The need for appropriate ways to measure the distance or similarity between data is ubiquitous in machine learning, pattern recognition and data mining, but handcrafting such good metrics for specific problems is generally difficult. This has led to the emergence of metric learning, which aims at automatically learning a metric from data and has attracted a lot of interest in machine learning and related fields for the past ten years. This survey paper proposes a systematic review of the metric learning literature, highlighting the pros and cons of each approach. We pay particular attention to Mahalanobis distance metric learning, a well-studied and successful framework, but additionally present a wide range of methods that have recently emerged as powerful alternatives, including nonlinear metric learning, similarity learning and local metric learning. Recent trends and extensions, such as semi-supervised metric learning, metric learning for histogram data and the derivation of generalization guarantees, are also covered. Finally, this survey addresses metric learning for structured data, in particular edit distance learning, and attempts to give an overview of the remaining challenges in metric learning for the years to come.

In multiple instance learning, objects are sets (bags) of feature vectors (instances) rather than individual feature vectors. In this paper we address the problem of how these bags can best be represented. Two standard approaches are to use (dis)similarities between bags and prototype bags, or between bags and prototype instances. The first approach results in a relatively low-dimensional representation determined by the number of training bags, while the second approach results in a relatively high-dimensional representation, determined by the total number of instances in the training set. In this paper a third, intermediate approach is proposed, which links the two approaches and combines their strengths. Our classifier is inspired by a random subspace ensemble, and considers subspaces of the dissimilarity space, defined by subsets of instances, as prototypes. We provide guidelines for using such an ensemble, and show state-of-the-art performances on a range of multiple instance learning problems.

In this paper we present active learning algorithms in the context of structured prediction problems. To reduce the amount of labeling necessary to learn good models, our algorithms only label subsets of the output. To this end, we query examples using entropies of local marginals, which are a good surrogate for uncertainty. We demonstrate the effectiveness of our approach in the task of 3D layout prediction from single images, and show that good models are learned when labeling only a handful of random variables. In particular, the same performance as using the full training set can be obtained while only labeling ~10\% of the random variables.

Our focus is on approximate nearest neighbor retrieval in metric and non-metric spaces. We employ a VP-tree and explore two simple yet effective learning-to prune approaches: density estimation through sampling and “stretching” of the triangle inequality. Both methods are evaluated using data sets with metric (Euclidean) and non-metric (KL-divergence and Itakura-Saito) distance functions. Conditions on spaces where the VP-tree is applicable are discussed. The VP-tree with a learned pruner is compared against the recently proposed state-of-the-art approaches: the bbtree, the multi-probe locality sensitive hashing (LSH), and permutation methods. Our method was competitive against state-of-the-art methods and, in most cases, was more efficient for the same rank approximation quality.

We consider the problem of embedding entities and relationships of multi-relational data in low-dimensional vector spaces. Our objective is to propose a canonical model which is easy to train, contains a reduced number of parameters and can scale up to very large databases. Hence, we propose, TransE, a method which models relationships by interpreting them as translations operating on the low-dimensional embeddings of the entities. Despite its simplicity, this assumption proves to be powerful since extensive experiments show that TransE significantly outperforms state-of-the-art methods in link prediction on two knowledge bases. Besides, it can be successfully trained on a large scale data set with 1M entities, 25k relationships and more than 17M training samples.

Problems in machine learning (ML) can involve noisy input data, and ML classification methods have reached limiting accuracies when based on standard ML data sets consisting of feature vectors and their classes. Greater accuracy will require incorporation of prior structural information on data into learning. We study methods to regularize feature vectors (unsupervised regularization methods), analogous to supervised regularization for estimating functions in ML. We study regularization (denoising) of ML feature vectors using Tikhonov and other regularization methods for functions on ${\bf R}^n$. A feature vector ${\bf x}=(x_1,\ldots,x_n)=\{x_q\}_{q=1}^n$ is viewed as a function of its index $q$, and smoothed using prior information on its structure. This can involve a penalty functional on feature vectors analogous to those in statistical learning, or use of proximity (e.g. graph) structure on the set of indices. Such feature vector regularization inherits a property from function denoising on ${\bf R}^n$, in that accuracy is non-monotonic in the denoising (regularization) parameter $\alpha$. Under some assumptions about the noise level and the data structure, we show that the best reconstruction accuracy also occurs at a finite positive $\alpha$ in index spaces with graph structures. We adapt two standard function denoising methods used on ${\bf R}^n$, local averaging and kernel regression. In general the index space can be any discrete set with a notion of proximity, e.g. a metric space, a subset of ${\bf R}^n$, or a graph/network, with feature vectors as functions with some notion of continuity. We show this improves feature vector recovery, and thus the subsequent classification or regression done on them. We give an example in gene expression analysis for cancer classification with the genome as an index space and network structure based protein-protein interactions.

