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Numerical simulations with rigid particles, drops or vesicles constitute some examples that involve 3D objects with spherical topology. When the numerical method is based on boundary integral equations, the error in using a regular quadrature rule to approximate the layer potentials that appear in the formulation will increase rapidly as the evaluation point approaches the surface and the integrand becomes sharply peaked. To determine when the accuracy becomes insufficient, and a more costly special quadrature method should be used, error estimates are needed. In this paper we present quadrature error estimates for layer potentials evaluated near surfaces of genus 0, parametrized using a polar and an azimuthal angle, discretized by a combination of the Gauss-Legendre and the trapezoidal quadrature rules. The error estimates involve no unknown coefficients, but complex valued roots of a specified distance function. The evaluation of the error estimates in general requires a one dimensional local root-finding procedure, but for specific geometries we obtain analytical results. Based on these explicit solutions, we derive simplified error estimates for layer potentials evaluated near spheres; these simple formulas depend only on the distance from the surface, the radius of the sphere and the number of discretization points. The usefulness of these error estimates is illustrated with numerical examples.

Understanding dynamics in complex systems is challenging because there are many degrees of freedom, and those that are most important for describing events of interest are often not obvious. The leading eigenfunctions of the transition operator are useful for visualization, and they can provide an efficient basis for computing statistics such as the likelihood and average time of events (predictions). Here we develop inexact iterative linear algebra methods for computing these eigenfunctions (spectral estimation) and making predictions from a data set of short trajectories sampled at finite intervals. We demonstrate the methods on a low-dimensional model that facilitates visualization and a high-dimensional model of a biomolecular system. Implications for the prediction problem in reinforcement learning are discussed.

Many solid mechanics problems on complex geometries are conventionally solved using discrete boundary methods. However, such an approach can be cumbersome for problems involving evolving domain boundaries due to the need to track boundaries and constant remeshing. In this work, we employ a robust smooth boundary method (SBM) that represents complex geometry implicitly, in a larger and simpler computational domain, as the support of a smooth indicator function. We present the resulting equations for mechanical equilibrium, in which inhomogeneous boundary conditions are replaced by source terms. The resulting mechanical equilibrium problem is semidefinite, making it difficult to solve. In this work, we present a computational strategy for efficiently solving near-singular SBM elasticity problems. We use the block-structured adaptive mesh refinement (BSAMR) method for resolving evolving boundaries appropriately, coupled with a geometric multigrid solver for an efficient solution of mechanical equilibrium. We discuss some of the practical numerical strategies for implementing this method, notably including the importance of grid versus node-centered fields. We demonstrate the solver's accuracy and performance for three representative examples: a) plastic strain evolution around a void, b) crack nucleation and propagation in brittle materials, and c) structural topology optimization. In each case, we show that very good convergence of the solver is achieved, even with large near-singular areas, and that any convergence issues arise from other complexities, such as stress concentrations. We present this framework as a versatile tool for studying a wide variety of solid mechanics problems involving variable geometry.

Permutation synchronization is an important problem in computer science that constitutes the key step of many computer vision tasks. The goal is to recover $n$ latent permutations from their noisy and incomplete pairwise measurements. In recent years, spectral methods have gained increasing popularity thanks to their simplicity and computational efficiency. Spectral methods utilize the leading eigenspace $U$ of the data matrix and its block submatrices $U_1,U_2,\ldots, U_n$ to recover the permutations. In this paper, we propose a novel and statistically optimal spectral algorithm. Unlike the existing methods which use $\{U_jU_1^\top\}_{j\geq 2}$, ours constructs an anchor matrix $M$ by aggregating useful information from all the block submatrices and estimates the latent permutations through $\{U_jM^\top\}_{j\geq 1}$. This modification overcomes a crucial limitation of the existing methods caused by the repetitive use of $U_1$ and leads to an improved numerical performance. To establish the optimality of the proposed method, we carry out a fine-grained spectral analysis and obtain a sharp exponential error bound that matches the minimax rate.

When considering a real log canonical threshold (RLCT) that gives a Bayesian generalization error, in general, papers replace a mean error function with a relatively simple polynomial whose RLCT corresponds to that of the mean error function, and obtain its RLCT by resolving its singularities through an algebraic operation called blow-up. Though it is known that the singularities of any polynomial can be resolved by a finite number of blow-up iterations, it is not clarified whether or not it is possible to resolve singularities of a specific polynomial by applying a specific blow-up algorithm. Therefore this paper considers the blow-up algorithm for the polynomials called sum-of-products (sop) polynomials and its RLCT.

