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Register a new userSimultaneous Coherent Structure Coloring facilitates interpretable clustering of scientific data by amplifying dissimilarity
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The clustering of data into physically meaningful subsets often requires assumptions regarding the number, size, or shape of the subgroups. Here, we present a new method, simultaneous coherent structure coloring (sCSC), which accomplishes the task of unsupervised clustering without a priori guidance regarding the underlying structure of the data. sCSC performs a sequence of binary splittings on the dataset such that the most dissimilar data points are required to be in separate clusters. To achieve this, we obtain a set of orthogonal coordinates along which dissimilarity in the dataset is maximized from a generalized eigenvalue problem based on the pairwise dissimilarity between the data points to be clustered. This sequence of bifurcations produces a binary tree representation of the system, from which the number of clusters in the data and their interrelationships naturally emerge. To illustrate the effectiveness of the method in the absence of a priori assumptions, we apply it to three exemplary problems in fluid dynamics. Then, we illustrate its capacity for interpretability using a high-dimensional protein folding simulation dataset. While we restrict our examples to dynamical physical systems in this work, we anticipate straightforward translation to other fields where existing analysis tools require ad hoc assumptions on the data structure, lack the interpretability of the present method, or in which the underlying processes are less accessible, such as genomics and neuroscience.
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We present a technique for clustering categorical data by generating many dissimilarity matrices and averaging over them. We begin by demonstrating our technique on low dimensional categorical data and comparing it to several other techniques that have been proposed. Then we give conditions under which our method should yield good results in general. Our method extends to high dimensional categorical data of equal lengths by ensembling over many choices of explanatory variables. In this context we compare our method with two other methods. Finally, we extend our method to high dimensional categorical data vectors of unequal length by using alignment techniques to equalize the lengths. We give examples to show that our method continues to provide good results, in particular, better in the context of genome sequences than clusterings suggested by phylogenetic trees.
In this paper, we propose a simple algorithm to cluster nonnegative data lying in disjoint subspaces. We analyze its performance in relation to a certain measure of correlation between said subspaces. We use our clustering algorithm to develop a matrix completion algorithm which can outperform standard matrix completion algorithms on data matrices satisfying certain natural conditions.
Based on the classical Degree Corrected Stochastic Blockmodel (DCSBM) model for network community detection problem, we propose two novel approaches: principal component clustering (PCC) and normalized principal component clustering (NPCC). Without any parameters to be estimated, the PCC method is simple to be implemented. Under mild conditions, we show that PCC yields consistent community detection. NPCC is designed based on the combination of the PCC and the RSC method (Qin & Rohe 2013). Population analysis for NPCC shows that NPCC returns perfect clustering for the ideal case under DCSBM. PCC and NPCC is illustrated through synthetic and real-world datasets. Numerical results show that NPCC provides a significant improvement compare with PCC and RSC. Moreover, NPCC inherits nice properties of PCC and RSC such that NPCC is insensitive to the number of eigenvectors to be clustered and the choosing of the tuning parameter. When dealing with two weak signal networks Simmons and Caltech, by considering one more eigenvectors for clustering, we provide two refinements PCC+ and NPCC+ of PCC and NPCC, respectively. Both two refinements algorithms provide improvement performances compared with their original algorithms. Especially, NPCC+ provides satisfactory performances on Simmons and Caltech, with error rates of 121/1137 and 96/590, respectively.
The recent advances in single-cell technologies have enabled us to profile genomic features at unprecedented resolution and datasets from multiple domains are available, including datasets that profile different types of genomic features and datasets that profile the same type of genomic features across different species. These datasets typically have different powers in identifying the unknown cell types through clustering, and data integration can potentially lead to a better performance of clustering algorithms. In this work, we formulate the problem in an unsupervised transfer learning framework, which utilizes knowledge learned from auxiliary dataset to improve the clustering performance of target dataset. The degree of shared information among the target and auxiliary datasets can vary, and their distributions can also be different. To address these challenges, we propose an elastic coupled co-clustering based transfer learning algorithm, by elastically propagating clustering knowledge obtained from the auxiliary dataset to the target dataset. Implementation on single-cell genomic datasets shows that our algorithm greatly improves clustering performance over the traditional learning algorithms. The source code and data sets are available at https://github.com/cuhklinlab/elasticC3.
Kernel dimensionality reduction (KDR) algorithms find a low dimensional representation of the original data by optimizing kernel dependency measures that are capable of capturing nonlinear relationships. The standard strategy is to first map the data into a high dimensional feature space using kernels prior to a projection onto a low dimensional space. While KDR methods can be easily solved by keeping the most dominant eigenvectors of the kernel matrix, its features are no longer easy to interpret. Alternatively, Interpretable KDR (IKDR) is different in that it projects onto a subspace textit{before} the kernel feature mapping, therefore, the projection matrix can indicate how the original features linearly combine to form the new features. Unfortunately, the IKDR objective requires a non-convex manifold optimization that is difficult to solve and can no longer be solved by eigendecomposition. Recently, an efficient iterative spectral (eigendecomposition) method (ISM) has been proposed for this objective in the context of alternative clustering. However, ISM only provides theoretical guarantees for the Gaussian kernel. This greatly constrains ISMs usage since any kernel method using ISM is now limited to a single kernel. This work extends the theoretical guarantees of ISM to an entire family of kernels, thereby empowering ISM to solve any kernel method of the same objective. In identifying this family, we prove that each kernel within the family has a surrogate $Phi$ matrix and the optimal projection is formed by its most dominant eigenvectors. With this extension, we establish how a wide range of IKDR applications across different learning paradigms can be solved by ISM. To support reproducible results, the source code is made publicly available on url{https://github.com/chieh-neu/ISM_supervised_DR}.
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