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Constrained clustering has gained significant attention in the field of machine learning as it can leverage prior information on a growing amount of only partially labeled data. Following recent advances in deep generative models, we propose a novel framework for constrained clustering that is intuitive, interpretable, and can be trained efficiently in the framework of stochastic gradient variational inference. By explicitly integrating domain knowledge in the form of probabilistic relations, our proposed model (DC-GMM) uncovers the underlying distribution of data conditioned on prior clustering preferences, expressed as pairwise constraints. These constraints guide the clustering process towards a desirable partition of the data by indicating which samples should or should not belong to the same cluster. We provide extensive experiments to demonstrate that DC-GMM shows superior clustering performances and robustness compared to state-of-the-art deep constrained clustering methods on a wide range of data sets. We further demonstrate the usefulness of our approach on two challenging real-world applications.

We propose confidence regions with asymptotically correct uniform coverage probability of parameters whose Fisher information matrix can be singular at important points of the parameter set. Our work is motivated by the need for reliable inference on scale parameters close or equal to zero in mixed models, which is obtained as a special case. The confidence regions are constructed by inverting a continuous extension of the score test statistic standardized by expected information, which we show exists at points of singular information under regularity conditions. Similar results have previously only been obtained for scalar parameters, under conditions stronger than ours, and applications to mixed models have not been considered. In simulations our confidence regions have near-nominal coverage with as few as $n = 20$ independent observations, regardless of how close to the boundary the true parameter is. It is a corollary of our main results that the proposed test statistic has an asymptotic chi-square distribution with degrees of freedom equal to the number of tested parameters, even if they are on the boundary of the parameter set.

Black-box machine learning learning methods are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Distribution-free uncertainty quantification (distribution-free UQ) is a user-friendly paradigm for creating statistically rigorous confidence intervals/sets for such predictions. Critically, the intervals/sets are valid without distributional assumptions or model assumptions, possessing explicit guarantees even with finitely many datapoints. Moreover, they adapt to the difficulty of the input; when the input example is difficult, the uncertainty intervals/sets are large, signaling that the model might be wrong. Without much work and without retraining, one can use distribution-free methods on any underlying algorithm, such as a neural network, to produce confidence sets guaranteed to contain the ground truth with a user-specified probability, such as 90%. Indeed, the methods are easy-to-understand and general, applying to many modern prediction problems arising in the fields of computer vision, natural language processing, deep reinforcement learning, and so on. This hands-on introduction is aimed at a reader interested in the practical implementation of distribution-free UQ who is not necessarily a statistician. We lead the reader through the practical theory and applications of distribution-free UQ, beginning with conformal prediction and culminating with distribution-free control of any risk, such as the false-discovery rate, false positive rate of out-of-distribution detection, and so on. We will include many explanatory illustrations, examples, and code samples in Python, with PyTorch syntax. The goal is to provide the reader a working understanding of distribution-free UQ, allowing them to put confidence intervals on their algorithms, with one self-contained document.

Random forests are considered one of the best out-of-the-box classification and regression algorithms due to their high level of predictive performance with relatively little tuning. Pairwise proximities can be computed from a trained random forest which measure the similarity between data points relative to the supervised task. Random forest proximities have been used in many applications including the identification of variable importance, data imputation, outlier detection, and data visualization. However, existing definitions of random forest proximities do not accurately reflect the data geometry learned by the random forest. In this paper, we introduce a novel definition of random forest proximities called Random Forest-Geometry- and Accuracy-Preserving proximities (RF-GAP). We prove that the proximity-weighted sum (regression) or majority vote (classification) using RF-GAP exactly match the out-of-bag random forest prediction, thus capturing the data geometry learned by the random forest. We empirically show that this improved geometric representation outperforms traditional random forest proximities in tasks such as data imputation and provides outlier detection and visualization results consistent with the learned data geometry.

In this paper we propose a new methodology for testing the parametric forms of the mean and variance functions based on weighted residual empirical processes and their martingale transformations in regression models. The dimensions of the parameter vectors can be divergent as the sample size goes to infinity. We then study the convergence of weighted residual empirical processes and their martingale transformation under the null and alternative hypotheses in the diverging dimension setting. The proposed tests based on weighted residual empirical processes can detect local alternatives distinct from the null at the fastest possible rate of order $n^{-1/2}$ but are not asymptotically distribution-free. While the tests based on martingale transformed weighted residual empirical processes can be asymptotically distribution-free, yet, unexpectedly, can only detect the local alternatives converging to the null at a much slower rate of order $n^{-1/4}$, which is somewhat different from existing asymptotically distribution-free tests based on martingale transformations. As the tests based on the residual empirical process are not distribution-free, we propose a smooth residual bootstrap and verify the validity of its approximation in diverging dimension settings. Simulation studies and a real data example are conducted to illustrate the effectiveness of our tests.

This paper presents an algorithm to generate a new kind of polygonal mesh obtained from triangulations. Each polygon is built from a terminal-edge region surrounded by edges that are not the longest-edge of any of the two triangles that share them. The algorithm is divided into three phases. The first phase consists of labeling each edge and triangle of the input triangulation according to its size; the second phase builds polygons (simple or not) from terminal-edges regions using the label system; and the third phase transforms each non simple polygon into simple ones. The final mesh contains polygons with convex and nonconvex shape. Since Voronoi based meshes are currently the most used polygonal meshes, we compare some geometric properties of our meshes against constrained Voronoi meshes. Several experiments are run to compare the shape and size of polygons, the number of final mesh points and polygons. Finally, we validate these polygonal meshes by solving a Laplace equation on an L-shaped domain using the Virtual Element Method (VEM) and show the optimal convergence rate of the numerical solution.

We present a new clustering method in the form of a single clustering equation that is able to directly discover groupings in the data. The main proposition is that the first neighbor of each sample is all one needs to discover large chains and finding the groups in the data. In contrast to most existing clustering algorithms our method does not require any hyper-parameters, distance thresholds and/or the need to specify the number of clusters. The proposed algorithm belongs to the family of hierarchical agglomerative methods. The technique has a very low computational overhead, is easily scalable and applicable to large practical problems. Evaluation on well known datasets from different domains ranging between 1077 and 8.1 million samples shows substantial performance gains when compared to the existing clustering techniques.

Discrete random structures are important tools in Bayesian nonparametrics and the resulting models have proven effective in density estimation, clustering, topic modeling and prediction, among others. In this paper, we consider nested processes and study the dependence structures they induce. Dependence ranges between homogeneity, corresponding to full exchangeability, and maximum heterogeneity, corresponding to (unconditional) independence across samples. The popular nested Dirichlet process is shown to degenerate to the fully exchangeable case when there are ties across samples at the observed or latent level. To overcome this drawback, inherent to nesting general discrete random measures, we introduce a novel class of latent nested processes. These are obtained by adding common and group-specific completely random measures and, then, normalising to yield dependent random probability measures. We provide results on the partition distributions induced by latent nested processes, and develop an Markov Chain Monte Carlo sampler for Bayesian inferences. A test for distributional homogeneity across groups is obtained as a by product. The results and their inferential implications are showcased on synthetic and real data.

In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.