Hierarchical learning algorithms that gradually approximate a solution to a data-driven optimization problem are essential to decision-making systems, especially under limitations on time and computational resources. In this study, we introduce a general-purpose hierarchical learning architecture that is based on the progressive partitioning of a possibly multi-resolution data space. The optimal partition is gradually approximated by solving a sequence of optimization sub-problems that yield a sequence of partitions with increasing number of subsets. We show that the solution of each optimization problem can be estimated online using gradient-free stochastic approximation updates. As a consequence, a function approximation problem can be defined within each subset of the partition and solved using the theory of two-timescale stochastic approximation algorithms. This simulates an annealing process and defines a robust and interpretable heuristic method to gradually increase the complexity of the learning architecture in a task-agnostic manner, giving emphasis to regions of the data space that are considered more important according to a predefined criterion. Finally, by imposing a tree structure in the progression of the partitions, we provide a means to incorporate potential multi-resolution structure of the data space into this approach, significantly reducing its complexity, while introducing hierarchical variable-rate feature extraction properties similar to certain classes of deep learning architectures. Asymptotic convergence analysis and experimental results are provided for supervised and unsupervised learning problems.

Based on a novel dynamic Whittle likelihood approximation for locally stationary processes, a Bayesian nonparametric approach to estimating the time-varying spectral density is proposed. This dynamic frequency-domain based likelihood approximation is able to depict the time-frequency evolution of the process by utilizing the moving periodogram previously introduced in the bootstrap literature. The posterior distribution is obtained by updating a bivariate extension of the Bernstein-Dirichlet process prior with the dynamic Whittle likelihood. Asymptotic properties such as sup-norm posterior consistency and L2-norm posterior contraction rates are presented. Additionally, this methodology enables model selection between stationarity and non-stationarity based on the Bayes factor. The finite-sample performance of the method is investigated in simulation studies and applications to real-life data-sets are presented.

We present an extension of the linear sampling method for solving the sound-soft inverse acoustic scattering problem with randomly distributed point sources. The theoretical justification of our sampling method is based on the Helmholtz--Kirchhoff identity, the cross-correlation between measurements, and the volume and imaginary near-field operators, which we introduce and analyze. Implementations in MATLAB using boundary elements, the SVD, Tikhonov regularization, and Morozov's discrepancy principle are also discussed. We demonstrate the robustness and accuracy of our algorithms with several numerical experiments in two dimensions.

Generalised hyperbolic (GH) processes are a class of stochastic processes that are used to model the dynamics of a wide range of complex systems that exhibit heavy-tailed behavior, including systems in finance, economics, biology, and physics. In this paper, we present novel simulation methods based on subordination with a generalised inverse Gaussian (GIG) process and using a generalised shot-noise representation that involves random thinning of infinite series of decreasing jump sizes. Compared with our previous work on GIG processes, we provide tighter bounds for the construction of rejection sampling ratios, leading to improved acceptance probabilities in simulation. Furthermore, we derive methods for the adaptive determination of the number of points required in the associated random series using concentration inequalities. Residual small jumps are then approximated using an appropriately scaled Brownian motion term with drift. Finally the rejection sampling steps are made significantly more computationally efficient through the use of squeezing functions based on lower and upper bounds on the L\'evy density. Experimental results are presented illustrating the strong performance under various parameter settings and comparing the marginal distribution of the GH paths with exact simulations of GH random variates. The new simulation methodology is made available to researchers through the publication of a Python code repository.

Physics-based covariance models provide a systematic way to construct covariance models that are consistent with the underlying physical laws in Gaussian process analysis. The unknown parameters in the covariance models can be estimated using maximum likelihood estimation, but direct construction of the covariance matrix and classical strategies of computing with it requires $n$ physical model runs, $n^2$ storage complexity, and $n^3$ computational complexity. To address such challenges, we propose to approximate the discretized covariance function using hierarchical matrices. By utilizing randomized range sketching for individual off-diagonal blocks, the construction process of the hierarchical covariance approximation requires $O(\log{n})$ physical model applications and the maximum likelihood computations require $O(n\log^2{n})$ effort per iteration. We propose a new approach to compute exactly the trace of products of hierarchical matrices which results in the expected Fischer information matrix being computable in $O(n\log^2{n})$ as well. The construction is totally matrix-free and the derivatives of the covariance matrix can then be approximated in the same hierarchical structure by differentiating the whole process. Numerical results are provided to demonstrate the effectiveness, accuracy, and efficiency of the proposed method for parameter estimations and uncertainty quantification.