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Dimensionality Reduction: Overviews

SLISEMAP: Explainable Dimensionality Reduction Artificial Intelligence

Existing explanation methods for black-box supervised learning models generally work by building local models that explain the models behaviour for a particular data item. It is possible to make global explanations, but the explanations may have low fidelity for complex models. Most of the prior work on explainable models has been focused on classification problems, with less attention on regression. We propose a new manifold visualization method, SLISEMAP, that at the same time finds local explanations for all of the data items and builds a two-dimensional visualization of model space such that the data items explained by the same model are projected nearby. We provide an open source implementation of our methods, implemented by using GPU-optimized PyTorch library. SLISEMAP works both on classification and regression models. We compare SLISEMAP to most popular dimensionality reduction methods and some local explanation methods. We provide mathematical derivation of our problem and show that SLISEMAP provides fast and stable visualizations that can be used to explain and understand black box regression and classification models.

Nested Hyperbolic Spaces for Dimensionality Reduction and Hyperbolic NN Design Artificial Intelligence

Hyperbolic neural networks have been popular in the recent past due to their ability to represent hierarchical data sets effectively and efficiently. The challenge in developing these networks lies in the nonlinearity of the embedding space namely, the Hyperbolic space. Hyperbolic space is a homogeneous Riemannian manifold of the Lorentz group. Most existing methods (with some exceptions) use local linearization to define a variety of operations paralleling those used in traditional deep neural networks in Euclidean spaces. In this paper, we present a novel fully hyperbolic neural network which uses the concept of projections (embeddings) followed by an intrinsic aggregation and a nonlinearity all within the hyperbolic space. The novelty here lies in the projection which is designed to project data on to a lower-dimensional embedded hyperbolic space and hence leads to a nested hyperbolic space representation independently useful for dimensionality reduction. The main theoretical contribution is that the proposed embedding is proved to be isometric and equivariant under the Lorentz transformations. This projection is computationally efficient since it can be expressed by simple linear operations, and, due to the aforementioned equivariance property, it allows for weight sharing. The nested hyperbolic space representation is the core component of our network and therefore, we first compare this ensuing nested hyperbolic space representation with other dimensionality reduction methods such as tangent PCA, principal geodesic analysis (PGA) and HoroPCA. Based on this equivariant embedding, we develop a novel fully hyperbolic graph convolutional neural network architecture to learn the parameters of the projection. Finally, we present experiments demonstrating comparative performance of our network on several publicly available data sets.

Interactive Dimensionality Reduction for Comparative Analysis Machine Learning

Finding the similarities and differences between groups of datasets is a fundamental analysis task. For high-dimensional data, dimensionality reduction (DR) methods are often used to find the characteristics of each group. However, existing DR methods provide limited capability and flexibility for such comparative analysis as each method is designed only for a narrow analysis target, such as identifying factors that most differentiate groups. This paper presents an interactive DR framework where we integrate our new DR method, called ULCA (unified linear comparative analysis), with an interactive visual interface. ULCA unifies two DR schemes, discriminant analysis and contrastive learning, to support various comparative analysis tasks. To provide flexibility for comparative analysis, we develop an optimization algorithm that enables analysts to interactively refine ULCA results. Additionally, the interactive visualization interface facilitates interpretation and refinement of the ULCA results. We evaluate ULCA and the optimization algorithm to show their efficiency as well as present multiple case studies using real-world datasets to demonstrate the usefulness of this framework.

Shape-Preserving Dimensionality Reduction : An Algorithm and Measures of Topological Equivalence Machine Learning

We introduce a linear dimensionality reduction technique preserving topological features via persistent homology. The method is designed to find linear projection $L$ which preserves the persistent diagram of a point cloud $\mathbb{X}$ via simulated annealing. The projection $L$ induces a set of canonical simplicial maps from the Rips (or \v{C}ech) filtration of $\mathbb{X}$ to that of $L\mathbb{X}$. In addition to the distance between persistent diagrams, the projection induces a map between filtrations, called filtration homomorphism. Using the filtration homomorphism, one can measure the difference between shapes of two filtrations directly comparing simplicial complexes with respect to quasi-isomorphism $\mu_{\operatorname{quasi-iso}}$ or strong homotopy equivalence $\mu_{\operatorname{equiv}}$. These $\mu_{\operatorname{quasi-iso}}$ and $\mu_{\operatorname{equiv}}$ measures how much portion of corresponding simplicial complexes is quasi-isomorphic or homotopy equivalence respectively. We validate the effectiveness of our framework with simple examples.

Hierarchical Subspace Learning for Dimensionality Reduction to Improve Classification Accuracy in Large Data Sets Machine Learning

Manifold learning is used for dimensionality reduction, with the goal of finding a projection subspace to increase and decrease the inter- and intraclass variances, respectively. However, a bottleneck for subspace learning methods often arises from the high dimensionality of datasets. In this paper, a hierarchical approach is proposed to scale subspace learning methods, with the goal of improving classification in large datasets by a range of 3% to 10%. Different combinations of methods are studied. We assess the proposed method on five publicly available large datasets, for different eigen-value based subspace learning methods such as linear discriminant analysis, principal component analysis, generalized discriminant analysis, and reconstruction independent component analysis. To further examine the effect of the proposed method on various classification methods, we fed the generated result to linear discriminant analysis, quadratic linear analysis, k-nearest neighbor, and random forest classifiers. The resulting classification accuracies are compared to show the effectiveness of the hierarchical approach, reporting results of an average of 5% increase in classification accuracy.

