Visual exploration of high-dimensional real-valued datasets is a fundamental task in exploratory data analysis (EDA). Existing methods use predefined criteria to choose the representation of data. There is a lack of methods that (i) elicit from the user what she has learned from the data and (ii) show patterns that she does not know yet. We construct a theoretical model where identified patterns can be input as knowledge to the system. The knowledge syntax here is intuitive, such as "this set of points forms a cluster", and requires no knowledge of maths. This background knowledge is used to find a Maximum Entropy distribution of the data, after which the system provides the user data projections in which the data and the Maximum Entropy distribution differ the most, hence showing the user aspects of the data that are maximally informative given the user's current knowledge. We provide an open source EDA system with tailored interactive visualizations to demonstrate these concepts. We study the performance of the system and present use cases on both synthetic and real data. We find that the model and the prototype system allow the user to learn information efficiently from various data sources and the system works sufficiently fast in practice. We conclude that the information theoretic approach to exploratory data analysis where patterns observed by a user are formalized as constraints provides a principled, intuitive, and efficient basis for constructing an EDA system.
Dimensionality reduction for EDA has been studied for decades starting with multidimensional scaling (MDS) @cite_9 @cite_22 and projection pursuit @cite_33 @cite_31 . Recent research on this topic (referred to as manifold learning) is still inspired by MDS: find a low-dimensional embedding of points representing well the the distances in the high-dimensional space. In contrast to PCA @cite_23 , the idea is to preserve small distances, and large distances are irrelevant, as long as they remain large, e.g., Local Linear and (t-)Stochastic Neighbor Embedding @cite_14 @cite_16 @cite_30 . This is typically not possible to achieve perfectly, and a trade-off between precision and recall arises @cite_4 .
@cite_30 @cite_14 @cite_4 @cite_22 @cite_33 @cite_9 @cite_23 @cite_31 @cite_16
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Scientists working with large volumes of high-dimensional data, such as global climate patterns, stellar spectra, or human gene distributions, regularly confront the problem of dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. The human brain confronts the same problem in everyday perception, extracting from its high-dimensional sensory inputs—30,000 auditory nerve fibers or 106 optic nerve fibers—a manageably small number of perceptually relevant features. Here we describe an approach to solving dimensionality reduction problems that uses easily measured local metric information to learn the underlying global geometry of a data set. Unlike classical techniques such as principal component analysis (PCA) and multidimensional scaling (MDS), our approach is capable of discovering the nonlinear degrees of freedom that underlie complex natural observations, such as human handwriting or images of a face under different viewing conditions. In contrast to previous algorithms for nonlinear dimensionality reduction, ours efficiently computes a globally optimal solution, and, for an important class of data manifolds, is guaranteed to converge asymptotically to the true structure. Reducing the dimensionality of data without losing intrinsic information is an important preprocessing step in high-dimensional data analysis. Fisher discriminant analysis (FDA) is a traditional technique for supervised dimensionality reduction, but it tends to give undesired results if samples in a class are multimodal. An unsupervised dimensionality reduction method called locality-preserving projection (LPP) can work well with multimodal data due to its locality preserving property. However, since LPP does not take the label information into account, it is not necessarily useful in supervised learning scenarios. In this paper, we propose a new linear supervised dimensionality reduction method called local Fisher discriminant analysis (LFDA), which effectively combines the ideas of FDA and LPP. LFDA has an analytic form of the embedding transformation and the solution can be easily computed just by solving a generalized eigenvalue problem. We demonstrate the practical usefulness and high scalability of the LFDA method in data visualization and classification tasks through extensive simulation studies. We also show that LFDA can be extended to non-linear dimensionality reduction scenarios by applying the kernel trick. The paper addresses large scale image retrieval with short vector representations. We study dimensionality reduction by Principal Component Analysis (PCA) and propose improvements to its different phases. We show and explicitly exploit relations between i) mean subtraction and the negative evidence, i.e., a visual word that is mutually missing in two descriptions being compared, and ii) the axis de-correlation and the co-occurrences phenomenon. Finally, we propose an effective way to alleviate the quantization artifacts through a joint