The computation of the ground states of special multi-component Bose-Einstein condensates (BECs) can be formulated as an energy functional minimization problem with spherical constraints. It leads to a nonconvex quartic-quadratic optimization problem after suitable discretizations. First, we generalize the Newton-based methods for single-component BECs to the alternating minimization scheme for multi-component BECs. Second, the global convergent alternating Newton-Noda iteration (ANNI) is proposed. In particular, we prove the positivity preserving property of ANNI under mild conditions. Finally, our analysis is applied to a class of more general "multi-block" optimization problems with spherical constraints. Numerical experiments are performed to evaluate the performance of proposed methods for different multi-component BECs, including pseudo spin-1/2, anti-ferromagnetic spin-1 and spin-2 BECs. These results support our theory and demonstrate the efficiency of our algorithms.
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This paper deals with the error analysis of the trapezoidal rule for the computation of Fourier type integrals, based on two double exponential transformations. The theory allows to construct algorithms in which the steplength and the number of nodes can be a priori selected. The analysis is also used to design an automatic integrator that can be employed without any knowledge of the function involved in the problem. Several numerical examples, which confirm the reliability of this strategy, are reported.
Multiscale Finite Element Methods (MsFEMs) are now well-established finite element type approaches dedicated to multiscale problems. They first compute local, oscillatory, problem-dependent basis functions that generate a suitable discretization space, and next perform a Galerkin approximation of the problem on that space. We investigate here how these approaches can be implemented in a non-intrusive way, in order to facilitate their dissemination within industrial codes or non-academic environments. We develop an abstract framework that covers a wide variety of MsFEMs for linear second-order partial differential equations. Non-intrusive MsFEM approaches are developed within the full generality of this framework, which may moreover be beneficial to steering software development and improving the theoretical understanding and analysis of MsFEMs.
Multivariate histograms are difficult to construct due to the curse of dimensionality. Motivated by $k$-d trees in computer science, we show how to construct an efficient data-adaptive partition of Euclidean space that possesses the following two properties: With high confidence the distribution from which the data are generated is close to uniform on each rectangle of the partition; and despite the data-dependent construction we can give guaranteed finite sample simultaneous confidence intervals for the probabilities (and hence for the average densities) of each rectangle in the partition. This partition will automatically adapt to the sizes of the regions where the distribution is close to uniform. The methodology produces confidence intervals whose widths depend only on the probability content of the rectangles and not on the dimensionality of the space, thus avoiding the curse of dimensionality. Moreover, the widths essentially match the optimal widths in the univariate setting. The simultaneous validity of the confidence intervals allows to use this construction, which we call {\sl Beta-trees}, for various data-analytic purposes. We illustrate this by using Beta-trees for visualizing data and for multivariate mode-hunting.
The imposition of inhomogeneous Dirichlet (essential) boundary conditions is a fundamental challenge in the application of Galerkin-type methods based on non-interpolatory functions, i.e., functions which do not possess the Kronecker delta property. Such functions typically are used in various meshfree methods, as well as methods based on the isogeometric paradigm. The present paper analyses a model problem consisting of the Poisson equation subject to non-standard boundary conditions. Namely, instead of classical boundary conditions, the model problem involves Dirichlet- and Neumann-type nonlocal boundary conditions. Variational formulations with strongly and weakly imposed inhomogeneous Dirichlet-type nonlocal conditions are derived and compared within an extensive numerical study in the isogeometric framework based on non-uniform rational B-splines (NURBS). The attention in the numerical study is paid mainly to the influence of the nonlocal boundary conditions on the properties of the considered discretisation methods.
A non-intrusive model order reduction (MOR) method that combines features of the dynamic mode decomposition (DMD) and the radial basis function (RBF) network is proposed to predict the dynamics of parametric nonlinear systems. In many applications, we have limited access to the information of the whole system, which motivates non-intrusive model reduction. One bottleneck is capturing the dynamics of the solution without knowing the physics inside the "black-box" system. DMD is a powerful tool to mimic the dynamics of the system and give a reliable approximation of the solution in the time domain using only the dominant DMD modes. However, DMD cannot reproduce the parametric behavior of the dynamics. Our contribution focuses on extending DMD to parametric DMD by RBF interpolation. Specifically, a RBF network is first trained using snapshot matrices at limited parameter samples. The snapshot matrix at any new parameter sample can be quickly learned from the RBF network. DMD will use the newly generated snapshot matrix at the online stage to predict the time patterns of the dynamics corresponding to the new parameter sample. The proposed framework and algorithm are tested and validated by numerical examples including models with parametrized and time-varying inputs.
