Spline local basis methods for nonparametric density estimation

The Fisher information matrix (FIM) is a widely used measure for applications including statistical inference, information geometry, experiment design, and the study of criticality in biological systems. The FIM is defined for a parametric family of probability distributions and its estimation from data follows one of two paths: either the distribution is assumed to be known and the parameters are estimated from the data or the parameters are known and the distribution is estimated from the data. We consider the latter case which is applicable, for example, to experiments where the parameters are controlled by the experimenter and a complicated relation exists between the input parameters and the resulting distribution of the data. Since we assume that the distribution is unknown, we use a nonparametric density estimation on the data and then compute the FIM directly from that estimate using a finite-difference approximation to estimate the derivatives in its definition. The accuracy of the estimate depends on both the method of nonparametric estimation and the difference Δθ between the densities used in the finite-difference formula. We develop an approach for choosing the optimal parameter difference Δθ based on large deviations theory and compare two nonparametric density estimation methods, the Gaussian kernel density estimator and a novel density estimation using field theory method. We also compare these two methods to a recently published approach that circumvents the need for density estimation by estimating a nonparametric f divergence and using it to approximate the FIM. We use the Fisher information of the normal distribution to validate our method and as a more involved example we compute the temperature component of the FIM in the two-dimensional Ising model and show that it obeys the expected relation to the heat capacity and therefore peaks at the phase transition at the correct critical temperature.

We propose a method for nonparametric density estimation that exhibits robustness to contamination of the training sample. This method achieves robustness by combining a traditional kernel density estimator (KDE) with ideas from classical M-estimation. We interpret the KDE based on a positive semi-definite kernel as a sample mean in the associated reproducing kernel Hilbert space. Since the sample mean is sensitive to outliers, we estimate it robustly via M-estimation, yielding a robust kernel density estimator (RKDE). An RKDE can be computed efficiently via a kernelized iteratively re-weighted least squares (IRWLS) algorithm. Necessary and sufficient conditions are given for kernelized IRWLS to converge to the global minimizer of the M-estimator objective function. The robustness of the RKDE is demonstrated with a representer theorem, the influence function, and experimental results for density estimation and anomaly detection.

The article investigates the accuracy of nonparametric univariate density estimation methods applied to various Gaussian mixture models. A comprehensive comparative analysis is performed for four popular estimation approaches: adaptive kernel density estimation, projection pursuit, log-spline estimation, and wavelet-based estimation. The study is extended with modified versions of these methods, where the sample is first clustered using the EM algorithm based on Gaussian mixture components prior to density estimation. Estimation accuracy is quantitatively evaluated using MAE and MAPE criteria, with simulation experiments conducted over 100,000 replications for various sample sizes. The results show that estimation accuracy strongly depends on the density structure, sample size, and degree of component overlap. Clustering before density estimation significantly improves accuracy for multimodal and asymmetric densities. Although no formal statistical tests are conducted, the performance improvement is validated through non-overlapping confidence intervals obtained from 100,000 simulation replications. In addition, several decision-making systems are compared for automatically selecting the most appropriate estimation method based on the sample’s statistical features. Among the tested systems, kernel discriminant analysis yielded the lowest error rates, while neural networks and hybrid methods showed competitive but more variable performance depending on the evaluation criterion. The findings highlight the importance of using structurally adaptive estimators and automation of method selection in nonparametric statistics. The article concludes with recommendations for method selection based on sample characteristics and outlines future research directions, including extensions to multivariate settings and real-time decision-making systems.

Methods of density estimation on the Grassmann manifold

This paper introduces an approach to select the bandwidth or smoothing parameter in multiresolution (MR) density estimation and nonparametric density estimation. It is based on the evolution of the second, third and fourth central moments and the shape of the estimated densities for different bandwidths and resolution levels. The proposed method has been applied to density estimation by means of multiresolution densities as well as kernel density estimation (MRDE and KDE respectively). The results of the simulations and the empirical application demonstrate that the level of resolution resulting from the moments method performs better with multimodal densities than the Bayesian Information Criterion (BIC) for multiresolution densities estimation and the plug-in for kernel densities estimation.

