers on non-convex functionals

We establish Maximum Principles which apply to vectorial approximate minimizers of the general integral functional of Calculus of Variations. Our main result is a version of the Convex Hull Property. The primary advance compared to results already existing in the literature is that we have dropped the quasiconvexity assumption of the integrand in the gradient term. The lack of weak Lower semicontinuity is compensated by introducing a nonlinear convergence technique, based on the approximation of the projection onto a convex set by reflections and on the invariance of the integrand in the gradient term under the Orthogonal Group. Maximum Principles are implied for the relaxed solution in the case of non-existence of minimizers and for minimizing solutions of the Euler–Lagrange system of PDE.