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 Clustering


Build Better and Accurate Clusters with Gaussian Mixture Models

#artificialintelligence

They offer a completely different challenge to a supervised learning problem -- there's much more room for experimenting with the data that I have. It's no wonder that the majority of developments and breakthroughs in the machine learning space are happening in the unsupervised learning domain. And one of the most popular techniques in unsupervised learning is clustering. It's a concept we typically learn early on in our machine learning journey and it's simple enough to grasp. I'm sure you've come across or even worked on projects like customer segmentation, market basket analysis, etc.


Automated extraction of mutual independence patterns using Bayesian comparison of partition models

arXiv.org Machine Learning

Mutual independence is a key concept in statistics that characterizes the structural relationships between variables. Existing methods to investigate mutual independence rely on the definition of two competing models, one being nested into the other and used to generate a null distribution for a statistic of interest, usually under the asymptotic assumption of large sample size. As such, these methods have a very restricted scope of application. In the present manuscript, we propose to change the investigation of mutual independence from a hypothesis-driven task that can only be applied in very specific cases to a blind and automated search within patterns of mutual independence. To this end, we treat the issue as one of model comparison that we solve in a Bayesian framework. We show the relationship between such an approach and existing methods in the case of multivariate normal distributions as well as cross-classified multinomial distributions. We propose a general Markov chain Monte Carlo (MCMC) algorithm to numerically approximate the posterior distribution on the space of all patterns of mutual independence. The relevance of the method is demonstrated on synthetic data as well as two real datasets, showing the unique insight provided by this approach.


Artificial Benchmark for Community Detection (ABCD): Fast Random Graph Model with Community Structure

arXiv.org Machine Learning

Most of the current complex networks that are of interest to practitioners possess a certain community structure that plays an important role in understanding the properties of these networks. Moreover, many machine learning algorithms and tools that are developed for complex networks try to take advantage of the existence of communities to improve their performance or speed. As a result, there are many competing algorithms for detecting communities in large networks. Unfortunately, these algorithms are often quite sensitive and so they cannot be fine-tuned for a given, but a constantly changing, real-world network at hand. It is therefore important to test these algorithms for various scenarios that can only be done using synthetic graphs that have built-in community structure, power-law degree distribution, and other typical properties observed in complex networks. The standard and extensively used method for generating artificial networks is the LFR graph generator. Unfortunately, this model has some scalability limitations and it is challenging to analyze it theoretically. Finally, the mixing parameter $\mu$, the main parameter of the model guiding the strength of the communities, has a non-obvious interpretation and so can lead to unnaturally-defined networks. In this paper, we provide an alternative random graph model with community structure and power-law distribution for both degrees and community sizes, the Artificial Benchmark for Community Detection (ABCD). We show that the new model solves the three issues identified above and more. The conclusion is that these models produce comparable graphs but ABCD is fast, simple, and can be easily tuned to allow the user to make a smooth transition between the two extremes: pure (independent) communities and random graph with no community structure.


A Comprehensive Survey on the Ambulance Routing and Location Problems

arXiv.org Artificial Intelligence

In this research, an extensive literature review was performed on the recent developments of the ambulance routing problem (ARP) and ambulance location problem (ALP). Both are respective modifications of the vehicle routing problem (VRP) and maximum covering problem (MCP), with modifications to objective functions and constraints. Although alike, a key distinction is emergency service systems (EMS) are considered critical and the optimization of these has become all the more important as a result. Similar to their parent problems, these are NP-hard and must resort to approximations if the space size is too large. Much of the current work has simply been on modifying existing systems through simulation to achieve a more acceptable result. There has been attempts towards using meta-heuristics, though practical experimentation is lacking when compared to VRP or MCP. The contributions of this work are a comprehensive survey of current methodologies, summarized models, and suggested future improvements.


Entropy Regularized Power k-Means Clustering

arXiv.org Machine Learning

Despite its well-known shortcomings, $k$-means remains one of the most widely used approaches to data clustering. Current research continues to tackle its flaws while attempting to preserve its simplicity. Recently, the \textit{power $k$-means} algorithm was proposed to avoid trapping in local minima by annealing through a family of smoother surfaces. However, the approach lacks theoretical justification and fails in high dimensions when many features are irrelevant. This paper addresses these issues by introducing \textit{entropy regularization} to learn feature relevance while annealing. We prove consistency of the proposed approach and derive a scalable majorization-minimization algorithm that enjoys closed-form updates and convergence guarantees. In particular, our method retains the same computational complexity of $k$-means and power $k$-means, but yields significant improvements over both. Its merits are thoroughly assessed on a suite of real and synthetic data experiments.


