When using the K-nearest neighbors method, one often ignores uncertainty in the choice of K. To account for such uncertainty, Holmes and Adams (2002) proposed a Bayesian framework for K-nearest neighbors (KNN). Their Bayesian KNN (BKNN) approach uses a pseudo-likelihood function, and standard Markov chain Monte Carlo (MCMC) techniques to draw posterior samples. Holmes and Adams (2002) focused on the performance of BKNN in terms of misclassification error but did not assess its ability to quantify uncertainty. We present some evidence to show that BKNN still significantly underestimates model uncertainty.

Dimensionality reduction is a topic of recent interest. In this paper, we present the classification constrained dimensionality reduction (CCDR) algorithm to account for label information. The algorithm can account for multiple classes as well as the semi-supervised setting. We present an out-of-sample expressions for both labeled and unlabeled data. For unlabeled data, we introduce a method of embedding a new point as preprocessing to a classifier. For labeled data, we introduce a method that improves the embedding during the training phase using the out-of-sample extension. We investigate classification performance using the CCDR algorithm on hyper-spectral satellite imagery data. We demonstrate the performance gain for both local and global classifiers and demonstrate a 10% improvement of the $k$-nearest neighbors algorithm performance. We present a connection between intrinsic dimension estimation and the optimal embedding dimension obtained using the CCDR algorithm.

Metric learning has been shown to significantly improve the accuracy of k-nearest neighbor (kNN) classification. In problems involving thousands of features, distance learning algorithms cannot be used due to overfitting and high computational complexity. In such cases, previous work has relied on a two-step solution: first apply dimensionality reduction methods to the data, and then learn a metric in the resulting low-dimensional subspace. In this paper we show that better classification performance can be achieved by unifying the objectives of dimensionality reduction and metric learning. We propose a method that solves for the low-dimensional projection of the inputs, which minimizes a metric objective aimed at separating points in different classes by a large margin. This projection is defined by a significantly smaller number of parameters than metrics learned in input space, and thus our optimization reduces the risks of overfitting. Theory and results are presented for both a linear as well as a kernelized version of the algorithm. Overall, we achieve classification rates similar, and in several cases superior, to those of support vector machines.

We introduce a novel adaptive nonparametric anomaly detection approach, called GEM, that is based on the minimal covering properties of K-point entropic graphs when constructed on N training samples from a nominal probability distribution. Such graphs have the property that as N their span recovers the entropy minimizing set that supports at least ρ K/N(100)% of the mass of the Lebesgue part of the distribution. When a test sample falls outside of the entropy minimizing set an anomaly can be declared at a statistical level of significance α 1 ρ. A method for implementing this nonparametric anomaly detector is proposed that approximates this minimum entropy set by the influence region of a K-point entropic graph built on the training data. By implementing an incremental leave-one-out k-nearest neighbor graph on resampled subsets of the training data GEM can efficiently detect outliers at a given level of significance and compute their empirical p-values. We illustrate GEM for several simulated and real data sets in high dimensional feature spaces.

Metric learning has been shown to significantly improve the accuracy of k-nearest neighbor (kNN) classification. In problems involving thousands of features, distance learning algorithms cannot be used due to overfitting and high computational complexity. In such cases, previous work has relied on a two-step solution: first apply dimensionality reduction methods to the data, and then learn a metric in the resulting low-dimensional subspace. In this paper we show that better classification performance can be achieved by unifying the objectives of dimensionality reduction and metric learning. We propose a method that solves for the low-dimensional projection of the inputs, which minimizes a metric objective aimed at separating points in different classes by a large margin. This projection is defined by a significantly smaller number of parameters than metrics learned in input space, and thus our optimization reduces the risks of overfitting. Theory and results are presented for both a linear as well as a kernelized version of the algorithm. Overall, we achieve classification rates similar, and in several cases superior, to those of support vector machines.

We introduce a novel adaptive nonparametric anomaly detection approach, called GEM, that is based on the minimal covering properties of K-point entropic graphs when constructed on N training samples from a nominal probability distribution. Such graphs have the property that as N their span recovers the entropy minimizing set that supports at least ρ K/N(100)% of the mass of the Lebesgue part of the distribution. When a test sample falls outside of the entropy minimizing set an anomaly can be declared at a statistical level of significance α 1 ρ. A method for implementing this nonparametric anomaly detector is proposed that approximates this minimum entropy set by the influence region of a K-point entropic graph built on the training data. By implementing an incremental leave-one-out k-nearest neighbor graph on resampled subsets of the training data GEM can efficiently detect outliers at a given level of significance and compute their empirical p-values. We illustrate GEM for several simulated and real data sets in high dimensional feature spaces.

We introduce a novel adaptive nonparametric anomaly detection approach, called GEM, that is based on the minimal covering properties of K-point entropic graphs when constructed on N training samples from a nominal probability distribution. Suchgraphs have the property that as N their span recovers the entropy minimizing set that supports at least ρ K/N(100)% of the mass of the Lebesgue part of the distribution. When a test sample falls outside of the entropy minimizing set an anomaly can be declared at a statistical level of significance α 1 ρ. A method for implementing this nonparametric anomaly detector is proposed that approximates this minimum entropy set by the influence region of a K-point entropic graph built on the training data. By implementing an incremental leave-one-out k-nearest neighbor graph on resampled subsets of the training data GEM can efficiently detect outliers at a given level of significance and compute their empirical p-values. We illustrate GEM for several simulated and real data sets in high dimensional feature spaces.

We introduce a new principle for model selection in regression and classification. Many regression models are controlled by some smoothness or flexibility or complexity parameter c, e.g. the number of neighbors to be averaged over in k nearest neighbor (kNN) regression or the polynomial degree in regression with polynomials. Let f_D^c be the (best) regressor of complexity c on data D. A more flexible regressor can fit more data D' well than a more rigid one. If something (here small loss) is easy to achieve it's typically worth less. We define the loss rank of f_D^c as the number of other (fictitious) data D' that are fitted better by f_D'^c than D is fitted by f_D^c. We suggest selecting the model complexity c that has minimal loss rank (LoRP). Unlike most penalized maximum likelihood variants (AIC,BIC,MDL), LoRP only depends on the regression function and loss function. It works without a stochastic noise model, and is directly applicable to any non-parametric regressor, like kNN. In this paper we formalize, discuss, and motivate LoRP, study it for specific regression problems, in particular linear ones, and compare it to other model selection schemes.

We show how to learn a Mahanalobis distance metric for k-nearest neighbor (kNN) classification by semidefinite programming. The metric is trained with the goal that the k-nearest neighbors always belong to the same class while examples from different classes are separated by a large margin. On seven data sets of varying size and difficulty, we find that metrics trained in this way lead to significant improvements in kNN classification--for example, achieving a test error rate of 1.3% on the MNIST handwritten digits. As in support vector machines (SVMs), the learning problem reduces to a convex optimization based on the hinge loss. Unlike learning in SVMs, however, our framework requires no modification or extension for problems in multiway (as opposed to binary) classification.

We present a nonlinear, simple, yet effective, feature subset selection method for regression and use it in analyzing cortical neural activity. Our algorithm involves a feature-weighted version of the k-nearest-neighbor algorithm. It is able to capture complex dependency of the target function on its input and makes use of the leave-one-out error as a natural regularization. We explain the characteristics of our algorithm on synthetic problems and use it in the context of predicting hand velocity from spikes recorded in motor cortex of a behaving monkey. By applying feature selection we are able to improve prediction quality and suggest a novel way of exploring neural data.