This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.It is available as a free download under a Creative Commons license. You are free to share the book, translate it, or remix it. Before you is a tool for learning basic data mining techniques. Most data mining textbooks focus on providing a theoretical foundation for data mining, and as result, may seem notoriously difficult to understand. Don't get me wrong, the information in those books is extremely important.

We consider the problem of embedding unweighted, directed k-nearest neighbor graphs in low-dimensional Euclidean space. The k-nearest neighbors of each vertex provides ordinal information on the distances between points, but not the distances themselves. We use this ordinal information along with the low-dimensionality to recover the coordinates of the points up to arbitrary similarity transformations (rigid transformations and scaling). Furthermore, we also illustrate the possibility of robustly recovering the underlying density via the Total Variation Maximum Penalized Likelihood Estimation (TV-MPLE) method. We make existing approaches scalable by using an instance of a local-to-global algorithm based on group synchronization, recently proposed in the literature in the context of sensor network localization and structural biology, which we augment with a scaling synchronization step. We demonstrate the scalability of our approach on large graphs, and show how it compares to the Local Ordinal Embedding (LOE) algorithm, which was recently proposed for recovering the configuration of a cloud of points from pairwise ordinal comparisons between a sparse set of distances.

We compare and contrast two approaches to validating a trained classifier while using all in-sample data for training. One is simultaneous validation over an organized set of hypotheses (SVOOSH), the well-known method that began with VC theory. The other is withhold and gap (WAG). WAG withholds a validation set, trains a holdout classifier on the remaining data, uses the validation data to validate that classifier, then adds the rate of disagreement between the holdout classifier and one trained using all in-sample data, which is an upper bound on the difference in error rates. We show that complex hypothesis classes and limited training data can make WAG a favorable alternative.

The stability of statistical analysis is an important indicator for reproducibility, which is one main principle of scientific method. It entails that similar statistical conclusions can be reached based on independent samples from the same underlying population. In this paper, we introduce a general measure of classification instability (CIS) to quantify the sampling variability of the prediction made by a classification method. Interestingly, the asymptotic CIS of any weighted nearest neighbor classifier turns out to be proportional to the Euclidean norm of its weight vector. Based on this concise form, we propose a stabilized nearest neighbor (SNN) classifier, which distinguishes itself from other nearest neighbor classifiers, by taking the stability into consideration. In theory, we prove that SNN attains the minimax optimal convergence rate in risk, and a sharp convergence rate in CIS. The latter rate result is established for general plug-in classifiers under a low-noise condition. Extensive simulated and real examples demonstrate that SNN achieves a considerable improvement in CIS over existing nearest neighbor classifiers, with comparable classification accuracy. We implement the algorithm in a publicly available R package snn.

Covariance and histogram image descriptors provide an effective way to capture information about images. Both excel when used in combination with special purpose distance metrics. For covariance descriptors these metrics measure the distance along the non-Euclidean Riemannian manifold of symmetric positive definite matrices. For histogram descriptors the Earth Mover's distance measures the optimal transport between two histograms. Although more precise, these distance metrics are very expensive to compute, making them impractical in many applications, even for data sets of only a few thousand examples. In this paper we present two methods to compress the size of covariance and histogram datasets with only marginal increases in test error for k-nearest neighbor classification. Specifically, we show that we can reduce data sets to 16% and in some cases as little as 2% of their original size, while approximately matching the test error of kNN classification on the full training set. In fact, because the compressed set is learned in a supervised fashion, it sometimes even outperforms the full data set, while requiring only a fraction of the space and drastically reducing test-time computation.

We demonstrate that a popular class of nonparametric mutual information (MI) estimators based on k-nearest-neighbor graphs requires number of samples that scales exponentially with the true MI. Consequently, accurate estimation of MI between two strongly dependent variables is possible only for prohibitively large sample size. This important yet overlooked shortcoming of the existing estimators is due to their implicit reliance on local uniformity of the underlying joint distribution. We introduce a new estimator that is robust to local non-uniformity, works well with limited data, and is able to capture relationship strengths over many orders of magnitude. We demonstrate the superior performance of the proposed estimator on both synthetic and real-world data.