Probabilistic K-means Clustering via Nonlinear Programming

arXiv.org Machine Learning

Abstract--K-means is a classical clustering algorithm with wide applications. However, soft K-means, or fuzzy c-means at m 1, remains unsolved since 1981. T o address this challenging open problem, we propose a novel clustering model, i.e. Probabilistic K-Means (PKM), which is also a nonlinear programming model constrained on linear equalities and linear inequalities. In theory, we can solve the model by active gradient projection, while inefficiently . Thus, we further propose maximum-step active gradient projection and fast maximum-step active gradient projection to solve it more efficiently . By experiments, we evaluate the performance of PKM and how well the proposed methods solve it in five aspects: initialization robustness, clustering performance, descending stability, iteration number, and convergence speed. It has been widely used in image and video processing [1] - [4], speech processing [5], biology [6], medicine [7], sociology [8], and so on.


Inflammatory Bowel Disease Biomarkers of Human Gut Microbiota Selected via Ensemble Feature Selection Methods

arXiv.org Machine Learning

The tremendous boost in the next generation sequencing and in the omics technologies makes it possible to characterize human gut microbiome (the collective genomes of the microbial community that reside in our gastrointestinal tract). While some of these microorganisms are considered as essential regulators of our immune system, some others can cause several diseases such as Inflammatory Bowel Diseases (IBD), diabetes, and cancer. IBD, is a gut related disorder where the deviations from the healthy gut microbiome are considered to be associated with IBD. Although existing studies attempt to unveal the composition of the gut microbiome in relation to IBD diseases, a comprehensive picture is far from being complete. Due to the complexity of metagenomic studies, the applications of the state of the art machine learning techniques became popular to address a wide range of questions in the field of metagenomic data analysis. In this regard, using IBD associated metagenomics dataset, this study utilizes both supervised and unsupervised machine learning algorithms, i) to generate a classification model that aids IBD diagnosis, ii) to discover IBD associated biomarkers, iii) to find subgroups of IBD patients using k means and hierarchical clustering. To deal with the high dimensionality of features, we applied robust feature selection algorithms such as Conditional Mutual Information Maximization (CMIM), Fast Correlation Based Filter (FCBF), min redundancy max relevance (mRMR) and Extreme Gradient Boosting (XGBoost). In our experiments with 10 fold cross validation, XGBoost had a considerable effect in terms of minimizing the microbiota used for the diagnosis of IBD and thus reducing the cost and time. We observed that compared to the single classifiers, ensemble methods such as kNN and logitboost resulted in better performance measures for the classification of IBD.


A Group Norm Regularized LRR Factorization Model for Spectral Clustering

arXiv.org Machine Learning

Spectral clustering is a very important and classic graph clustering method. Its clustering results are heavily dependent on affine matrix produced by data. Solving Low-Rank Representation~(LRR) problems is a very effective method to obtain affine matrix. This paper proposes LRR factorization model based on group norm regularization and uses Augmented Lagrangian Method~(ALM) algorithm to solve this model. We adopt group norm regularization to make the columns of the factor matrix sparse, thereby achieving the purpose of low rank. And no Singular Value Decomposition~(SVD) is required, computational complexity of each step is great reduced. We get the affine matrix by different LRR model and then perform cluster testing on synthetic noise data and real data~(Hopkin155 and EYaleB) respectively. Compared to traditional models and algorithms, ours are faster to solve affine matrix and more robust to noise. The final clustering results are better. And surprisingly, the numerical results show that our algorithm converges very fast, and the convergence condition is satisfied in only about ten steps. Group norm regularized LRR factorization model with the algorithm designed for it is effective and fast to obtain a better affine matrix.


Softmax-based Classification is k-means Clustering: Formal Proof, Consequences for Adversarial Attacks, and Improvement through Centroid Based Tailoring

arXiv.org Machine Learning

We formally prove the connection between k-means clustering and the predictions of neural networks based on the softmax activation layer. In existing work, this connection has been analyzed empirically, but it has never before been mathematically derived. The softmax function partitions the transformed input space into cones, each of which encompasses a class. This is equivalent to putting a number of centroids in this transformed space at equal distance from the origin, and k-means clustering the data points by proximity to these centroids. Softmax only cares in which cone a data point falls, and not how far from the centroid it is within that cone. We formally prove that networks with a small Lipschitz modulus (which corresponds to a low susceptibility to adversarial attacks) map data points closer to the cluster centroids, which results in a mapping to a k-means-friendly space. To leverage this knowledge, we propose Centroid Based Tailoring as an alternative to the softmax function in the last layer of a neural network. The resulting Gauss network has similar predictive accuracy as traditional networks, but is less susceptible to one-pixel attacks; while the main contribution of this paper is theoretical in nature, the Gauss network contributes empirical auxiliary benefits.


Generalized mean shift with triangular kernel profile

arXiv.org Machine Learning

The mean shift algorithm is a popular way to find modes of some probability density functions taking a specific kernel-based shape, used for clustering or visual tracking. Since its introduction, it underwent several practical improvements and generalizations, as well as deep theoretical analysis mainly focused on its convergence properties. In spite of encouraging results, this question has not received a clear general answer yet. In this paper we focus on a specific class of kernels, adapted in particular to the distributions clustering applications which motivated this work. We show that a novel Mean Shift variant adapted to them can be derived, and proved to converge after a finite number of iterations. In order to situate this new class of methods in the general picture of the Mean Shift theory, we alo give a synthetic exposure of existing results of this field.