We show how graph neural networks can be used to solve the canonical graph coloring problem. We frame graph coloring as a multi-class node classification problem and utilize an unsupervised training strategy based on the statistical physics Potts model. Generalizations to other multi-class problems such as community detection, data clustering, and the minimum clique cover problem are straightforward. We provide numerical benchmark results and illustrate our approach with an end-to-end application for a real-world scheduling use case within a comprehensive encode-process-decode framework. Our optimization approach performs on par or outperforms existing solvers, with the ability to scale to problems with millions of variables.

We introduce a fast and explainable clustering method called CLASSIX. It consists of two phases, namely a greedy aggregation phase of the sorted data into groups of nearby data points, followed by the merging of groups into clusters. The algorithm is controlled by two scalar parameters, namely a distance parameter for the aggregation and another parameter controlling the minimal cluster size. Extensive experiments are conducted to give a comprehensive evaluation of the clustering performance on synthetic and real-world datasets, with various cluster shapes and low to high feature dimensionality. Our experiments demonstrate that CLASSIX competes with state-of-the-art clustering algorithms. The algorithm has linear space complexity and achieves near linear time complexity on a wide range of problems. Its inherent simplicity allows for the generation of intuitive explanations of the computed clusters.

Sparse linear prediction methods suffer from decreased prediction accuracy when the predictor variables have cluster structure (e.g. there are highly correlated groups of variables). To improve prediction accuracy, various methods have been proposed to identify variable clusters from the data and integrate cluster information into a sparse modeling process. But none of these methods achieve satisfactory performance for prediction, variable selection and variable clustering simultaneously. This paper presents Variable Cluster Principal Component Regression (VC-PCR), a prediction method that supervises variable selection and variable clustering in order to solve this problem. Experiments with real and simulated data demonstrate that, compared to competitor methods, VC-PCR achieves better prediction, variable selection and clustering performance when cluster structure is present.

Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as powerful methods for link prediction. Their performances are less impressive on community detection problems where, according to recent and concurring experimental evaluations, they are often outperformed by simpler alternatives such as the Louvain method. It is currently still unclear to which extent one can improve community detection with GAE and VGAE, especially in the absence of node features. It is moreover uncertain whether one could do so while simultaneously preserving good performances on link prediction. In this paper, we show that jointly addressing these two tasks with high accuracy is possible. For this purpose, we introduce and theoretically study a community-preserving message passing scheme, doping our GAE and VGAE encoders by considering both the initial graph structure and modularity-based prior communities when computing embedding spaces. We also propose novel training and optimization strategies, including the introduction of a modularity-inspired regularizer complementing the existing reconstruction losses for joint link prediction and community detection. We demonstrate the empirical effectiveness of our approach, referred to as Modularity-Aware GAE and VGAE, through in-depth experimental validation on various real-world graphs.

Clustering points in a vector space or nodes in a graph is a ubiquitous primitive in statistical data analysis, and it is commonly used for exploratory data analysis. In practice, it is often of interest to "refine" or "improve" a given cluster that has been obtained by some other method. In this survey, we focus on principled algorithms for this cluster improvement problem. Many such cluster improvement algorithms are flow-based methods, by which we mean that operationally they require the solution of a sequence of maximum flow problems on a (typically implicitly) modified data graph. These cluster improvement algorithms are powerful, both in theory and in practice, but they have not been widely adopted for problems such as community detection, local graph clustering, semi-supervised learning, etc. Possible reasons for this are: the steep learning curve for these algorithms; the lack of efficient and easy to use software; and the lack of detailed numerical experiments on real-world data that demonstrate their usefulness. Our objective here is to address these issues. To do so, we guide the reader through the whole process of understanding how to implement and apply these powerful algorithms. We present a unifying fractional programming optimization framework that permits us to distill, in a simple way, the crucial components of all these algorithms. It also makes apparent similarities and differences between related methods. Viewing these cluster improvement algorithms via a fractional programming framework suggests directions for future algorithm development. Finally, we develop efficient implementations of these algorithms in our LocalGraphClustering Python package, and we perform extensive numerical experiments to demonstrate the performance of these methods on social networks and image-based data graphs.

