DATA VISUALIZATION OF ASYMMETRIC DATA USING SAMMON MAPPING AND APPLICATIONS OF SELF-ORGANIZING MAPS

Data visualization can be used to detect hidden structures and patterns in data sets that are found in data mining applications. However, although efficient data visualization algorithms to handle data sets with asymmetric proximities have been proposed, we develop an improved algorithm in this dissertation. In the first part of the proposal, we develop a modified Sammon mapping approach that uses the upper triangular part and the lower triangular part of an asymmetric distance matrix simultaneously. Our proposed approach is applied to two asymmetric data sets: an American college selection data set, and a Canadian college selection data set which contains rank information. When compared to other approaches that are used in practice, our modified approach generates visual maps that have smaller distance errors and provide more reasonable representations of the data sets. In data visualization, self-organizing maps (SOM) have been used to cluster points. In the second part of the proposal, we assess the performance of several software implementations of SOM-based methods. Viscovery SOMine is found to be helpful in determining the number of clusters and recovering the cluster structure of data sets. A genocide and politicide data set is analyzed using Viscovery SOMine, followed by another analysis on the public and private college data sets with the goal to find out schools with best values

Topographic mappings and feed-forward neural networks

This thesis is a study of the generation of topographic mappings - dimension reducing transformations of data that preserve some element of geometric structure - with feed-forward neural networks. As an alternative to established methods, a transformational variant of Sammon's method is proposed, where the projection is effected by a radial basis function neural network. This approach is related to the statistical field of multidimensional scaling, and from that the concept of a 'subjective metric' is defined, which permits the exploitation of additional prior knowledge concerning the data in the mapping process. This then enables the generation of more appropriate feature spaces for the purposes of enhanced visualisation or subsequent classification. A comparison with established methods for feature extraction is given for data taken from the 1992 Research Assessment Exercise for higher educational institutions in the United Kingdom. This is a difficult high-dimensional dataset, and illustrates well the benefit of the new topographic technique. A generalisation of the proposed model is considered for implementation of the classical multidimensional scaling (¸mds}) routine. This is related to Oja's principal subspace neural network, whose learning rule is shown to descend the error surface of the proposed ¸mds model. Some of the technical issues concerning the design and training of topographic neural networks are investigated. It is shown that neural network models can be less sensitive to entrapment in the sub-optimal global minima that badly affect the standard Sammon algorithm, and tend to exhibit good generalisation as a result of implicit weight decay in the training process. It is further argued that for ideal structure retention, the network transformation should be perfectly smooth for all inter-data directions in input space. Finally, there is a critique of optimisation techniques for topographic mappings, and a new training algorithm is proposed. A convergence proof is given, and the method is shown to produce lower-error mappings more rapidly than previous algorithms

Data exploration with learning metrics

A crucial problem in exploratory analysis of data is that it is difficult for computational methods to focus on interesting aspects of data. Traditional methods of unsupervised learning cannot differentiate between interesting and noninteresting variation, and hence may model, visualize, or cluster parts of data that are not interesting to the analyst. This wastes the computational power of the methods and may mislead the analyst. In this thesis, a principle called "learning metrics" is used to develop visualization and clustering methods that automatically focus on the interesting aspects, based on auxiliary labels supplied with the data samples. The principle yields non-Euclidean (Riemannian) metrics that are data-driven, widely applicable, versatile, invariant to many transformations, and in part invariant to noise. Learning metric methods are introduced for five tasks: nonlinear visualization by Self-Organizing Maps and Multidimensional Scaling, linear projection, and clustering of discrete data and multinomial distributions. The resulting methods either explicitly estimate distances in the Riemannian metric, or optimize a tailored cost function which is implicitly related to such a metric. The methods have rigorous theoretical relationships to information geometry and probabilistic modeling, and are empirically shown to yield good practical results in exploratory and information retrieval tasks.reviewe

Longitudinal clustering analysis and prediction of Parkinson\u27s disease progression using radiomics and hybrid machine learning