A relatively recent advance in cognitive neuroscience has been multi-voxel pattern analysis (MVPA), which enables researchers to decode brain states and/or the type of information represented in the brain during a cognitive operation. MVPA methods utilize machine learning algorithms to distinguish among types of information or cognitive states represented in the brain, based on distributed patterns of neural activity. In the current investigation, we propose a new approach for representation of neural data for pattern analysis, namely a Mesh Learning Model. In this approach, at each time instant, a star mesh is formed around each voxel, such that the voxel corresponding to the center node is surrounded by its p-nearest neighbors. The arc weights of each mesh are estimated from the voxel intensity values by least squares method. The estimated arc weights of all the meshes, called Mesh Arc Descriptors (MADs), are then used to train a classifier, such as Neural Networks, k-Nearest Neighbor, Na\"ive Bayes and Support Vector Machines. The proposed Mesh Model was tested on neuroimaging data acquired via functional magnetic resonance imaging (fMRI) during a recognition memory experiment using categorized word lists, employing a previously established experimental paradigm (\"Oztekin & Badre, 2011). Results suggest that the proposed Mesh Learning approach can provide an effective algorithm for pattern analysis of brain activity during cognitive processing.

We formulate the problem of metric learning for k nearest neighbor classification as a large margin structured prediction problem, with a latent variable representing the choice of neighbors and the task loss directly corresponding to classification error. We describe an efficient algorithm for exact loss augmented inference, and a fast gradient descent algorithm for learning in this model. The objective drives the metric to establish neighborhood boundaries that benefit the true class labels for the training points. Our approach, reminiscent of gerrymandering (redrawing of political boundaries to provide advantage to certain parties), is more direct in its handling of optimizing classification accuracy than those previously proposed. In experiments on a variety of data sets our method is shown to achieve excellent results compared to current state of the art in metric learning.

Given an $n$-sample of random vectors $(X_i,Y_i)_{1 \leq i \leq n}$ whose joint law is unknown, the long-standing problem of supervised classification aims to \textit{optimally} predict the label $Y$ of a given a new observation $X$. In this context, the nearest neighbor rule is a popular flexible and intuitive method in non-parametric situations. Even if this algorithm is commonly used in the machine learning and statistics communities, less is known about its prediction ability in general finite dimensional spaces, especially when the support of the density of the observations is $\mathbb{R}^d$. This paper is devoted to the study of the statistical properties of the nearest neighbor rule in various situations. In particular, attention is paid to the marginal law of $X$, as well as the smoothness and margin properties of the \textit{regression function} $\eta(X) = \mathbb{E}[Y | X]$. We identify two necessary and sufficient conditions to obtain uniform consistency rates of classification and to derive sharp estimates in the case of the nearest neighbor rule. Some numerical experiments are proposed at the end of the paper to help illustrate the discussion.

Not all instances in a data set are equally beneficial for inducing a model of the data. Some instances (such as outliers or noise) can be detrimental. However, at least initially, the instances in a data set are generally considered equally in machine learning algorithms. Many current approaches for handling noisy and detrimental instances make a binary decision about whether an instance is detrimental or not. In this paper, we 1) extend this paradigm by weighting the instances on a continuous scale and 2) present a methodology for measuring how detrimental an instance may be for inducing a model of the data. We call our method of identifying and weighting detrimental instances reduced detrimental instance learning (RDIL). We examine RIDL on a set of 54 data sets and 5 learning algorithms and compare RIDL with other weighting and filtering approaches. RDIL is especially useful for learning algorithms where every instance can affect the classification boundary and the training instances are considered individually, such as multilayer perceptrons trained with backpropagation (MLPs). Our results also suggest that a more accurate estimate of which instances are detrimental can have a significant positive impact for handling them.