Clustering
A high-bias, low-variance introduction to Machine Learning for physicists
Mehta, Pankaj, Bukov, Marin, Wang, Ching-Hao, Day, Alexandre G. R., Richardson, Clint, Fisher, Charles K., Schwab, David J.
Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily understood and intuitive to physicists. The review begins by covering fundamental concepts in ML and modern statistics such as the bias-variance tradeoff, overfitting, regularization, and generalization before moving on to more advanced topics in both supervised and unsupervised learning. Topics covered in the review include ensemble models, deep learning and neural networks, clustering and data visualization, energy-based models (including MaxEnt models and Restricted Boltzmann Machines), and variational methods. Throughout, we emphasize the many natural connections between ML and statistical physics. A notable aspect of the review is the use of Python notebooks to introduce modern ML/statistical packages to readers using physics-inspired datasets (the Ising Model and Monte-Carlo simulations of supersymmetric decays of proton-proton collisions). We conclude with an extended outlook discussing possible uses of machine learning for furthering our understanding of the physical world as well as open problems in ML where physicists maybe able to contribute. (Notebooks are available at https://physics.bu.edu/~pankajm/MLnotebooks.html )
Clustering to Reduce Spatial Data Set Size
Traditionally it had been a problem that researchers did not have access to enough spatial data to answer pressing research questions or build compelling visualizations. Today, however, the problem is often that we have too much data. Spatially redundant or approximately redundant points may refer to a single feature (plus noise) rather than many distinct spatial features. We can use density-based clustering to compress such spatial data into a set of representative features. This paper demonstrates how to reduce the size of a spatial data set of GPS latitude-longitude coordinates using the Python programming language and its scikitlearn implementation of the DBSCAN density-based clustering algorithm. DBSCAN works very well in low-dimension space, such as the two-dimensional feature space in this geospatial example.
Adaptive Estimation in Structured Factor Models with Applications to Overlapping Clustering
Bing, Xin, Bunea, Florentina, Ning, Yang, Wegkamp, Marten
This work introduces a novel estimation method, called LOVE, of the entries and structure of a loading matrix A in a sparse latent factor model X = AZ + E, for an observable random vector X in Rp, with correlated unobservable factors Z \in RK, with K unknown, and independent noise E. Each row of A is scaled and sparse. In order to identify the loading matrix A, we require the existence of pure variables, which are components of X that are associated, via A, with one and only one latent factor. Despite the fact that the number of factors K, the number of the pure variables, and their location are all unknown, we only require a mild condition on the covariance matrix of Z, and a minimum of only two pure variables per latent factor to show that A is uniquely defined, up to signed permutations. Our proofs for model identifiability are constructive, and lead to our novel estimation method of the number of factors and of the set of pure variables, from a sample of size n of observations on X. This is the first step of our LOVE algorithm, which is optimization-free, and has low computational complexity of order p2. The second step of LOVE is an easily implementable linear program that estimates A. We prove that the resulting estimator is minimax rate optimal up to logarithmic factors in p. The model structure is motivated by the problem of overlapping variable clustering, ubiquitous in data science. We define the population level clusters as groups of those components of X that are associated, via the sparse matrix A, with the same unobservable latent factor, and multi-factor association is allowed. Clusters are respectively anchored by the pure variables, and form overlapping sub-groups of the p-dimensional random vector X. The Latent model approach to OVErlapping clustering is reflected in the name of our algorithm, LOVE.
Machine Learning on DARWIN Datasets (MLD-I) Darwinex Blog
Machine learning in essence, is the research and application of algorithms that help us better understand data. By leveraging statistical learning techniques from the realm of machine learning, practitioners are able to draw meaningful inferences from and turn data into actionable intelligence. Furthermore, the availability of several open source machine learning tools, platforms and libraries today enables absolutely anyone to break into this field, utilizing a plethora of powerful algorithms to discover exploitable patterns in data and predict future outcomes. This development in particular has given rise to a new wave of DIY retail traders, creating sophisticated trading strategies that compete (and in some cases, outperform others) in a space previously dominated by just institutional participants. In this introductory blog post, we will discuss supportive reasoning for, and different categories of machine learning.
Generating Redundant Features with Unsupervised Multi-Tree Genetic Programming
Lensen, Andrew, Xue, Bing, Zhang, Mengjie
Recently, feature selection has become an increasingly important area of research due to the surge in high-dimensional datasets in all areas of modern life. A plethora of feature selection algorithms have been proposed, but it is difficult to truly analyse the quality of a given algorithm. Ideally, an algorithm would be evaluated by measuring how well it removes known bad features. Acquiring datasets with such features is inherently difficult, and so a common technique is to add synthetic bad features to an existing dataset. While adding noisy features is an easy task, it is very difficult to automatically add complex, redundant features. This work proposes one of the first approaches to generating redundant features, using a novel genetic programming approach. Initial experiments show that our proposed method can automatically create difficult, redundant features which have the potential to be used for creating high-quality feature selection benchmark datasets. Keywords: Genetic Programming, Feature Creation, Feature Construction, Feature Selection, Mutual Information, Evolutionary Computation 1 Introduction Feature Selection (FS) techniques aim to remove features from a dataset which are less useful than others.