Nonparametric estimation for a probability density function that describes multivariate data has typically been addressed by kernel density estimation (KDE). A novel density estimator recently developed by Farmer and Jacobs offers an alternative high-throughput automated approach to univariate nonparametric density estimation based on maximum entropy and order statistics, improving accuracy over univariate KDE. This article presents an extension of the single variable case to multiple variables. The univariate estimator is used to recursively calculate a product array of one-dimensional conditional probabilities. In combination with interpolation methods, a complete joint probability density estimate is generated for multiple variables. Good accuracy and speed performance in synthetic data are demonstrated by a numerical study using known distributions over a range of sample sizes from 100 to 106 for two to six variables. Performance in terms of speed and accuracy is compared to KDE. The multivariate density estimate developed here tends to perform better as the number of samples and/or variables increases. As an example application, measurements are analyzed over five filters of photometric data from the Sloan Digital Sky Survey Data Release 17. The multivariate estimation is used to form the basis for a binary classifier that distinguishes quasars from galaxies and stars with up to 94% accuracy.

This paper considers the problem of nonparametric deconvolution density estimation when sample observa-tions are contaminated by double exponentially distributed errors. Three different deconvolution density estima-tors are introduced: a weighted kernel density estimator, a kernel density estimator based on the support vector regression method in a RKHS, and a classical kernel density estimator. The performance of these deconvolution density estimators is compared by means of a simulation study.

Kernel density estimation (KDE) is one of the most widely used nonparametric density estimation methods. The fact that it is a memory-based method, i.e., it uses the entire training data set for prediction, makes it unsuitable for most current big data applications. Several strategies, such as tree-based or hashing-based estimators, have been proposed to improve the efficiency of the kernel density estimation method. The novel density kernel density estimation method (DMKDE) uses density matrices, a quantum mechanical formalism, and random Fourier features, an explicit kernel approximation, to produce density estimates. This method has its roots in the KDE and can be considered as an approximation method, without its memory-based restriction. In this paper, we systematically evaluate the novel DMKDE algorithm and compare it with other state-of-the-art fast procedures for approximating the kernel density estimation method on different synthetic data sets. Our experimental results show that DMKDE is on par with its competitors for computing density estimates and advantages are shown when performed on high-dimensional data. We have made all the code available as an open source software repository.

Recently Hazelton and Turlach (2009) proposed a weighted kernel density estimatorfor the deconvolution problem. In the case of Gaussian kernels and measurement er-ror, they argued that the weighted kernel density estimator is a competitive estimatorover the classical deconvolution kernel estimator. In this paper we consider weightedkernel density estimators when sample observations are contaminated by double expo-nentially distributed errors. The performance of the weighted kernel density estimatorsis compared over the classical deconvolution kernel estimator and the kernel density es-timator based on the support vector regression method by means of a simulation study.The weighted density estimator with the Gaussian kernel shows numerical instabilityin practical implementation of optimization function. However the weighted densityestimates with the double exponential kernel has very similar patterns to the classicalkernel density estimates in the simulations, but the shape is less satisfactory than theclassical kernel density estimator with the Gaussian kernel.Keywords: Deconvolution, kernel density estimator, support vector regression, weightedkernel density estimator.

Probability density estimation is the problem of inferring an underlying probability from a sampling of points. This study introduces smoothDE, an algorithm that uses Bayesian Field Theory to optimize non-parametric density estimation. smoothDE deterministically finds an optimal density function based on the probability of observed data, subject to a smoothing constraint and its associated prior probability. smoothDE's predicted densities have almost universally lower Kullback-Leibler divergences from simulated Gaussian Mixtures densities when compared to similar Bayesian Field Theory methods and Kernel Density Estimators. smoothDE was even able to outperform a specialized Bayesian Gaussian Mixture density estimator at lower samplings. smoothDE's ability to quickly fit arbitrary densities allowed it to be used as a preprocessing step for classification algorithm, in certain cases boosting classifier performance.

Recently, Jewson and Rossell (2022) proposed a new approach for kernel density estimation using an exponentiated form of kernel density estimators. The density estimator contained two hyperparameters that flexibly controls the smoothness of the resulting density. We tune them in a data-driven manner by minimizing an objective function based on the Hyvärinen score to avoid the optimization involving the intractable normalizing constant caused by the exponentiation. We show the asymptotic properties of the proposed estimator and emphasize the importance of including the two hyperparameters for flexible density estimation. Our simulation studies and application to income data show that the proposed density estimator is promising when the underlying density is multi-modal or when observations contain outliers.