Learning arguments is highly relevant to the field of explainable artificial intelligence. It is a family of symbolic machine learning techniques that is particularly human-interpretable. These techniques learn a set of arguments as an intermediate representation. Arguments are small rules with exceptions that can be chained to larger arguments for making predictions or decisions. We investigate the learning of arguments, specifically the learning of arguments from a 'case model' proposed by Verheij [34]. The case model in Verheij's approach are cases or scenarios in a legal setting. The number of cases in a case model are relatively low. Here, we investigate whether Verheij's approach can be used for learning arguments from other types of data sets with a much larger number of instances. We compare the learning of arguments from a case model with the HeRO algorithm [15] and learning a decision tree.

We propose a general approach for distance based clustering, using the gradient of the cost function that measures clustering quality with respect to cluster assignments and cluster center positions. The approach is an iterative two step procedure (alternating between cluster assignment and cluster center updates) and is applicable to a wide range of functions, satisfying some mild assumptions. The main advantage of the proposed approach is a simple and computationally cheap update rule. Unlike previous methods that specialize to a specific formulation of the clustering problem, our approach is applicable to a wide range of costs, including non-Bregman clustering methods based on the Huber loss. We analyze the convergence of the proposed algorithm, and show that it converges to the set of appropriately defined fixed points, under arbitrary center initialization. In the special case of Bregman cost functions, the algorithm converges to the set of centroidal Voronoi partitions, which is consistent with prior works. Numerical experiments on real data demonstrate the effectiveness of the proposed method.

Learning is a distinctive feature of intelligent behaviour. High-throughput experimental data and Big Data promise to open new windows on complex systems such as cells, the brain or our societies. Yet, the puzzling success of Artificial Intelligence and Machine Learning shows that we still have a poor conceptual understanding of learning. These applications push statistical inference into uncharted territories where data is high-dimensional and scarce, and prior information on "true" models is scant if not totally absent. Here we review recent progress on understanding learning, based on the notion of "relevance". The relevance, as we define it here, quantifies the amount of information that a dataset or the internal representation of a learning machine contains on the generative model of the data. This allows us to define maximally informative samples, on one hand, and optimal learning machines on the other. These are ideal limits of samples and of machines, that contain the maximal amount of information about the unknown generative process, at a given resolution (or level of compression). Both ideal limits exhibit critical features in the statistical sense: Maximally informative samples are characterised by a power-law frequency distribution (statistical criticality) and optimal learning machines by an anomalously large susceptibility. The trade-off between resolution (i.e. compression) and relevance distinguishes the regime of noisy representations from that of lossy compression. These are separated by a special point characterised by Zipf's law statistics. This identifies samples obeying Zipf's law as the most compressed loss-less representations that are optimal in the sense of maximal relevance. Criticality in optimal learning machines manifests in an exponential degeneracy of energy levels, that leads to unusual thermodynamic properties.

This article discusses a particular case of the data clustering problem, where it is necessary to find groups of adjacent text segments of the appropriate length that match a fuzzy pattern represented as a sequence of fuzzy properties. To solve this problem, a heuristic algorithm for finding a sufficiently large number of solutions is proposed. The key idea of the proposed algorithm is the use of the prefix structure to track the process of mapping text segments to fuzzy properties. An important special case of the text segmentation problem is the fuzzy string matching problem, when adjacent text segments have unit length and, accordingly, the fuzzy pattern is a sequence of fuzzy properties of text characters. It is proven that the heuristic segmentation algorithm in this case finds all text segments that match the fuzzy pattern. Finally, we consider the problem of a best segmentation of the entire text based on a fuzzy pattern, which is solved using the dynamic programming method.

Random partition models are widely used in Bayesian methods for various clustering tasks, such as mixture models, topic models, and community detection problems. While the number of clusters induced by random partition models has been studied extensively, another important model property regarding the balancedness of cluster sizes has been largely neglected. We formulate a framework to define and theoretically study the balancedness of exchangeable random partition models, by analyzing how a model assigns probabilities to partitions with different levels of balancedness. We demonstrate that the "rich-get-richer" characteristic of many existing popular random partition models is an inevitable consequence of two common assumptions: product-form exchangeability and projectivity. We propose a principled way to compare the balancedness of random partition models, which gives a better understanding of what model works better and what doesn't for different applications. We also introduce the "rich-get-poorer" random partition models and illustrate their application to entity resolution tasks.