Recursive nearest agglomeration (ReNA): fast clustering for approximation of structured signals
Hoyos-Idrobo, Andrรฉs, Varoquaux, Gaรซl, Kahn, Jonas, Thirion, Bertrand
In this work, we revisit fast dimension reduction approaches, as with random projections and random sampling. Our goal is to summarize the data to decrease computational costs and memory footprint of subsequent analysis. Such dimension reduction can be very efficient when the signals of interest have a strong structure, such as with images. We focus on this setting and investigate feature clustering schemes for data reductions that capture this structure. An impediment to fast dimension reduction is that good clustering comes with large algorithmic costs. We address it by contributing a linear-time agglomerative clustering scheme, Recursive Nearest Agglomeration (ReNA). Unlike existing fast agglomerative schemes, it avoids the creation of giant clusters. We empirically validate that it approximates the data as well as traditional variance-minimizing clustering schemes that have a quadratic complexity. In addition, we analyze signal approximation with feature clustering and show that it can remove noise, improving subsequent analysis steps. As a consequence, data reduction by clustering features with ReNA yields very fast and accurate models, enabling to process large datasets on budget. Our theoretical analysis is backed by extensive experiments on publicly-available data that illustrate the computation efficiency and the denoising properties of the resulting dimension reduction scheme.
Rare Feature Selection in High Dimensions
It is common in modern prediction problems for many predictor variables to be counts of rarely occurring events. This leads to design matrices in which many columns are highly sparse. The challenge posed by such "rare features" has received little attention despite its prevalence in diverse areas, ranging from natural language processing (e.g., rare words) to biology (e.g., rare species). We show, both theoretically and empirically, that not explicitly accounting for the rareness of features can greatly reduce the effectiveness of an analysis. We next propose a framework for aggregating rare features into denser features in a flexible manner that creates better predictors of the response. Our strategy leverages side information in the form of a tree that encodes feature similarity. We apply our method to data from TripAdvisor, in which we predict the numerical rating of a hotel based on the text of the associated review. Our method achieves high accuracy by making effective use of rare words; by contrast, the lasso is unable to identify highly predictive words if they are too rare. A companion R package, called rare, implements our new estimator, using the alternating direction method of multipliers.
Estimation of lactate threshold with machine learning techniques in recreational runners
Etxegarai, Urtats, Portillo, Eva, Irazusta, Jon, Arriandiaga, Ander, Cabanes, Itziar
Lactate threshold is considered an essential parameter when assessing performance of elite and recreational runners and prescribing training intensities in endurance sports. However, the measurement of blood lactate concentration requires expensive equipment and the extraction of blood samples, which are inconvenient for frequent monitoring. Furthermore, most recreational runners do not have access to routine assessment of their physical fitness by the aforementioned equipment so they are not able to calculate the lactate threshold without resorting to an expensive and specialized centre. Therefore, the main objective of this study is to create an intelligent system capable of estimating the lactate threshold of recreational athletes participating in endurance running sports. The solution here proposed is based on a machine learning system which models the lactate evolution using recurrent neural networks and includes the proposal of standardization of the temporal axis as well as a modification of the stratified sampling method. The results show that the proposed system accurately estimates the lactate threshold of 89.52% of the athletes and its correlation with the experimentally measured lactate threshold is very high (R=0,89). Moreover, its behaviour with the test dataset is as good as with the training set, meaning that the generalization power of the model is high. Therefore, in this study a machine learning based system is proposed as alternative to the traditional invasive lactate threshold measurement tests for recreational runners.
Provable Estimation of the Number of Blocks in Block Models
Yan, Bowei, Sarkar, Purnamrita, Cheng, Xiuyuan
Community detection is a fundamental unsupervised learning problem for unlabeled networks which has a broad range of applications. Many community detection algorithms assume that the number of clusters $r$ is known apriori. In this paper, we propose an approach based on semi-definite relaxations, which does not require prior knowledge of model parameters like many existing convex relaxation methods and recovers the number of clusters and the clustering matrix exactly under a broad parameter regime, with probability tending to one. On a variety of simulated and real data experiments, we show that the proposed method often outperforms state-of-the-art techniques for estimating the number of clusters.
Provable Convex Co-clustering of Tensors
Chi, Eric C., Gaines, Brian R., Sun, Will Wei, Zhou, Hua, Yang, Jian
Cluster analysis is a fundamental tool for pattern discovery of complex heterogeneous data. Prevalent clustering methods mainly focus on vector or matrix-variate data and are not applicable to general-order tensors, which arise frequently in modern scientific and business applications. Moreover, there is a gap between statistical guarantees and computational efficiency for existing tensor clustering solutions due to the nature of their non-convex formulations. In this work, we bridge this gap by developing a provable convex formulation of tensor co-clustering. Our convex co-clustering (CoCo) estimator enjoys stability guarantees and is both computationally and storage efficient. We further establish a non-asymptotic error bound for the CoCo estimator, which reveals a surprising "blessing of dimensionality" phenomenon that does not exist in vector or matrix-variate cluster analysis. Our theoretical findings are supported by extensive simulated studies. Finally, we apply the CoCo estimator to the cluster analysis of advertisement click tensor data from a major online company. Our clustering results provide meaningful business insights to improve advertising effectiveness.