The histogram estimator of a discrete probability mass function often exhibits undesirable properties related to zero probability estimation both within the observed range of counts and outside into the tails of the distribution. To circumvent this, we formulate a novel second-order discrete kernel smoother based on the recently developed mean-parametrized Conway--Maxwell--Poisson distribution which allows for both over- and under-dispersion. Two automated bandwidth selection approaches, one based on a simple minimization of the Kullback--Leibler divergence and another based on a more computationally demanding cross-validation criterion, are introduced. Both methods exhibit excellent small- and large-sample performance. Computational results on simulated datasets from a range of target distributions illustrate the flexibility and accuracy of the proposed method compared to existing smoothed and unsmoothed estimators. The method is applied to the modelling of somite counts in earthworms, and the number of development days of insect pests on the Hura tree.
相關內容
Finding a suitable density function is essential for density-based clustering algorithms such as DBSCAN and DPC. A naive density corresponding to the indicator function of a unit $d$-dimensional Euclidean ball is commonly used in these algorithms. Such density suffers from capturing local features in complex datasets. To tackle this issue, we propose a new kernel diffusion density function, which is adaptive to data of varying local distributional characteristics and smoothness. Furthermore, we develop a surrogate that can be efficiently computed in linear time and space and prove that it is asymptotically equivalent to the kernel diffusion density function. Extensive empirical experiments on benchmark and large-scale face image datasets show that the proposed approach not only achieves a significant improvement over classic density-based clustering algorithms but also outperforms the state-of-the-art face clustering methods by a large margin.
This paper presents several strategies to tune the parameters of metaheuristic methods for (discrete) design optimization of reinforced concrete (RC) structures. A novel utility metric is proposed, based on the area under the average performance curve. The process of modelling, analysis and design of realistic RC structures leads to objective functions for which the evaluation is computationally very expensive. To avoid costly simulations, two types of surrogate models are used. The first one consists of the creation of a database containing all possible solutions. The second one uses benchmark functions to create a discrete sub-space of them, simulating the main features of realistic problems. Parameter tuning of four metaheuristics is performed based on two strategies. The main difference between them is the parameter control established to perform partial assessments. The simplest strategy is suitable to tune good `generalist' methods, i.e., methods with good performance regardless the parameter configuration. The other one is more expensive, but is well suited to assess any method. Tuning results prove that Biogeography-Based Optimization, a relatively new evolutionary algorithm, outperforms other methods such as GA or PSO for such optimization problems, due to its particular approach of applying recombination and mutation operators.
We introduce and analyze various Regularized Combined Field Integral Equations (CFIER) formulations of time-harmonic Navier equations in media with piece-wise constant material properties. These formulations can be derived systematically starting from suitable coercive approximations of Dirichlet-to-Neumann operators (DtN), and we present a periodic pseudodifferential calculus framework within which the well posedness of CIER formulations can be established. We also use the DtN approximations to derive and analyze Optimized Schwarz (OS) methods for the solution of elastodynamics transmission problems. The pseudodifferential calculus we develop in this paper relies on careful singularity splittings of the kernels of Navier boundary integral operators which is also the basis of high-order Nystr\"om quadratures for their discretizations. Based on these high-order discretizations we investigate the rate of convergence of iterative solvers applied to CFIER and OS formulations of scattering and transmission problems. We present a variety of numerical results that illustrate that the CFIER methodology leads to important computational savings over the classical CFIE one, whenever iterative solvers are used for the solution of the ensuing discretized boundary integral equations. Finally, we show that the OS methods are competitive in the high-frequency high-contrast regime.
Fluid-structure interactions are central to many bio-molecular processes, and they impose a great challenge for computational and modeling methods. In this paper, we consider the immersed boundary method (IBM) for biofluid systems, and to alleviate the computational cost, we apply reduced-order techniques to eliminate the degrees of freedom associated with a large number of fluid variables. We show how reduced models can be derived using Petrov-Galerkin projection and subspaces that maintain the incompressibility condition. More importantly, the reduced-order model is shown to preserve the Lyapunov stability. We also address the practical issue of computing coefficient matrices in the reduced-order model using an interpolation technique. The efficiency and robustness of the proposed formulation are examined with test examples from various applications.
While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.
Randomized smoothing is currently considered the state-of-the-art method to obtain certifiably robust classifiers. Despite its remarkable performance, the method is associated with various serious problems such as ``certified accuracy waterfalls'', certification vs. accuracy trade-off, or even fairness issues. Input-dependent smoothing approaches have been proposed to overcome these flaws. However, we demonstrate that these methods lack formal guarantees and so the resulting certificates are not justified. We show that the input-dependent smoothing, in general, suffers from the curse of dimensionality, forcing the variance function to have low semi-elasticity. On the other hand, we provide a theoretical and practical framework that enables the usage of input-dependent smoothing even in the presence of the curse of dimensionality, under strict restrictions. We present one concrete design of the smoothing variance and test it on CIFAR10 and MNIST. Our design solves some of the problems of classical smoothing and is formally underlined, yet further improvement of the design is still necessary.