Background: We employed machine learning approaches to (I) determine distinct progression trajectories in Parkinson\u27s disease (PD) (unsupervised clustering task), and (II) predict progression trajectories (supervised prediction task), from early (years 0 and 1) data, making use of clinical and imaging features. Methods: We studied PD-subjects derived from longitudinal datasets (years 0, 1, 2 & 4; Parkinson\u27s Progressive Marker Initiative). We extracted and analyzed 981 features, including motor, non-motor, and radiomics features extracted for each region-of-interest (ROIs: left/right caudate and putamen) using our standardized standardized environment for radiomics analysis (SERA) radiomics software. Segmentation of ROIs on dopamine transposer - single photon emission computed tomography (DAT SPECT) images were performed via magnetic resonance images (MRI). After performing cross-sectional clustering on 885 subjects (original dataset) to identify disease subtypes, we identified optimal longitudinal trajectories using hybrid machine learning systems (HMLS), including principal component analysis (PCA) + K-Means algorithms (KMA) followed by Bayesian information criterion (BIC), Calinski-Harabatz criterion (CHC), and elbow criterion (EC). Subsequently, prediction of the identified trajectories from early year data was performed using multiple HMLSs including 16 Dimension Reduction Algorithms (DRA) and 10 classification algorithms. Results: We identified 3 distinct progression trajectories. Hotelling\u27s t squared test (HTST) showed that the identified trajectories were distinct. The trajectories included those with (I, II) disease escalation (2 trajectories, 27% and 38% of patients) and (III) stable disease (1 trajectory, 35% of patients). For trajectory prediction from early year data, HMLSs including the stochastic neighbor embedding algorithm (SNEA, as a DRA) as well as locally linear embedding algorithm (LLEA, as a DRA), linked with the new probabilistic neural network classifier (NPNNC, as a classifier), resulted in accuracies of 78.4% and 79.2% respectively, while other HMLSs such as SNEA + Lib_SVM (library for support vector machines) and t_SNE (t-distributed stochastic neighbor embedding) + NPNNC resulted in 76.5% and 76.1% respectively. Conclusions: This study moves beyond cross-sectional PD subtyping to clustering of longitudinal disease trajectories. We conclude that combining medical information with SPECT-based radiomics features, and optimal utilization of HMLSs, can identify distinct disease trajectories in PD patients, and enable effective prediction of disease trajectories from early year data

From insights to innovations : data mining, visualization, and user interfaces

This thesis is about data mining (DM) and visualization methods for gaining insight into multidimensional data. Novel, exploratory data analysis tools and adaptive user interfaces are developed by tailoring and combining existing DM and visualization methods in order to advance in different applications. The thesis presents new visual data mining (VDM) methods that are also implemented in software toolboxes and applied to industrial and biomedical signals: First, we propose a method that has been applied to investigating industrial process data. The self-organizing map (SOM) is combined with scatterplots using the traditional color linking or interactive brushing. The original contribution is to apply color linked or brushed scatterplots and the SOM to visually survey local dependencies between a pair of attributes in different parts of the SOM. Clusters can be visualized on a SOM with different colors, and we also present how a color coding can be automatically obtained by using a proximity preserving projection of the SOM model vectors. Second, we present a new method for an (interactive) visualization of cluster structures in a SOM. By using a contraction model, the regular grid of a SOM visualization is smoothly changed toward a presentation that shows better the proximities in the data space. Third, we propose a novel VDM method for investigating the reliability of estimates resulting from a stochastic independent component analysis (ICA) algorithm. The method can be extended also to other problems of similar kind. As a benchmarking task, we rank independent components estimated on a biomedical data set recorded from the brain and gain a reasonable result. We also utilize DM and visualization for mobile-awareness and personalization. We explore how to infer information about the usage context from features that are derived from sensory signals. The signals originate from a mobile phone with on-board sensors for ambient physical conditions. In previous studies, the signals are transformed into descriptive (fuzzy or binary) context features. In this thesis, we present how the features can be transformed into higher-level patterns, contexts, by rather simple statistical methods: we propose and test using minimum-variance cost time series segmentation, ICA, and principal component analysis (PCA) for this purpose. Both time-series segmentation and PCA revealed meaningful contexts from the features in a visual data exploration. We also present a novel type of adaptive soft keyboard where the aim is to obtain an ergonomically better, more comfortable keyboard. The method starts from some conventional keypad layout, but it gradually shifts the keys into new positions according to the user's grasp and typing pattern. Related to the applications, we present two algorithms that can be used in a general context: First, we describe a binary mixing model for independent binary sources. The model resembles the ordinary ICA model, but the summation is replaced by the Boolean operator OR and the multiplication by AND. We propose a new, heuristic method for estimating the binary mixing matrix and analyze its performance experimentally. The method works for signals that are sparse enough. We also discuss differences on the results when using different objective functions in the FastICA estimation algorithm. Second, we propose "global iterative replacement" (GIR), a novel, greedy variant of a merge-split segmentation method. Its performance compares favorably to that of the traditional top-down binary split segmentation algorithm.reviewe

Statistic Software for Neighbor Embedding

Dimension reduction presents expanding importance and prevalence since it lessens the challenge to data visualization and exploratory analysis that numerous science areas rely on. Recently, nonlinear dimension reduction (NLDR) methods have achieved superior performance in coping with complicated data manifolds embedded in high dimensional space. However, conventional statistic software for NLDR visualization purpose (e.g Multidimensional Scaling) often gives undesired desirable layouts. In this thesis work, to improve the performance of NLDR for data visualization, we study the recently proposed and efficient neighbor embedding (NE) framework and develop its software package in statistic software R. The neighbor embedding framework consists of a wide family of NLDR including stochastic neighbor embedding (SNE), symmetric SNE etc. Yet the original SNE optimization algorithm has several drawbacks. For example, it cannot be extended to other NE objective functions and requires quadratic computation cost. To address these drawbacks, we unify many different NE objective functions through several software layers and adopt a tree-based approach for computation acceleration. The core algorithm is implemented in C++ with an lightweight R wrapper. It thus provides an efficient and convenient package for researchers and engineers who work on statistics. We demonstrate the developed software by visualizing the two-dimensional layouts for several typical datasets in machine learning research including MNIST, COIL-20 and Phonemes etc. The results show that NE methods significantly outperform the traditional MDS visualization tool, indicating NE as a promising and useful dimension reduction tool for data visualization in statistics