In many data stream mining applications, traditional density estimation methods such as kernel density estimation, reduced set density estimation can not be applied to the density estimation of data streams because of their high computational burden, processing time and intensive memory allocation requirement. In order to reduce the time and space complexity, a novel density estimation method Dm-KDE over data streams based on the proposed algorithm m-KDE which can be used to design a KDE estimator with the fixed number of kernel components for a dataset is proposed. In this method, Dm-KDE sequence entries are created by algorithm m-KDE instead of all kernels obtained from other density estimation methods. In order to further reduce the storage space, Dm-KDE sequence entries can be merged by calculating their KL divergences. Finally, the probability density functions over arbitrary time or entire time can be estimated through the obtained estimation model. In contrast to the state-of-the-art algorithm SOMKE, the distinctive advantage of the proposed algorithm Dm-KDE exists in that it can achieve the same accuracy with much less fixed number of kernel components such that it is suitable for the scenarios where higher on-line computation about the kernel density estimation over data streams is required.We compare Dm-KDE with SOMKE and M-kernel in terms of density estimation accuracy and running time for various stationary datasets. We also apply Dm-KDE to evolving data streams. Experimental results illustrate the effectiveness of the proposed method.

Kernel Density Estimators (KDEs) are a non-parametric density estimation technique that has recently been applied to Monte Carlo radiation transport simulations. Kernel density estimators are an alternative to histogram tallies for obtaining global solutions in Monte Carlo tallies. With KDEs, a single event, either a collision or particle track, can contribute to the score at multiple tally points with the uncertainty at those points being independent of the desired resolution of the solution. Thus, KDEs show potential for obtaining estimates of a global solution with reduced variance when compared to a histogram. Previously, KDEs have been applied to neutronics for one-group reactor physics problems and fixed source shielding applications. However, little work was done to obtain reaction rates using KDEs. This paper introduces a new form of the MFP KDE that is capable of handling general geometries. Furthermore, extending the MFP KDE to 2-D problems in continuous energy introduces inaccuracies to the solution. An ad-hoc solution to these inaccuracies is introduced that produces errors smaller than 4% at material interfaces.

In the linear model y = x′β + u where x is a regressor vector and E(u | x)= 0, we estimate β in E(y | x)= x′β However, the assumption of the linear model, or any nonlinear model for that matter, is a strong one. In nonparametric regression, we try to estimate E(y | x) without specifying the functional form. Since $$E(y{\kern 1pt} |{\kern 1pt} x) = \smallint y \cdot f(y|x)dy = \smallint y \cdot \{ f(y,x)/f(x)\} dy $$ (1.1) if we can estimate f(y, x) and f(x), we can also estimate E(y | x). In this chapter, we study nonparametric density estimation for x as a prelude to nonparametric regression in the next chapter. We will assume that x has a continuous density function f (x) If x is discrete, one can estimate P(x = x 0) either with the same estimation method used for the continuous case or with the number of observations with x i = x 0. There are several nonparametric density estimation methods available. The most popular is “kernel density estimation method” which we explore mainly. Other methods will be examined briefly in the last section. See Prakasa Rao (1983), Silverman (1986), Izenman (1991), Rosenblatt (1991) and Scott (1992) for more on nonparametric density estimation in general.

Nonparametric density estimation is a fundamental problem of statistics and data mining. Even though kernel density estimation is the most widely used method, its performance highly depends on the choice of the kernel bandwidth, and it can become computationally expensive for large data sets. We present an adaptive sparse-grid-based density estimation method which discretizes the estimated density function on basis functions centered at grid points rather than on kernels centered at the data points. Thus, the costs of evaluating the estimated density function are independent from the number of data points. We give details on how to estimate density functions on sparse grids and develop a cross validation technique for the parameter selection. We show numerical results to confirm that our sparse-grid-based method is well-suited for large data sets, and, finally, employ our method for the classification of astronomical objects to demonstrate that it is competitive to current kernel-based density estimation approaches with respect to classification accuracy and runtime.