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 outlyingness


Localized Kernel Projection Outlyingness: A Two-Stage Approach for Multi-Modal Outlier Detection

arXiv.org Machine Learning

This paper presents Two-Stage LKPLO, a novel multi-stage outlier detection framework that overcomes the coexisting limitations of conventional projection-based methods: their reliance on a fixed statistical metric and their assumption of a single data structure. Our framework uniquely synthesizes three key concepts: (1) a generalized loss-based outlyingness measure (PLO) that replaces the fixed metric with flexible, adaptive loss functions like our proposed SVM-like loss; (2) a global kernel PCA stage to linearize non-linear data structures; and (3) a subsequent local clustering stage to handle multi-modal distributions. Comprehensive 5-fold cross-validation experiments on 10 benchmark datasets, with automated hyperparameter optimization, demonstrate that Two-Stage LKPLO achieves state-of-the-art performance. It significantly outperforms strong baselines on datasets with challenging structures where existing methods fail, most notably on multi-cluster data (Optdigits) and complex, high-dimensional data (Arrhythmia). Furthermore, an ablation study empirically confirms that the synergistic combination of both the kernelization and localization stages is indispensable for its superior performance. This work contributes a powerful new tool for a significant class of outlier detection problems and underscores the importance of hybrid, multi-stage architectures.


Kernel Outlier Detection

arXiv.org Machine Learning

A new anomaly detection method called kernel outlier detection (KOD) is proposed. It is designed to address challenges of outlier detection in high-dimensional settings. The aim is to overcome limitations of existing methods, such as dependence on distributional assumptions or on hyperparameters that are hard to tune. KOD starts with a kernel transformation, followed by a projection pursuit approach. Its novelties include a new ensemble of directions to search over, and a new way to combine results of different direction types. This provides a flexible and lightweight approach for outlier detection. Our empirical evaluations illustrate the effectiveness of KOD on three small datasets with challenging structures, and on four large benchmark datasets.


Sorting out typicality with the inverse moment matrix SOS polynomial

Neural Information Processing Systems

We study a surprising phenomenon related to the representation of a cloud of data points using polynomials. We start with the previously unnoticed empirical observation that, given a collection (a cloud) of data points, the sublevel sets of a certain distinguished polynomial capture the shape of the cloud very accurately. This distinguished polynomial is a sum-of-squares (SOS) derived in a simple manner from the inverse of the empirical moment matrix. In fact, this SOS polynomial is directly related to orthogonal polynomials and the Christoffel function. This allows to generalize and interpret extremality properties of orthogonal polynomials and to provide a mathematical rationale for the observed phenomenon. Among diverse potential applications, we illustrate the relevance of our results on a network intrusion detection task for which we obtain performances similar to existing dedicated methods reported in the literature.


Differentially private projection-depth-based medians

arXiv.org Artificial Intelligence

We develop $(\epsilon,\delta)$-differentially private projection-depth-based medians using the propose-test-release (PTR) and exponential mechanisms. Under general conditions on the input parameters and the population measure, (e.g. we do not assume any moment bounds), we quantify the probability the test in PTR fails, as well as the cost of privacy via finite sample deviation bounds. We demonstrate our main result on the canonical projection-depth-based median. In the Gaussian setting, we show that the resulting deviation bound matches the known lower bound for private Gaussian mean estimation, up to a polynomial function of the condition number of the covariance matrix. In the Cauchy setting, we show that the ``outlier error amplification'' effect resulting from the heavy tails outweighs the cost of privacy. This result is then verified via numerical simulations. Additionally, we present results on general PTR mechanisms and a uniform concentration result on the projected spacings of order statistics.


Statistical Barriers to Affine-equivariant Estimation

arXiv.org Artificial Intelligence

We investigate the quantitative performance of affine-equivariant estimators for robust mean estimation. As a natural stability requirement, the construction of such affine-equivariant estimators has been extensively studied in the statistics literature. We quantitatively evaluate these estimators under two outlier models which have been the subject of much recent work: the heavy-tailed and adversarial corruption settings. We establish lower bounds which show that affine-equivariance induces a strict degradation in recovery error with quantitative rates degrading by a factor of $\sqrt{d}$ in both settings. We find that classical estimators such as the Tukey median (Tukey '75) and Stahel-Donoho estimator (Stahel '81 and Donoho '82) are either quantitatively sub-optimal even within the class of affine-equivariant estimators or lack any quantitative guarantees. On the other hand, recent estimators with strong quantitative guarantees are not affine-equivariant or require additional distributional assumptions to achieve it. We remedy this by constructing a new affine-equivariant estimator which nearly matches our lower bound. Our estimator is based on a novel notion of a high-dimensional median which may be of independent interest. Notably, our results are applicable more broadly to any estimator whose performance is evaluated in the Mahalanobis norm which, for affine-equivariant estimators, corresponds to an evaluation in Euclidean norm on isotropic distributions.