dimensionality reduction of multiple vocabularies. The proposed techniques are simple, yet significantly and consistently improve over the state of the art on compact image representations. Complementary experiments in image classification show that the methods are generally applicable. We derive a least-squares formulation for MDDMp technique.A novel multi-label feature extraction algorithm is proposed.Our algorithm maximizes both feature variance and feature-label dependence.Experiments show that our algorithm is a competitive candidate. Dimensionality reduction is an important pre-processing procedure for multi-label classification to mitigate the possible effect of dimensionality curse, which is divided into feature extraction and selection. Principal component analysis (PCA) and multi-label dimensionality reduction via dependence maximization (MDDM) represent two mainstream feature extraction techniques for unsupervised and supervised paradigms. They produce many small and a few large positive eigenvalues respectively, which could deteriorate the classification performance due to an improper number of projection directions. It has been proved that PCA proposed primarily via maximizing feature variance is associated with a least-squares formulation. In this paper, we prove that MDDM with orthonormal projection directions also falls into the least-squares framework, which originally maximizes Hilbert-Schmidt independence criterion (HSIC). Then we propose a novel multi-label feature extraction method to integrate two least-squares formulae through a linear combination, which maximizes both feature variance and feature-label dependence simultaneously and thus results in a proper number of positive eigenvalues. Experimental results on eight data sets show that our proposed method can achieve a better performance, compared with other seven state-of-the-art multi-label feature extraction algorithms. Dimensionality reduction techniques are used for representing higher dimensional data by a more parsimonious and meaningful lower dimensional structure. In this paper we will study two such approaches, namely Carroll’s Parametric Mapping (abbreviated PARAMAP) (Shepard and Carroll, 1966) and Tenenbaum’s Isometric Mapping (abbreviated Isomap) (Tenenbaum, de Silva, and Langford, 2000). The former relies on iterative minimization of a cost function while the latter applies classical MDS after a preprocessing step involving the use of a shortest path algorithm to define approximate geodesic distances. We will develop a measure of congruence based on preservation of local structure between the input data and the mapped low dimensional embedding, and compare the different approaches on various sets of data, including points located on the surface of a sphere, some data called the "Swiss Roll data", and truncated spheres. Dimensionality reduction involves mapping a set of high dimensional input points onto a low dimensional manifold so that 'similar" points in input space are mapped to nearby points on the manifold. We present a method - called Dimensionality Reduction by Learning an Invariant Mapping (DrLIM) - for learning a globally coherent nonlinear function that maps the data evenly to the output manifold. The learning relies solely on neighborhood relationships and does not require any distancemeasure in the input space. The method can learn mappings that are invariant to certain transformations of the inputs, as is demonstrated with a number of experiments. Comparisons are made to other techniques, in particular LLE. We give two different and simple constructions for dimensionality reduction in e2 via linear mappings that are sparse: only an O(e)-fraction of entries in each column of our embedding matrices are non-zero to achieve distortion 1 + e with high probability, while still achieving the asymptotically optimal number of rows. These are the first constructions to provide subconstant sparsity for all values of parameters, improving upon previous works of Achlioptas [2003] and [2010]. Such distributions can be used to speed up applications where e2 dimensionality reduction is used. We study the metric properties of finite subsets of L1. The analysis of such metrics is central to a number of important algorithmic problems involving the cut structure of weighted graphs, including the Sparsest Cut Problem, one of the most compelling open problems in the field of approximation algorithms. Additionally, many open questions in geometric non-linear functional analysis involve the properties of finite subsets of L1.We present some new observations concerning the relation of L1 to dimension, topology, and Euclidean distortion. We show that every n-point subset of L1 embeds into L2 with average distortion O(√log n), yielding the first evidence that the conjectured worst-case bound of O(√log n) is valid. We also address the issue of dimension reduction in Lp for p ∈ (1, 2). We resolve a question left open by M. Charikar and A. Sahai [Dimension reduction in the l1 norm, in: Proceedings of the 43rd Annual IEEE Conference on Foundations of Computer Science, ACM, 2002, pp. 251-260] concerning the impossibility of dimension reduction with a linear map in the above cases, and we show that a natural variant of the recent example of