Methodological Advances in Bibliometric Mapping of Science

Bibliometric mapping of science is concerned with quantitative methods for visually representing scientific literature based on bibliographic data. Since the first pioneering efforts in the 1970s, a large number of methods and techniques for bibliometric mapping have been proposed and tested. Although this has not resulted in a single generally accepted methodological standard, it did result in a limited set of commonly used methods and techniques. In this thesis, a new methodology for bibliometric mapping is presented. It is argued that some well-known methods and techniques for bibliometric mapping have serious shortcomings. For instance, the mathematical justification of a number of commonly used normalization methods is criticized, and popular multidimensional-scaling-based approaches for constructing bibliometric maps are shown to suffer from artifacts, especially when working with larger data sets. The methodology introduced in this thesis aims to provide improved methods and techniques for bibliometric mapping. The thesis contains an extensive mathematical analysis of normalization methods, indicating that the so-called association strength measure has the most satisfactory mathematical properties. The thesis also introduces the VOS technique for constructing bibliometric maps, where VOS stands for visualization of similarities. Compared with well-known multidimensional-scaling-based approaches, the VOS technique is shown to produce more satisfactory maps. In addition to the VOS mapping technique, the thesis also presents the VOS clustering technique. Together, these two techniques provide a unified framework for mapping and clustering. Finally, the VOSviewer software for constructing, displaying, and exploring bibliometric maps is introduced

Dissimilarity-based learning for complex data

Mokbel B. Dissimilarity-based learning for complex data. Bielefeld: Universität Bielefeld; 2016.Rapid advances of information technology have entailed an ever increasing amount of digital data, which raises the demand for powerful data mining and machine learning tools. Due to modern methods for gathering, preprocessing, and storing information, the collected data become more and more complex: a simple vectorial representation, and comparison in terms of the Euclidean distance is often no longer appropriate to capture relevant aspects in the data. Instead, problem-adapted similarity or dissimilarity measures refer directly to the given encoding scheme, allowing to treat information constituents in a relational manner. This thesis addresses several challenges of complex data sets and their representation in the context of machine learning. The goal is to investigate possible remedies, and propose corresponding improvements of established methods, accompanied by examples from various application domains. The main scientific contributions are the following: (I) Many well-established machine learning techniques are restricted to vectorial input data only. Therefore, we propose the extension of two popular prototype-based clustering and classification algorithms to non-negative symmetric dissimilarity matrices. (II) Some dissimilarity measures incorporate a fine-grained parameterization, which allows to configure the comparison scheme with respect to the given data and the problem at hand. However, finding adequate parameters can be hard or even impossible for human users, due to the intricate effects of parameter changes and the lack of detailed prior knowledge. Therefore, we propose to integrate a metric learning scheme into a dissimilarity-based classifier, which can automatically adapt the parameters of a sequence alignment measure according to the given classification task. (III) A valuable instrument to make complex data sets accessible are dimensionality reduction techniques, which can provide an approximate low-dimensional embedding of the given data set, and, as a special case, a planar map to visualize the data's neighborhood structure. To assess the reliability of such an embedding, we propose the extension of a well-known quality measure to enable a fine-grained, tractable quantitative analysis, which can be integrated into a visualization. This tool can also help to compare different dissimilarity measures (and parameter settings), if ground truth is not available. (IV) All techniques are demonstrated on real-world examples from a variety of application domains, including bioinformatics, motion capturing, music, and education

Metric Learning for Structured Data

Paaßen B. Metric Learning for Structured Data. Bielefeld: Universität Bielefeld; 2019.Distance measures form a backbone of machine learning and information retrieval in many application fields such as computer vision, natural language processing, and biology. However, general-purpose distances may fail to capture semantic particularities of a domain, leading to wrong inferences downstream. Motivated by such failures, the field of metric learning has emerged. Metric learning is concerned with learning a distance measure from data which pulls semantically similar data closer together and pushes semantically dissimilar data further apart. Over the past decades, metric learning approaches have yielded state-of-the-art results in many applications. Unfortunately, these successes are mostly limited to vectorial data, while metric learning for structured data remains a challenge. In this thesis, I present a metric learning scheme for a broad class of sequence edit distances which is compatible with any differentiable cost function, and a scalable, interpretable, and effective tree edit distance learning scheme, thus pushing the boundaries of metric learning for structured data. Furthermore, I make learned distances more useful by providing a novel algorithm to perform time series prediction solely based on distances, a novel algorithm to infer a structured datum from edit distances, and a novel algorithm to transfer a learned distance to a new domain using only little data and computation time. Finally, I apply these novel algorithms to two challenging application domains. First, I support students in intelligent tutoring systems. If a student gets stuck before completing a learning task, I predict how capable students would proceed in their situation and guide the student in that direction via edit hints. Second, I use transfer learning to counteract disturbances for bionic hand prostheses to make these prostheses more robust in patients' everyday lives