Multi-Target Prediction: A Unifying View on Problems and Methods

Multi-target prediction (MTP) is concerned with the simultaneous prediction of multiple target variables of diverse type. Due to its enormous application potential, it has developed into an active and rapidly expanding research field that combines several subfields of machine learning, including multivariate regression, multi-label classification, multi-task learning, dyadic prediction, zero-shot learning, network inference, and matrix completion. In this paper, we present a unifying view on MTP problems and methods. First, we formally discuss commonalities and differences between existing MTP problems. To this end, we introduce a general framework that covers the above subfields as special cases. As a second contribution, we provide a structured overview of MTP methods. This is accomplished by identifying a number of key properties, which distinguish such methods and determine their suitability for different types of problems. Finally, we also discuss a few challenges for future research

Hashing for Similarity Search: A Survey

Similarity search (nearest neighbor search) is a problem of pursuing the data items whose distances to a query item are the smallest from a large database. Various methods have been developed to address this problem, and recently a lot of efforts have been devoted to approximate search. In this paper, we present a survey on one of the main solutions, hashing, which has been widely studied since the pioneering work locality sensitive hashing. We divide the hashing algorithms two main categories: locality sensitive hashing, which designs hash functions without exploring the data distribution and learning to hash, which learns hash functions according the data distribution, and review them from various aspects, including hash function design and distance measure and search scheme in the hash coding space

Large-Margin Determinantal Point Processes

Determinantal point processes (DPPs) offer a powerful approach to modeling diversity in many applications where the goal is to select a diverse subset. We study the problem of learning the parameters (the kernel matrix) of a DPP from labeled training data. We make two contributions. First, we show how to reparameterize a DPP's kernel matrix with multiple kernel functions, thus enhancing modeling flexibility. Second, we propose a novel parameter estimation technique based on the principle of large margin separation. In contrast to the state-of-the-art method of maximum likelihood estimation, our large-margin loss function explicitly models errors in selecting the target subsets, and it can be customized to trade off different types of errors (precision vs. recall). Extensive empirical studies validate our contributions, including applications on challenging document and video summarization, where flexibility in modeling the kernel matrix and balancing different errors is indispensable.Comment: 15 page

A study of hierarchical and flat classification of proteins

Automatic classification of proteins using machine learning is an important problem that has received significant attention in the literature. One feature of this problem is that expert-defined hierarchies of protein classes exist and can potentially be exploited to improve classification performance. In this article we investigate empirically whether this is the case for two such hierarchies. We compare multi-class classification techniques that exploit the information in those class hierarchies and those that do not, using logistic regression, decision trees, bagged decision trees, and support vector machines as the underlying base learners. In particular, we compare hierarchical and flat variants of ensembles of nested dichotomies. The latter have been shown to deliver strong classification performance in multi-class settings. We present experimental results for synthetic, fold recognition, enzyme classification, and remote homology detection data. Our results show that exploiting the class hierarchy improves performance on the synthetic data, but not in the case of the protein classification problems. Based on this we recommend that strong flat multi-class methods be used as a baseline to establish the benefit of exploiting class hierarchies in this area

A Survey on Metric Learning for Feature Vectors and Structured Data

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.Comment: Technical report, 59 pages. Changes in v2: fixed typos and improved presentation. Changes in v3: fixed typos. Changes in v4: fixed typos and new method

Geometry- and Accuracy-Preserving Random Forest Proximities with Applications

Many machine learning algorithms use calculated distances or similarities between data observations to make predictions, cluster similar data, visualize patterns, or generally explore the data. Most distances or similarity measures do not incorporate known data labels and are thus considered unsupervised. Supervised methods for measuring distance exist which incorporate data labels and thereby exaggerate separation between data points of different classes. This approach tends to distort the natural structure of the data. Instead of following similar approaches, we leverage a popular algorithm used for making data-driven predictions, known as random forests, to naturally incorporate data labels into similarity measures known as random forest proximities. In this dissertation, we explore previously defined random forest proximities and demonstrate their weaknesses in popular proximity-based applications. Additionally, we develop a new proximity definition that can be used to recreate the random forest’s predictions. We call these random forest-geometry-and accuracy-Preserving proximities or RF-GAP. We show by proof and empirical demonstration can be used to perfectly reconstruct the random forest’s predictions and, as a result, we argue that RF-GAP proximities provide a truer representation of the random forest’s learning when used in proximity-based applications. We provide evidence to suggest that RF-GAP proximities improve applications including imputing missing data, detecting outliers, and visualizing the data. We also introduce a new random forest proximity-based technique that can be used to generate 2- or 3-dimensional data representations which can be used as a tool to visually explore the data. We show that this method does well at portraying the relationship between data variables and the data labels. We show quantitatively and qualitatively that this method surpasses other existing methods for this task