Brinkman and Charikar [On the impossibility of dimension reduction in l1, in: Proceedings of the 44th Annual IEEE Conference on Foundations of Computer Science, ACM, 2003, pp. 514-523], cannot be used to prove a lower bound for the non-linear case. This is acomplished by exhibiting constant-distortion embeddings of snowflaked planar metrics into Euclidean space. The problem of dimensionality reduction arises in many fields of information processing, including machine learning, data compression, scientific visualization, pattern recognition, and neural computation. Here we describe locally linear embedding (LLE), an unsupervised learning algorithm that computes low dimensional, neighborhood preserving embeddings of high dimensional data. The data, assumed to be sampled from an underlying manifold, are mapped into a single global coordinate system of lower dimensionality. The mapping is derived from the symmetries of locally linear reconstructions, and the actual computation of the embedding reduces to a sparse eigenvalue problem. Notably, the optimizations in LLE---though capable of generating highly nonlinear embeddings---are simple to implement, and they do not involve local minima. In this paper, we describe the implementation of the algorithm in detail and discuss several extensions that enhance its performance. We present results of the algorithm applied to data sampled from known manifolds, as well as to collections of images of faces, lips, and handwritten digits. These examples are used to provide extensive illustrations of the algorithm's performance---both successes and failures---and to relate the algorithm to previous and ongoing work in nonlinear dimensionality reduction. Numerous methods or algorithms have been designed to solve the problem of nonlinear dimensionality reduction (NLDR). However, very few among them are able to embed efficiently 'circular' manifolds like cylinders or tori, which have one or more essential loops. This paper presents a simple and fast procedure that can tear or cut those manifolds, i.e. break their essential loops, in order to make their embedding in a low-dimensional space easier. The key idea is the following: starting from the available data points, the tearing procedure represents the underlying manifold by a graph and then builds a maximum subgraph with no loops anymore. Because it works with a graph, the procedure can preprocess data for all NLDR techniques that uses the same representation. Recent techniques using geodesic distances (Isomap, geodesic Sammon's mapping, geodesic CCA, etc.) or K-ary neighborhoods (LLE, hLLE, Laplacian eigenmaps) fall in that category. After describing the tearing procedure in details, the paper comments a few experimental results. (c) 2005 Elsevier B.V. All rights reserved. The autoencoder algorithm and its deep version as traditional dimensionality reduction methods have achieved great success via the powerful representability of neural networks. However, they just use each instance to reconstruct itself and ignore to explicitly model the data relation so as to discover the underlying effective manifold structure. In this paper, we propose a dimensionality reduction method by manifold learning, which iteratively explores data relation and use the relation to pursue the manifold structure. The method is realized by a so called "generalized autoencoder" (GAE), which extends the traditional autoencoder in two aspects: (1) each instance xi is used to reconstruct a set of instances xj rather than itself. (2) The reconstruction error of each instance (| |xj--x'i| |2) is weighted by a relational function of xi and xj defined on the learned manifold. Hence, the GAE captures the structure of the data space through minimizing the weighted distances between reconstructed instances and the original ones. The generalized autoencoder provides a general neural network framework for dimensionality reduction. In addition, we propose a multilayer architecture of the generalized autoencoder called deep generalized autoencoder to handle highly complex datasets. Finally, to evaluate the proposed methods, we perform extensive experiments on three datasets. The experiments demonstrate that the proposed methods achieve promising performance. We explore the effect of dimensionality on the "nearest neighbor" problem. We show that under a broad set of conditions (much broader than independent and identically distributed dimensions), as dimensionality increases, the distance to the nearest data point approaches the distance to the farthest data point. To provide a practical perspective, we present empirical results on both real and synthetic data sets that demonstrate that this effect can occur for as few as 10-15 dimensions. These results should not be interpreted to mean that high-dimensional indexing is never meaningful; we illustrate this point by identifying some high-dimensional workloads for which this effect does not occur. However, our results do emphasize that the methodology used almost universally in the database literature to evaluate high-dimensional indexing techniques is flawed, and should be modified. In particular, most such techniques proposed in the literature are not evaluated versus simple linear scan, and are evaluated over workloads for