Mutual information (MI) is a fundamental measure of statistical dependence, with a myriad of applications to information theory, statistics, and machine learning. While it possesses many desirable structural properties, the estimation of high-dimensional MI from samples suffers from the curse of dimensionality. Motivated by statistical scalability to high dimensions, this paper proposes \emph{sliced} MI (SMI) as a surrogate measure of dependence. SMI is defined as an average of MI terms between one-dimensional random projections. We show that it preserves many of the structural properties of classic MI, while gaining scalable computation and efficient estimation from samples. Furthermore, and in contrast to classic MI, SMI can grow as a result of deterministic transformations. This enables leveraging SMI for feature extraction by optimizing it over processing functions of raw data to identify useful representations thereof. Our theory is supported by numerical studies of independence testing and feature extraction, which demonstrate the potential gains SMI offers over classic MI for high-dimensional inference.
Computable Stein discrepancies have been deployed for a variety of applications, ranging from sampler selection in posterior inference to approximate Bayesian inference to goodness-of-fit testing. Existing convergence-determining Stein discrepancies admit strong theoretical guarantees but suffer from a computational cost that grows quadratically in the sample size. While linear-time Stein discrepancies have been proposed for goodness-of-fit testing, they exhibit avoidable degradations in testing power -- even when power is explicitly optimized. To address these shortcomings, we introduce feature Stein discrepancies ($\Phi$SDs), a new family of quality measures that can be cheaply approximated using importance sampling. We show how to construct $\Phi$SDs that provably determine the convergence of a sample to its target and develop high-accuracy approximations -- random $\Phi$SDs (R$\Phi$SDs) -- which are computable in near-linear time. In our experiments with sampler selection for approximate posterior inference and goodness-of-fit testing, R$\Phi$SDs perform as well or better than quadratic-time KSDs while being orders of magnitude faster to compute.
We introduce kernel thinning, a new procedure for compressing a distribution $\mathbb{P}$ more effectively than i.i.d. sampling or standard thinning. Given a suitable reproducing kernel $\mathbf{k}$ and $\mathcal{O}(n^2)$ time, kernel thinning compresses an $n$-point approximation to $\mathbb{P}$ into a $\sqrt{n}$-point approximation with comparable worst-case integration error across the associated reproducing kernel Hilbert space. With high probability, the maximum discrepancy in integration error is $\mathcal{O}_d(n^{-\frac{1}{2}}\sqrt{\log n})$ for compactly supported $\mathbb{P}$ and $\mathcal{O}_d(n^{-\frac{1}{2}} \sqrt{(\log n)^{d+1}\log\log n})$ for sub-exponential $\mathbb{P}$ on $\mathbb{R}^d$. In contrast, an equal-sized i.i.d. sample from $\mathbb{P}$ suffers $\Omega(n^{-\frac14})$ integration error. Our sub-exponential guarantees resemble the classical quasi-Monte Carlo error rates for uniform $\mathbb{P}$ on $[0,1]^d$ but apply to general distributions on $\mathbb{R}^d$ and a wide range of common kernels. We use our results to derive explicit non-asymptotic maximum mean discrepancy bounds for Gaussian, Mat\'ern, and B-spline kernels and present two vignettes illustrating the practical benefits of kernel thinning over i.i.d. sampling and standard Markov chain Monte Carlo thinning, in dimensions $d=2$ through $100$.
High-order clustering aims to identify heterogeneous substructures in multiway datasets that arise commonly in neuroimaging, genomics, social network studies, etc. The non-convex and discontinuous nature of this problem pose significant challenges in both statistics and computation. In this paper, we propose a tensor block model and the computationally efficient methods, \emph{high-order Lloyd algorithm} (HLloyd), and \emph{high-order spectral clustering} (HSC), for high-order clustering. The convergence guarantees and statistical optimality are established for the proposed procedure under a mild sub-Gaussian noise assumption. Under the Gaussian tensor block model, we completely characterize the statistical-computational trade-off for achieving high-order exact clustering based on three different signal-to-noise ratio regimes. The analysis relies on new techniques of high-order spectral perturbation analysis and a "singular-value-gap-free" error bound in tensor estimation, which are substantially different from the matrix spectral analyses in the literature. Finally, we show the merits of the proposed procedures via extensive experiments on both synthetic and real datasets.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191