Recent advances in center-based clustering continue to improve upon the drawbacks of Lloyd's celebrated $k$-means algorithm over $60$ years after its introduction. Various methods seek to address poor local minima, sensitivity to outliers, and data that are not well-suited to Euclidean measures of fit, but many are supported largely empirically. Moreover, combining such approaches in a piecemeal manner can result in ad hoc methods, and the limited theoretical results supporting each individual contribution may no longer hold. Toward addressing these issues in a principled way, this paper proposes a cohesive robust framework for center-based clustering under a general class of dissimilarity measures. In particular, we present a rigorous theoretical treatment within a Median-of-Means (MoM) estimation framework, showing that it subsumes several popular $k$-means variants. In addition to unifying existing methods, we derive uniform concentration bounds that complete their analyses, and bridge these results to the MoM framework via Dudley's chaining arguments. Importantly, we neither require any assumptions on the distribution of the outlying observations nor on the relative number of observations $n$ to features $p$. We establish strong consistency and an error rate of $O(n^{-1/2})$ under mild conditions, surpassing the best-known results in the literature. The methods are empirically validated thoroughly on real and synthetic datasets.

We propose a three-stage framework for forecasting high-dimensional time-series data. Our method first estimates parameters for each univariate time series. Next, we use these parameters to cluster the time series. These clusters can be viewed as multivariate time series, for which we then compute parameters. The forecasted values of a single time series can depend on the history of other time series in the same cluster, accounting for intra-cluster similarity while minimizing potential noise in predictions by ignoring inter-cluster effects. Our framework -- which we refer to as "cluster-and-conquer" -- is highly general, allowing for any time-series forecasting and clustering method to be used in each step. It is computationally efficient and embarrassingly parallel. We motivate our framework with a theoretical analysis in an idealized mixed linear regression setting, where we provide guarantees on the quality of the estimates. We accompany these guarantees with experimental results that demonstrate the advantages of our framework: when instantiated with simple linear autoregressive models, we are able to achieve state-of-the-art results on several benchmark datasets, sometimes outperforming deep-learning-based approaches.

Spatial and spatiotemporal prediction tasks are common in applications ranging from environmental sciences to archaeology and epidemiology. While sophisticated mathematical frameworks have long been developed in spatial statistics to characterize predictive uncertainties under well-defined mathematical assumptions such as intrinsic stationarity (e.g., Cressie 1993), computational estimation procedures have only been proposed more recently to assess predictive performances of spatial and spatiotemporal prediction models (Brenning 2005, 2012; Pohjankukka, Pahikkala, Nevalainen, and Heikkonen 2017; Roberts, Bahn, Ciuti, Boyce, Elith, Guillera-Arroita, Hauenstein, Lahoz-Monfort, Schröder, Thuiller, Warton, Wintle, Hartig, and Dormann 2017). Although alternatives such as the bootstrap exist since some decades (Efron and Gong 1983; Hand 1997), cross-validation (CV) is a particularly well-established, easy-to-implement algorithm for model assessment of supervised machine-learning models (Efron and Gong 1983, and next section) and model selection (Arlot and Celisse 2010). In its basic form, CV is based on resampling the data without paying attention to any possible dependence structure, which may arise from, e.g., grouped or structured data, or underlying environmental processes inducing some sort of spatial coherence at the landscape scale. In treating dependent observations as independent, or ignoring autocorrelation, CV test samples may in fact be heavily correlated with, or even pseudo-replicates of, the data used for training the model, which introduces a potentially severe bias in assessing the transferability of flexible machine-learning (ML) models.

Application of independent component analysis (ICA) as an unmixing and image clustering technique for high spatial resolution Raman maps is reported. A hyperspectral map of a fixed human cell was collected by a Raman micro spectrometer in a raster pattern on a 0.5-µm grid. Unlike previously used unsupervised machine learning techniques such as principal component analysis, ICA is based on non-Gaussianity and statistical independence of data which is the case for mixture Raman spectra. Hence, ICA is a great candidate for assembling pseudo-colour maps from the spectral hypercube of Raman spectra. Our experimental results revealed that ICA is capable of reconstructing false colour maps of Raman hyperspectral data of human cells, showing the nuclear region constituents as well as subcellular organelle in the cytoplasm and distribution of mitochondria in the perinuclear region.

Several clustering methods (e.g., Normalized Cut and Ratio Cut) divide the Min Cut cost function by a cluster-dependent factor (e.g., the size or the degree of the clusters), in order to yield a more balanced partitioning. We, instead, investigate adding such regularizations to the original cost function. We first consider the case where the regularization term is the sum of the squared size of the clusters, and then generalize it to adaptive regularization of the pairwise similarities. This leads to shifting (adaptively) the pairwise similarities which might make some of them negative. We then study the connection of this method to Correlation Clustering and then propose an efficient local search optimization algorithm with fast theoretical convergence rate to solve the new clustering problem. In the following, we investigate the shift of pairwise similarities on some common clustering methods, and finally, we demonstrate the superior performance of the method by extensive experiments on different datasets.