which nearest neighbor is not meaningful. Often, even the reported experiments, when analyzed carefully, show that linear scan would outperform the techniques being proposed on the workloads studied in high (10-15) dimensionality! Mining useful clusters from high dimensional data have received significant attention of the computer vision and pattern recognition community in the recent years. Linear and nonlinear dimensionality reduction has played an important role to overcome the curse of dimensionality. However, often such methods are accompanied with three different problems: high computational complexity (usually associated with the nuclear norm minimization), nonconvexity (for matrix factorization methods), and susceptibility to gross corruptions in the data. In this paper, we propose a principal component analysis (PCA) based solution that overcomes these three issues and approximates a low-rank recovery method for high dimensional datasets. We target the low-rank recovery by enforcing two types of graph smoothness assumptions, one on the data samples and the other on the features by designing a convex optimization problem. The resulting algorithm is fast, efficient, and scalable for huge datasets with O(n log(n)) computational complexity in the number of data samples. It is also robust to gross corruptions in the dataset as well as to the model parameters. Clustering experiments on 7 benchmark datasets with different types of corruptions and background separation experiments on 3 video datasets show that our proposed model outperforms 10 state-of-the-art dimensionality reduction models. Our theoretical analysis proves that the proposed model is able to recover approximate low-rank representations with a bounded error for clusterable data. We discuss methodology for multidimensional scaling (MDS) and its implementation in two software systems, GGvis and XGvis. MDS is a visualization technique for proximity data, that is, data in the form of N × N dissimilarity matrices. MDS constructs maps (“configurations,” “embeddings”) in IRk by interpreting the dissimilarities as distances. Two frequent sources of dissimilarities are high-dimensional data and graphs. When the dissimilarities are distances between high-dimensional objects, MDS acts as a (often nonlinear) dimension-reduction technique. When the dissimilarities are shortest-path distances in a graph, MDS acts as a graph layout technique. MDS has found recent attention in machine learning motivated by image databases (“Isomap”). MDS is also of interest in view of the popularity of “kernelizing” approaches inspired by Support Vector Machines (SVMs; “kernel PCA”).This article discusses the following general topics: (1) the stability and multiplicity of MDS solutions; (2) the analysis of struc... Multi-label data with high dimensionality often occurs, which will produce large time and energy overheads when directly used in classification tasks. To solve this problem, a novel algorithm called multi-label dimensionality reduction via semi-supervised discriminant analysis (MSDA) was proposed. It was expected to derive an objective discriminant function as smooth as possible on the data manifold by multi-label learning and semi-supervised learning. By virtue of the latent imformation, which was provided by the graph weighted matrix of sample attributes and the similarity correlation matrix of partial sample labels, MSDA readily made the separability between different classes achieve maximization and estimated the intrinsic geometric structure in the lower manifold space by employing unlabeled data. Extensive experimental results on several real multi-label datasets show that after dimensionality reduction using MSDA, the average classification accuracy is about 9.71 higher than that of other algorithms, and several evaluation metrices like Hamming-loss are also superior to those of other dimensionality reduction methods. Recently, manifold learning has been widely exploited in pattern recognition, data analysis, and machine learning. This paper presents a novel framework, called Riemannian manifold learning (RML), based on the assumption that the input high-dimensional data lie on an intrinsically low-dimensional Riemannian manifold. The main idea is to formulate the dimensionality reduction problem as a classical problem in Riemannian geometry, that is, how to construct coordinate charts for a given Riemannian manifold? We implement the Riemannian normal coordinate chart, which has been the most widely used in Riemannian geometry, for a set of unorganized data points. First, two input parameters (the neighborhood size k and the intrinsic dimension d) are estimated based on an efficient simplicial reconstruction of the underlying manifold. Then, the normal coordinates are computed to map the input high-dimensional data into a low- dimensional space. Experiments on synthetic data, as well as real-world images, demonstrate that our algorithm can learn intrinsic geometric structures of the data, preserve radial geodesic distances, and yield regular embeddings. In recent years, dimensionality-reduction techniques have been developed and are widely used for hypothesis generation in Exploratory Data Analysis. However, these techniques are confronted with overcoming the