Multivariate outlier explanations using Shapley values and Mahalanobis distances

arXiv.org Machine Learning

For the purpose of explaining multivariate outlyingness, it is shown that the squared Mahalanobis distance of an observation can be decomposed into outlyingness contributions originating from single variables. The decomposition is obtained using the Shapley value, a well-known concept from game theory that became popular in the context of Explainable AI. In addition to outlier explanation, this concept also relates to the recent formulation of cellwise outlyingness, where Shapley values can be employed to obtain variable contributions for outlying observations with respect to their "expected" position given the multivariate data structure. In combination with squared Mahalanobis distances, Shapley values can be calculated at a low numerical cost, making them even more attractive for outlier interpretation. Simulations and real-world data examples demonstrate the usefulness of these concepts.


Test for non-negligible adverse shifts

arXiv.org Machine Learning

Statistical tests for dataset shift are susceptible to false alarms: they are sensitive to minor differences where there is in fact adequate sample coverage and predictive performance. We propose instead a robust framework for tests of dataset shift based on outlier scores, D-SOS for short. D-SOS detects adverse shifts and can identify false alarms caused by benign ones. It posits that a new (test) sample is not substantively worse than an old (training) sample, and not that the two are equal. The key idea is to reduce observations to outlier scores and compare contamination rates. Beyond comparing distributions, users can define what worse means in terms of predictive performance and other relevant notions. We show how versatile and practical D-SOS is for a wide range of real and simulated datasets. Unlike tests of equal distribution and of goodness-of-fit, the D-SOS tests are uniquely tailored to serve as robust performance metrics to monitor model drift and dataset shift.


Non-asymptotic analysis and inference for an outlyingness induced winsorized mean

arXiv.org Machine Learning

Robust estimation of a mean vector, a topic regarded as obsolete in the traditional robust statistics community, has recently surged in machine learning literature in the last decade. The latest focus is on the sub-Gaussian performance and computability of the estimators in a non-asymptotic setting. Numerous traditional robust estimators are computationally intractable, which partly contributes to the renewal of the interest in the robust mean estimation. Robust centrality estimators, however, include the trimmed mean and the sample median. The latter has the best robustness but suffers a low-efficiency drawback. Trimmed mean and median of means, %as robust alternatives to the sample mean, and achieving sub-Gaussian performance have been proposed and studied in the literature. This article investigates the robustness of leading sub-Gaussian estimators of mean and reveals that none of them can resist greater than $25\%$ contamination in data and consequently introduces an outlyingness induced winsorized mean which has the best possible robustness (can resist up to $50\%$ contamination without breakdown) meanwhile achieving high efficiency. Furthermore, it has a sub-Gaussian performance for uncontaminated samples and a bounded estimation error for contaminated samples at a given confidence level in a finite sample setting. It can be computed in linear time.


An Outlyingness Matrix for Multivariate Functional Data Classification

arXiv.org Machine Learning

The classification of multivariate functional data is an important task in scientific research. Unlike point-wise data, functional data are usually classified by their shapes rather than by their scales. We define an outlyingness matrix by extending directional outlyingness, an effective measure of the shape variation of curves that combines the direction of outlyingness with conventional depth. We propose two classifiers based on directional outlyingness and the outlyingness matrix, respectively. Our classifiers provide better performance compared with existing depth-based classifiers when applied on both univariate and multivariate functional data from simulation studies. We also test our methods on two data problems: speech recognition and gesture classification, and obtain results that are consistent with the findings from the simulated data.


Sorting out typicality with the inverse moment matrix SOS polynomial

Neural Information Processing Systems

We study a surprising phenomenon related to the representation of a cloud of data points using polynomials. We start with the previously unnoticed empirical observation that, given a collection (a cloud) of data points, the sublevel sets of a certain distinguished polynomial capture the shape of the cloud very accurately. This distinguished polynomial is a sum-of-squares (SOS) derived in a simple manner from the inverse of the empirical moment matrix. In fact, this SOS polynomial is directly related to orthogonal polynomials and the Christoffel function. This allows to generalize and interpret extremality properties of orthogonal polynomials and to provide a mathematical rationale for the observed phenomenon. Among diverse potential applications, we illustrate the relevance of our results on a network intrusion detection task for which we obtain performances similar to existing dedicated methods reported in the literature.