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Non-Linear Spectral Dimensionality Reduction Under Uncertainty

arXiv.org Artificial Intelligence

In this paper, we consider the problem of non-linear dimensionality reduction under uncertainty, both from a theoretical and algorithmic perspectives. Since real-world data usually contain measurements with uncertainties and artifacts, the input space in the proposed framework consists of probability distributions to model the uncertainties associated with each sample. We propose a new dimensionality reduction framework, called NGEU, which leverages uncertainty information and directly extends several traditional approaches, e.g., KPCA, MDA/KMFA, to receive as inputs the probability distributions instead of the original data. We show that the proposed NGEU formulation exhibits a global closed-form solution, and we analyze, based on the Rademacher complexity, how the underlying uncertainties theoretically affect the generalization ability of the framework. Empirical results on different datasets show the effectiveness of the proposed framework.


Dimensionality Reduction for Machine Learning

#artificialintelligence

What is High Demensional Data? How does it affect your Machine Learning models? Have you ever wondered why your model isn't meeting your expectations and you have tried hyper-tuning the parameters until the ends of the earth, with no improvements? Understanding your data and your model may be key. Underneath such an immense and complicated hood, you may be concerned that there are few to no ways of gaining more insight into your data, as well as your model.


Interactive Dimensionality Reduction for Comparative Analysis

arXiv.org 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

arXiv.org 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.


Laplacian-Based Dimensionality Reduction Including Spectral Clustering, Laplacian Eigenmap, Locality Preserving Projection, Graph Embedding, and Diffusion Map: Tutorial and Survey

arXiv.org Machine Learning

This is a tutorial and survey paper for nonlinear dimensionality and feature extraction methods which are based on the Laplacian of graph of data. We first introduce adjacency matrix, definition of Laplacian matrix, and the interpretation of Laplacian. Then, we cover the cuts of graph and spectral clustering which applies clustering in a subspace of data. Different optimization variants of Laplacian eigenmap and its out-of-sample extension are explained. Thereafter, we introduce the locality preserving projection and its kernel variant as linear special cases of Laplacian eigenmap. Versions of graph embedding are then explained which are generalized versions of Laplacian eigenmap and locality preserving projection. Finally, diffusion map is introduced which is a method based on Laplacian of data and random walks on the data graph.


A Subspace-based Approach for Dimensionality Reduction and Important Variable Selection

arXiv.org Machine Learning

An analysis of high dimensional data can offer a detailed description of a system but is often challenged by the curse of dimensionality. General dimensionality reduction techniques can alleviate such difficulty by extracting a few important features, but they are limited due to the lack of interpretability and connectivity to actual decision making associated with each physical variable. Important variable selection techniques, as an alternative, can maintain the interpretability, but they often involve a greedy search that is susceptible to failure in capturing important interactions. This research proposes a new method that produces subspaces, reduced-dimensional physical spaces, based on a randomized search and forms an ensemble of models for critical subspaces. When applied to high-dimensional data collected from a composite metal development process, the proposed method shows its superiority in prediction and important variable selection.


Divergence Regulated Encoder Network for Joint Dimensionality Reduction and Classification

arXiv.org Artificial Intelligence

In this paper, we investigate performing joint dimensionality reduction and classification using a novel histogram neural network. Motivated by a popular dimensionality reduction approach, t-Distributed Stochastic Neighbor Embedding (t-SNE), our proposed method incorporates a classification loss computed on samples in a low-dimensional embedding space. We compare the learned sample embeddings against coordinates found by t-SNE in terms of classification accuracy and qualitative assessment. We also explore use of various divergence measures in the t-SNE objective. The proposed method has several advantages such as readily embedding out-of-sample points and reducing feature dimensionality while retaining class discriminability. Our results show that the proposed approach maintains and/or improves classification performance and reveals characteristics of features produced by neural networks that may be helpful for other applications.


Supervised Discriminative Sparse PCA with Adaptive Neighbors for Dimensionality Reduction

arXiv.org Machine Learning

Dimensionality reduction is an important operation in information visualization, feature extraction, clustering, regression, and classification, especially for processing noisy high dimensional data. However, most existing approaches preserve either the global or the local structure of the data, but not both. Approaches that preserve only the global data structure, such as principal component analysis (PCA), are usually sensitive to outliers. Approaches that preserve only the local data structure, such as locality preserving projections, are usually unsupervised (and hence cannot use label information) and uses a fixed similarity graph. We propose a novel linear dimensionality reduction approach, supervised discriminative sparse PCA with adaptive neighbors (SDSPCAAN), to integrate neighborhood-free supervised discriminative sparse PCA and projected clustering with adaptive neighbors. As a result, both global and local data structures, as well as the label information, are used for better dimensionality reduction. Classification experiments on nine high-dimensional datasets validated the effectiveness and robustness of our proposed SDSPCAAN.


TriMap: Large-scale Dimensionality Reduction Using Triplets

arXiv.org Machine Learning

B M ORE V ISUALIZATIONS We compare the results of TriMap to LargeVis in Figure 7 and 8. We also provide more visualizations obtained using TriMap in Figure 9. C D ISCUSSION We briefly discuss the results of TriMap and draw a comparison to the other methods. TriMap generally provides better global accuracy compared to the competing methods. It also successfully maintains the continuity of the underlying manifold. This can be seen from the COIL-20 result where certain clusters are located farther away from the remaining clusters. However, the underlying structure for the main cluster resembles the one provided by the other methods. TriMap also preserves the continuous structure in the Fashion MNIST and the TV News datasets. TriMap is also efficient in uncovering the possible outliers in the data. For instance, PCA reveals a large number of outliers in the Tabula Muris and the 360 K Lyrics datasets.


Extending classical surrogate modelling to ultrahigh dimensional problems through supervised dimensionality reduction: a data-driven approach

arXiv.org Machine Learning

Thanks to their versatility, ease of deployment and high-performance, surrogate models have become staple tools in the arsenal of uncertainty quantification (UQ). From local interpolants to global spectral decompositions, surrogates are characterised by their ability to efficiently emulate complex computational models based on a small set of model runs used for training. An inherent limitation of many surrogate models is their susceptibility to the curse of dimensionality, which traditionally limits their applicability to a maximum of $\co(10^2)$ input dimensions. We present a novel approach at high-dimensional surrogate modelling that is model-, dimensionality reduction- and surrogate model- agnostic (black box), and can enable the solution of high dimensional (i.e. up to $\co(10^4)$) problems. After introducing the general algorithm, we demonstrate its performance by combining Kriging and polynomial chaos expansions surrogates and kernel principal component analysis. In particular, we compare the generalisation performance that the resulting surrogates achieve to the classical sequential application of dimensionality reduction followed by surrogate modelling on several benchmark applications, comprising an analytical function and two engineering applications of increasing dimensionality and complexity.