We present a novel probabilistic clustering model for objects that are represented via pairwise distances and observed at different time points. The proposed method utilizes the information given by adjacent time points to find the underlying cluster structure and obtain a smooth cluster evolution. This approach allows the number of objects and clusters to differ at every time point, and no identification on the identities of the objects is needed. Further, the model does not require the number of clusters being specified in advance -- they are instead determined automatically using a Dirichlet process prior. We validate our model on synthetic data showing that the proposed method is more accurate than state-of-the-art clustering methods. Finally, we use our dynamic clustering model to analyze and illustrate the evolution of brain cancer patients over time.

The alignment of a set of objects by means of transformations plays an important role in computer vision. Whilst the case for only two objects can be solved globally, when multiple objects are considered usually iterative methods are used. In practice the iterative methods perform well if the relative transformations between any pair of objects are free of noise. However, if only noisy relative transformations are available (e.g. due to missing data or wrong correspondences) the iterative methods may fail. Based on the observation that the underlying noise-free transformations can be retrieved from the null space of a matrix that can directly be obtained from pairwise alignments, this paper presents a novel method for the synchronisation of pairwise transformations such that they are transitively consistent. Simulations demonstrate that for noisy transformations, a large proportion of missing data and even for wrong correspondence assignments the method delivers encouraging results.

Active learning has shown to reduce the number of experiments needed to obtain high-confidence drug-target predictions. However, in order to actually save experiments using active learning, it is crucial to have a method to evaluate the quality of the current prediction and decide when to stop the experimentation process. Only by applying reliable stoping criteria to active learning, time and costs in the experimental process can be actually saved. We compute active learning traces on simulated drug-target matrices in order to learn a regression model for the accuracy of the active learner. By analyzing the performance of the regression model on simulated data, we design stopping criteria for previously unseen experimental matrices. We demonstrate on four previously characterized drug effect data sets that applying the stopping criteria can result in upto 40% savings of the total experiments for highly accurate predictions.

Many modern tools in machine learning and signal processing, such as sparse dictionary learning, principal component analysis (PCA), non-negative matrix factorization (NMF), $K$-means clustering, etc., rely on the factorization of a matrix obtained by concatenating high-dimensional vectors from a training collection. While the idealized task would be to optimize the expected quality of the factors over the underlying distribution of training vectors, it is achieved in practice by minimizing an empirical average over the considered collection. The focus of this paper is to provide sample complexity estimates to uniformly control how much the empirical average deviates from the expected cost function. Standard arguments imply that the performance of the empirical predictor also exhibit such guarantees. The level of genericity of the approach encompasses several possible constraints on the factors (tensor product structure, shift-invariance, sparsity \ldots), thus providing a unified perspective on the sample complexity of several widely used matrix factorization schemes. The derived generalization bounds behave proportional to $\sqrt{\log(n)/n}$ w.r.t.\ the number of samples $n$ for the considered matrix factorization techniques.

We show that accelerated gradient descent, averaged gradient descent and the heavy-ball method for non-strongly-convex problems may be reformulated as constant parameter second-order difference equation algorithms, where stability of the system is equivalent to convergence at rate O(1/n 2), where n is the number of iterations. We provide a detailed analysis of the eigenvalues of the corresponding linear dynamical system , showing various oscillatory and non-oscillatory behaviors, together with a sharp stability result with explicit constants. We also consider the situation where noisy gradients are available, where we extend our general convergence result, which suggests an alternative algorithm (i.e., with different step sizes) that exhibits the good aspects of both averaging and acceleration.

We introduce the hyperparameter search problem in the field of machine learning and discuss its main challenges from an optimization perspective. Machine learning methods attempt to build models that capture some element of interest based on given data. Most common learning algorithms feature a set of hyperparameters that must be determined before training commences. The choice of hyperparameters can significantly affect the resulting model's performance, but determining good values can be complex; hence a disciplined, theoretically sound search strategy is essential.