We propose a many-sorted modal logic for reasoning about knowledge in multi-agent systems. Our logic introduces a clear distinction between participating agents and the environment. This allows to express local properties of agents and global properties of worlds in a uniform way, as well as to talk about the presence or absence of agents in a world. The logic subsumes the standard epistemic logic and is a conservative extension of it. The semantics is given in chromatic hypergraphs, a generalization of chromatic simplicial complexes, which were recently used to model knowledge in distributed systems. We show that the logic is sound and complete with respect to the intended semantics. We also show a further connection of chromatic hypergraphs with neighborhood frames.
Given samples from two non-negative random variables, we propose a new class of nonparametric tests for the null hypothesis that one random variable dominates the other with respect to second-order stochastic dominance. These tests are based on the Lorenz P-P plot (LPP), which is the composition between the inverse unscaled Lorenz curve of one distribution and the unscaled Lorenz curve of the other. The LPP exceeds the identity function if and only if the dominance condition is violated, providing a rather simple method to construct test statistics, given by functionals defined over the difference between the identity and the LPP. We determine a stochastic upper bound for such test statistics under the null hypothesis, and derive its limit distribution, to be approximated via bootstrap procedures. We also establish the asymptotic validity of the tests under relatively mild conditions, allowing for both dependent and independent samples. Finally, finite sample properties are investigated through simulation studies.
Symmetry plays a central role in the sciences, machine learning, and statistics. For situations in which data are known to obey a symmetry, a multitude of methods that exploit symmetry have been developed. Statistical tests for the presence or absence of general group symmetry, however, are largely non-existent. This work formulates non-parametric hypothesis tests, based on a single independent and identically distributed sample, for distributional symmetry under a specified group. We provide a general formulation of tests for symmetry that apply to two broad settings. The first setting tests for the invariance of a marginal or joint distribution under the action of a compact group. Here, an asymptotically unbiased test only requires a computable metric on the space of probability distributions and the ability to sample uniformly random group elements. Building on this, we propose an easy-to-implement conditional Monte Carlo test and prove that it achieves exact $p$-values with finitely many observations and Monte Carlo samples. The second setting tests for the invariance or equivariance of a conditional distribution under the action of a locally compact group. We show that the test for conditional invariance or equivariance can be formulated as particular tests of conditional independence. We implement these tests from both settings using kernel methods and study them empirically on synthetic data. Finally, we apply them to testing for symmetry in geomagnetic satellite data and in two problems from high-energy particle physics.
We consider parametrized linear-quadratic optimal control problems and provide their online-efficient solutions by combining greedy reduced basis methods and machine learning algorithms. To this end, we first extend the greedy control algorithm, which builds a reduced basis for the manifold of optimal final time adjoint states, to the setting where the objective functional consists of a penalty term measuring the deviation from a desired state and a term describing the control energy. Afterwards, we apply machine learning surrogates to accelerate the online evaluation of the reduced model. The error estimates proven for the greedy procedure are further transferred to the machine learning models and thus allow for efficient a posteriori error certification. We discuss the computational costs of all considered methods in detail and show by means of two numerical examples the tremendous potential of the proposed methodology.
The distance geometry problem asks to find a realization of a given simple edge-weighted graph in a Euclidean space of given dimension K, where the edges are realized as straight segments of lengths equal (or as close as possible) to the edge weights. The problem is often modelled as a mathematical programming formulation involving decision variables that determine the position of the vertices in the given Euclidean space. Solution algorithms are generally constructed using local or global nonlinear optimization techniques. We present a new modelling technique for this problem where, instead of deciding vertex positions, formulations decide the length of the segments representing the edges in each cycle in the graph, projected in every dimension. We propose an exact formulation and a relaxation based on a Eulerian cycle. We then compare computational results from protein conformation instances obtained with stochastic global optimization techniques on the new cycle-based formulation and on the existing edge-based formulation. While edge-based formulations take less time to reach termination, cycle-based formulations are generally better on solution quality measures.
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