One-class classification (OCC) algorithms aim to build classification models when the negative class is either absent, poorly sampled or not well defined. This unique situation constrains the learning of efficient classifiers by defining class boundary just with the knowledge of positive class. The OCC problem has been considered and applied under many research themes, such as outlier/novelty detection and concept learning. In this paper we present a unified view of the general problem of OCC by presenting a taxonomy of study for OCC problems, which is based on the availability of training data, algorithms used and the application domains applied. We further delve into each of the categories of the proposed taxonomy and present a comprehensive literature review of the OCC algorithms, techniques and methodologies with a focus on their significance, limitations and applications. We conclude our paper by discussing some open research problems in the field of OCC and present our vision for future research.

The crucial importance of metrics in machine learning algorithms has led to an increasing interest in optimizing distance and similarity functions, an area of research known as metric learning. When data consist of feature vectors, a large body of work has focused on learning a Mahalanobis distance. Less work has been devoted to metric learning from structured objects (such as strings or trees), most of it focusing on optimizing a notion of edit distance. We identify two important limitations of current metric learning approaches. First, they allow to improve the performance of local algorithms such as k-nearest neighbors, but metric learning for global algorithms (such as linear classifiers) has not been studied so far. Second, the question of the generalization ability of metric learning methods has been largely ignored. In this thesis, we propose theoretical and algorithmic contributions that address these limitations. Our first contribution is the derivation of a new kernel function built from learned edit probabilities. Our second contribution is a novel framework for learning string and tree edit similarities inspired by the recent theory of (e,g,t)-good similarity functions. Using uniform stability arguments, we establish theoretical guarantees for the learned similarity that give a bound on the generalization error of a linear classifier built from that similarity. In our third contribution, we extend these ideas to metric learning from feature vectors by proposing a bilinear similarity learning method that efficiently optimizes the (e,g,t)-goodness. Generalization guarantees are derived for our approach, highlighting that our method minimizes a tighter bound on the generalization error of the classifier. Our last contribution is a framework for establishing generalization bounds for a large class of existing metric learning algorithms based on a notion of algorithmic robustness.

We present a system and a set of techniques for learning linear predictors with convex losses on terascale datasets, with trillions of features, {The number of features here refers to the number of non-zero entries in the data matrix.} billions of training examples and millions of parameters in an hour using a cluster of 1000 machines. Individually none of the component techniques are new, but the careful synthesis required to obtain an efficient implementation is. The result is, up to our knowledge, the most scalable and efficient linear learning system reported in the literature (as of 2011 when our experiments were conducted). We describe and thoroughly evaluate the components of the system, showing the importance of the various design choices.

Accurate and detailed measurement of an individual's physical activity is a key requirement for helping researchers understand the relationship between physical activity and health. Accelerometers have become the method of choice for measuring physical activity due to their small size, low cost, convenience and their ability to provide objective information about physical activity. However, interpreting accelerometer data once it has been collected can be challenging. In this work, we applied machine learning algorithms to the task of physical activity recognition from triaxial accelerometer data. We employed a simple but effective approach of dividing the accelerometer data into short non-overlapping windows, converting each window into a feature vector, and treating each feature vector as an i.i.d training instance for a supervised learning algorithm. In addition, we improved on this simple approach with a multi-scale ensemble method that did not need to commit to a single window size and was able to leverage the fact that physical activities produced time series with repetitive patterns and discriminative features for physical activity occurred at different temporal scales.