We consider the classic problem of establishing a statistical ranking of a set of n items given a set of inconsistent and incomplete pairwise comparisons between such items. Instantiations of this problem occur in numerous applications in data analysis (e.g., ranking teams in sports data), computer vision, and machine learning. We formulate the above problem of ranking with incomplete noisy information as an instance of the group synchronization problem over the group SO(2) of planar rotations, whose usefulness has been demonstrated in numerous applications in recent years. Its least squares solution can be approximated by either a spectral or a semidefinite programming (SDP) relaxation, followed by a rounding procedure. We perform extensive numerical simulations on both synthetic and real-world data sets, showing that our proposed method compares favorably to other algorithms from the recent literature. Existing theoretical guarantees on the group synchronization problem imply lower bounds on the largest amount of noise permissible in the ranking data while still achieving exact recovery. We propose a similar synchronization-based algorithm for the rank-aggregation problem, which integrates in a globally consistent ranking pairwise comparisons given by different rating systems on the same set of items. We also discuss the problem of semi-supervised ranking when there is available information on the ground truth rank of a subset of players, and propose an algorithm based on SDP which recovers the ranks of the remaining players. Finally, synchronization-based ranking, combined with a spectral technique for the densest subgraph problem, allows one to extract locally-consistent partial rankings, in other words, to identify the rank of a small subset of players whose pairwise comparisons are less noisy than the rest of the data, which other methods are not able to identify.

We define the beta diffusion tree, a random tree structure with a set of leaves that defines a collection of overlapping subsets of objects, known as a feature allocation. A generative process for the tree structure is defined in terms of particles (representing the objects) diffusing in some continuous space, analogously to the Dirichlet diffusion tree (Neal, 2003), which defines a tree structure over partitions (i.e., non-overlapping subsets) of the objects. Unlike in the Dirichlet diffusion tree, multiple copies of a particle may exist and diffuse along multiple branches in the beta diffusion tree, and an object may therefore belong to multiple subsets of particles. We demonstrate how to build a hierarchically-clustered factor analysis model with the beta diffusion tree and how to perform inference over the random tree structures with a Markov chain Monte Carlo algorithm. We conclude with several numerical experiments on missing data problems with data sets of gene expression microarrays, international development statistics, and intranational socioeconomic measurements.

Diffusion magnetic resonance imaging (dMRI) data allow to reconstruct the 3D pathways of axons within the white matter of the brain as a tractography. The analysis of tractographies has drawn attention from the machine learning and pattern recognition communities providing novel challenges such as finding an appropriate representation space for the data. Many of the current learning algorithms require the input to be from a vectorial space. This requirement contrasts with the intrinsic nature of the tractography because its basic elements, called streamlines or tracks, have different lengths and different number of points and for this reason they cannot be directly represented in a common vectorial space. In this work we propose the adoption of the dissimilarity representation which is an Euclidean embedding technique defined by selecting a set of streamlines called prototypes and then mapping any new streamline to the vector of distances from prototypes. We investigate the degree of approximation of this projection under different prototype selection policies and prototype set sizes in order to characterise its use on tractography data. Additionally we propose the use of a scalable approximation of the most effective prototype selection policy that provides fast and accurate dissimilarity approximations of complete tractographies.

This paper presents the first theoretical results showing that stable identification of overcomplete $\mu$-coherent dictionaries $\Phi \in \mathbb{R}^{d\times K}$ is locally possible from training signals with sparsity levels $S$ up to the order $O(\mu^{-2})$ and signal to noise ratios up to $O(\sqrt{d})$. In particular the dictionary is recoverable as the local maximum of a new maximisation criterion that generalises the K-means criterion. For this maximisation criterion results for asymptotic exact recovery for sparsity levels up to $O(\mu^{-1})$ and stable recovery for sparsity levels up to $O(\mu^{-2})$ as well as signal to noise ratios up to $O(\sqrt{d})$ are provided. These asymptotic results translate to finite sample size recovery results with high probability as long as the sample size $N$ scales as $O(K^3dS \tilde \varepsilon^{-2})$, where the recovery precision $\tilde \varepsilon$ can go down to the asymptotically achievable precision. Further, to actually find the local maxima of the new criterion, a very simple Iterative Thresholding and K (signed) Means algorithm (ITKM), which has complexity $O(dKN)$ in each iteration, is presented and its local efficiency is demonstrated in several experiments.