trade-off between computation time and the quality of the provided dimensionality reduction. In this work, we address this limitation, by introducing Hierarchical Stochastic Neighbor Embedding (Hierarchical-SNE). Using a hierarchical representation of the data, we incorporate the well-known mantra of Overview-First, Details-On-Demand in non-linear dimensionality reduction. First, the analysis shows an embedding, that reveals only the dominant structures in the data (Overview). Then, by selecting structures that are visible in the overview, the user can filter the data and drill down in the hierarchy. While the user descends into the hierarchy, detailed visualizations of the high-dimensional structures will lead to new insights. In this paper, we explain how Hierarchical-SNE scales to the analysis of big datasets. In addition, we show its application potential in the visualization of Deep-Learning architectures and the analysis of hyperspectral images. We propose a new method for linear dimensionality reduction of manifold-modeled data. Given a training set X of Q points belonging to a manifoldM ⊂ R , we construct a linear operator P : R → R that approximately preserves the norms of all Q 2 pairwise difference vectors (or secants) of X . We design the matrix P via a trace-norm minimization that can be efficiently solved as a semi-definite program (SDP). When X comprises a sufficiently dense sampling of M, we prove that the optimal matrix P preserves all pairs of secants over M. We numerically demonstrate the considerable gains using our SDP-based approach over existing linear dimensionality reduction methods, such as principal components analysis (PCA) and random projections. We introduce a novel projection-based visualization method for high-dimensional data sets by combining concepts from MDS and the geometry of the hyperbolic spaces. This approach hyperbolic multi-dimensional scaling (H-MDS) is a synthesis of two important concepts for explorative data analysis and visualization: (i) multi-dimensional scaling uses proximity or pair distance data to generate a low-dimensional, spatial presentation of the data; (ii) previous work on the "hyperbolic tree browser" demonstrated the extraordinary advantages for an interactive display of graph-like data in the two-dimensional hyperbolic space (H2).In the new approach, H-MDS maps proximity data directly into the H2. This removes the restriction to "quasihierarchical", graph-based data--a major limitation of (ii). Since a suitable distance function can convert all kinds of data to proximity (or distance-based) data, this type of data can be considered the most general.We review important properties of the hyperbolic space and, in particular, the circular Poincare model of the H2. It enables effective human-computer interaction: by mouse dragging the "focus", the user can navigate in the data without loosing the context. In H2 the "fish-eye" behavior originates not simply by a non-linear view transformation but rather by extraordinary, non-Euclidean properties of the H2. Especially, the exponential growth of length and area of the underlying space makes the H2 a prime target for mapping hierarchical and (now also) high-dimensional data.Several high-dimensional mapping examples including synthetic and real-world data are presented. Since high-dimensional data produce "ring"-shaped displays, we present methods to enhance the display by modulating the dissimilarity contrast. This is demonstrated for an application for unstructured text: i.e., by using multiple film critiques from news:rec.art.movies.reviews and www.imdb.com, each movie is placed within the H2--creating a "space of movies" for interactive exploration. Over the past few years, some embedding methods have been proposed for feature extraction and dimensionality reduction in various machine learning and pattern classification tasks. Among the methods proposed are Neighborhood Preserving Embedding (NPE), Locality Preserving Projection (LPP) and Local Discriminant Embedding (LDE) which have been used in such applications as face recognition and image video retrieval. However, although the data in these applications are more naturally represented as higher-order tensors, the embedding methods can only work with vectorized data representations which may not capture well some useful information in the original data. Moreover, high-dimensional vectorized representations also suffer from the curse of dimensionality and the high computational demand. In this paper, we propose some novel tensor embedding methods which, unlike previous methods, take data directly in the form of tensors of arbitrary order as input. These methods allow the relationships between dimensions of a tensor representation to be efficiently characterized. Moreover, they also allow the intrinsic local geometric and topological properties of the manifold embedded in a tensor space to be naturally estimated. Furthermore, they do not suffer from the curse of dimensionality and the high computational demand. We demonstrate the effectiveness of the proposed tensor embedding methods on a face recognition application and compare them with some previous methods. Extensive experiments show that our methods are not only more effective but also more efficient.