A Semi-supervised Spatial Spectral Regularized Manifold Local Scaling Cut With HGF for Dimensionality Reduction of Hyperspectral Images Machine Learning

Hyperspectral images (HSI) contain a wealth of information over hundreds of contiguous spectral bands, making it possible to classify materials through subtle spectral discrepancies. However, the classification of this rich spectral information is accompanied by the challenges like high dimensionality, singularity, limited training samples, lack of labeled data samples, heteroscedasticity and nonlinearity. To address these challenges, we propose a semi-supervised graph based dimensionality reduction method named `semi-supervised spatial spectral regularized manifold local scaling cut' (S3RMLSC). The underlying idea of the proposed method is to exploit the limited labeled information from both the spectral and spatial domains along with the abundant unlabeled samples to facilitate the classification task by retaining the original distribution of the data. In S3RMLSC, a hierarchical guided filter (HGF) is initially used to smoothen the pixels of the HSI data to preserve the spatial pixel consistency. This step is followed by the construction of linear patches from the nonlinear manifold by using the maximal linear patch (MLP) criterion. Then the inter-patch and intra-patch dissimilarity matrices are constructed in both spectral and spatial domains by regularized manifold local scaling cut (RMLSC) and neighboring pixel manifold local scaling cut (NPMLSC) respectively. Finally, we obtain the projection matrix by optimizing the updated semi-supervised spatial-spectral between-patch and total-patch dissimilarity. The effectiveness of the proposed DR algorithm is illustrated with publicly available real-world HSI datasets.

Dimensionality Reduction via Regression in Hyperspectral Imagery Machine Learning

This paper introduces a new unsupervised method for dimensionality reduction via regression (DRR). The algorithm belongs to the family of invertible transforms that generalize Principal Component Analysis (PCA) by using curvilinear instead of linear features. DRR identifies the nonlinear features through multivariate regression to ensure the reduction in redundancy between he PCA coefficients, the reduction of the variance of the scores, and the reduction in the reconstruction error. More importantly, unlike other nonlinear dimensionality reduction methods, the invertibility, volume-preservation, and straightforward out-of-sample extension, makes DRR interpretable and easy to apply. The properties of DRR enable learning a more broader class of data manifolds than the recently proposed Non-linear Principal Components Analysis (NLPCA) and Principal Polynomial Analysis (PPA). We illustrate the performance of the representation in reducing the dimensionality of remote sensing data. In particular, we tackle two common problems: processing very high dimensional spectral information such as in hyperspectral image sounding data, and dealing with spatial-spectral image patches of multispectral images. Both settings pose collinearity and ill-determination problems. Evaluation of the expressive power of the features is assessed in terms of truncation error, estimating atmospheric variables, and surface land cover classification error. Results show that DRR outperforms linear PCA and recently proposed invertible extensions based on neural networks (NLPCA) and univariate regressions (PPA).

Toward a unified theory of sparse dimensionality reduction in Euclidean space Machine Learning

Let $\Phi\in\mathbb{R}^{m\times n}$ be a sparse Johnson-Lindenstrauss transform [KN14] with $s$ non-zeroes per column. For a subset $T$ of the unit sphere, $\varepsilon\in(0,1/2)$ given, we study settings for $m,s$ required to ensure $$ \mathop{\mathbb{E}}_\Phi \sup_{x\in T} \left|\|\Phi x\|_2^2 - 1 \right| < \varepsilon , $$ i.e. so that $\Phi$ preserves the norm of every $x\in T$ simultaneously and multiplicatively up to $1+\varepsilon$. We introduce a new complexity parameter, which depends on the geometry of $T$, and show that it suffices to choose $s$ and $m$ such that this parameter is small. Our result is a sparse analog of Gordon's theorem, which was concerned with a dense $\Phi$ having i.i.d. Gaussian entries. We qualitatively unify several results related to the Johnson-Lindenstrauss lemma, subspace embeddings, and Fourier-based restricted isometries. Our work also implies new results in using the sparse Johnson-Lindenstrauss transform in numerical linear algebra, classical and model-based compressed sensing, manifold learning, and constrained least squares problems such as the Lasso.

A survey of dimensionality reduction techniques Machine Learning

Experimental life sciences like biology or chemistry have seen in the recent decades an explosion of the data available from experiments. Laboratory instruments become more and more complex and report hundreds or thousands measurements for a single experiment and therefore the statistical methods face challenging tasks when dealing with such high dimensional data. However, much of the data is highly redundant and can be efficiently brought down to a much smaller number of variables without a significant loss of information. The mathematical procedures making possible this reduction are called dimensionality reduction techniques; they have widely been developed by fields like Statistics or Machine Learning, and are currently a hot research topic. In this review we categorize the plethora of dimension reduction techniques available and give the mathematical insight behind them.

Regularizers versus Losses for Nonlinear Dimensionality Reduction: A Factored View with New Convex Relaxations Machine Learning

We demonstrate that almost all non-parametric dimensionality reduction methods can be expressed by a simple procedure: regularized loss minimization plus singular value truncation. By distinguishing the role of the loss and regularizer in such a process, we recover a factored perspective that reveals some gaps in the current literature. Beyond identifying a useful new loss for manifold unfolding, a key contribution is to derive new convex regularizers that combine distance maximization with rank reduction. These regularizers can be applied to any loss.