Learning multi-view data is an emerging problem in machine learning research, and nonnegative matrix factorization (NMF) is a popular dimensionality-reduction method for integrating information from multiple views. These views often provide not only consensus but also diverse information. However, most multi-view NMF algorithms assign equal weight to each view or tune the weight via line search empirically, which can be computationally expensive or infeasible without any prior knowledge of the views. In this paper, we propose a weighted multi-view NMF (WM-NMF) algorithm. In particular, we aim to address the critical technical gap, which is to learn both view-specific and observation-specific weights to quantify each view's information content. The introduced weighting scheme can alleviate unnecessary views' adverse effects and enlarge the positive effects of the important views by assigning smaller and larger weights, respectively. In addition, we provide theoretical investigations about the convergence, perturbation analysis, and generalization error of the WM-NMF algorithm. Experimental results confirm the effectiveness and advantages of the proposed algorithm in terms of achieving better clustering performance and dealing with the corrupted data compared to the existing algorithms.

With the explosive growth of information technology, multi-view graph data have become increasingly prevalent and valuable. Most existing multi-view clustering techniques either focus on the scenario of multiple graphs or multi-view attributes. In this paper, we propose a generic framework to cluster multi-view attributed graph data. Specifically, inspired by the success of contrastive learning, we propose multi-view contrastive graph clustering (MCGC) method to learn a consensus graph since the original graph could be noisy or incomplete and is not directly applicable. Our method composes of two key steps: we first filter out the undesirable high-frequency noise while preserving the graph geometric features via graph filtering and obtain a smooth representation of nodes; we then learn a consensus graph regularized by graph contrastive loss. Results on several benchmark datasets show the superiority of our method with respect to state-of-the-art approaches. In particular, our simple approach outperforms existing deep learning-based methods.

Assessing the personality of software engineers may help to match individual traits with the characteristics of development activities such as code review and testing, as well as support managers in team composition. However, self-assessment questionnaires are not a practical solution for collecting multiple observations on a large scale. Instead, automatic personality detection, while overcoming these limitations, is based on off-the-shelf solutions trained on non-technical corpora, which might not be readily applicable to technical domains like Software Engineering (SE). In this paper, we first assess the performance of general-purpose personality detection tools when applied to a technical corpus of developers' emails retrieved from the public archives of the Apache Software Foundation. We observe a general low accuracy of predictions and an overall disagreement among the tools. Second, we replicate two previous research studies in SE by replacing the personality detection tool used to infer developers' personalities from pull-request discussions and emails. We observe that the original results are not confirmed, i.e., changing the tool used in the original study leads to diverging conclusions. Our results suggest a need for personality detection tools specially targeted for the software engineering domain.

Compressive learning is an approach to efficient large scale learning based on sketching an entire dataset to a single mean embedding (the sketch), i.e. a vector of generalized moments. The learning task is then approximately solved as an inverse problem using an adapted parametric model. Previous works in this context have focused on sketches obtained by averaging random features, that while universal can be poorly adapted to the problem at hand. In this paper, we propose and study the idea of performing sketching based on data-dependent Nystr\"om approximation. From a theoretical perspective we prove that the excess risk can be controlled under a geometric assumption relating the parametric model used to learn from the sketch and the covariance operator associated to the task at hand. Empirically, we show for k-means clustering and Gaussian modeling that for a fixed sketch size, Nystr\"om sketches indeed outperform those built with random features.

This paper presents noise-robust clustering techniques in unsupervised machine learning. The uncertainty about the noise, consistency, and other ambiguities can become severe obstacles in data analytics. As a result, data quality, cleansing, management, and governance remain critical disciplines when working with Big Data. With this complexity, it is no longer sufficient to treat data deterministically as in a classical setting, and it becomes meaningful to account for noise distribution and its impact on data sample values. Classical clustering methods group data into "similarity classes" depending on their relative distances or similarities in the underlying space. This paper addressed this problem via the extension of classical $K$-means and $K$-medoids clustering over data distributions (rather than the raw data). This involves measuring distances among distributions using two types of measures: the optimal mass transport (also called Wasserstein distance, denoted $W_2$) and a novel distance measure proposed in this paper, the expected value of random variable distance (denoted ED). The presented distribution-based $K$-means and $K$-medoids algorithms cluster the data distributions first and then assign each raw data to the cluster of data's distribution.