Computed tomography (CT) equivalent information is needed for attenuation correction in PET imaging and for dose planning in radiotherapy. Prior work has shown that Gaussian mixture models can be used to generate a substitute CT (s-CT) image from a specific set of MRI modalities. This work introduces a more flexible class of mixture models for s-CT generation, that incorporates spatial dependency in the data through a Markov random field prior on the latent field of class memberships associated with a mixture model. Furthermore, the mixture distributions are extended from Gaussian to normal inverse Gaussian (NIG), allowing heavier tails and skewness. The amount of data needed to train a model for s-CT generation is of the order of 100 million voxels. The computational efficiency of the parameter estimation and prediction methods are hence paramount, especially when spatial dependency is included in the models. A stochastic Expectation Maximization (EM) gradient algorithm is proposed in order to tackle this challenge. The advantages of the spatial model and NIG distributions are evaluated with a cross-validation study based on data from 14 patients. The study show that the proposed model enhances the predictive quality of the s-CT images by reducing the mean absolute error with 17.9%. Also, the distribution of CT values conditioned on the MR images are better explained by the proposed model as evaluated using continuous ranked probability scores.

We consider Blackwell approachability, a very powerful and geometric tool in game theory, used for example to design strategies of the uninformed player in repeated games with incomplete information. We extend this theory to "generalized quitting games" , a class of repeated stochastic games in which each player may have quitting actions, such as the Big-Match. We provide three simple geometric and strongly related conditions for the weak approachability of a convex target set. The first is sufficient: it guarantees that, for any fixed horizon, a player has a strategy ensuring that the expected time-average payoff vector converges to the target set as horizon goes to infinity. The third is necessary: if it is not satisfied, the opponent can weakly exclude the target set. In the special case where only the approaching player can quit the game (Big-Match of type I), the three conditions are equivalent and coincide with Blackwell's condition. Consequently, we obtain a full characterization and prove that the game is weakly determined-every convex set is either weakly approachable or weakly excludable. In games where only the opponent can quit (Big-Match of type II), none of our conditions is both sufficient and necessary for weak approachability. We provide a continuous time sufficient condition using techniques coming from differential games, and show its usefulness in practice, in the spirit of Vieille's seminal work for weak approachability.Finally, we study uniform approachability where the strategy should not depend on the horizon and demonstrate that, in contrast with classical Blackwell approacha-bility for convex sets, weak approachability does not imply uniform approachability.

Associating distinct groups of objects (clusters) with contiguous regions of high probability density (high-density clusters), is central to many statistical and machine learning approaches to the classification of unlabelled data. We propose a novel hyperplane classifier for clustering and semi-supervised classification which is motivated by this objective. The proposed minimum density hyperplane minimises the integral of the empirical probability density function along it, thereby avoiding intersection with high density clusters. We show that the minimum density and the maximum margin hyperplanes are asymptotically equivalent, thus linking this approach to maximum margin clustering and semi-supervised support vector classifiers. We propose a projection pursuit formulation of the associated optimisation problem which allows us to find minimum density hyperplanes efficiently in practice, and evaluate its performance on a range of benchmark data sets. The proposed approach is found to be very competitive with state of the art methods for clustering and semi-supervised classification.

Correlation matrices play a key role in many multivariate methods (e.g., graphical model estimation and factor analysis). The current state-of-the-art in estimating large correlation matrices focuses on the use of Pearson's sample correlation matrix. Although Pearson's sample correlation matrix enjoys various good properties under Gaussian models, it is not an effective estimator when facing heavy-tailed distributions. As a robust alternative, Han and Liu [J. Am. Stat. Assoc. 109 (2015) 275-287] advocated the use of a transformed version of the Kendall's tau sample correlation matrix in estimating high dimensional latent generalized correlation matrix under the transelliptical distribution family (or elliptical copula). The transelliptical family assumes that after unspecified marginal monotone transformations, the data follow an elliptical distribution. In this paper, we study the theoretical properties of the Kendall's tau sample correlation matrix and its transformed version proposed in Han and Liu [J. Am. Stat. Assoc. 109 (2015) 275-287] for estimating the population Kendall's tau correlation matrix and the latent Pearson's correlation matrix under both spectral and restricted spectral norms. With regard to the spectral norm, we highlight the role of "effective rank" in quantifying the rate of convergence. With regard to the restricted spectral norm, we for the first time present a "sign sub-Gaussian condition" which is sufficient to guarantee that the rank-based correlation matrix estimator attains the fast rate of convergence. In both cases, we do not need any moment condition.

We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a probabilistic coarse-to-fine map. This corresponds to a directed probabilistic model where the coarse variables play the role of latent generators of the fine scale (all-atom) data. From an information-theoretic perspective, the framework proposed provides an improvement upon the relative entropy method and is capable of quantifying the uncertainty due to the information loss that unavoidably takes place during the CG process. Furthermore, it can be readily extended to a fully Bayesian model where various sources of uncertainties are reflected in the posterior of the model parameters. The latter can be used to produce not only point estimates of fine-scale reconstructions or macroscopic observables, but more importantly, predictive posterior distributions on these quantities. Predictive posterior distributions reflect the confidence of the model as a function of the amount of data and the level of coarse-graining. The issues of model complexity and model selection are seamlessly addressed by employing a hierarchical prior that favors the discovery of sparse solutions, revealing the most prominent features in the coarse-grained model. A flexible and parallelizable Monte Carlo - Expectation-Maximization (MC-EM) scheme is proposed for carrying out inference and learning tasks. A comparative assessment of the proposed methodology is presented for a lattice spin system and the SPC/E water model.

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors $W$ and $H$, for the given input matrix $A$, such that $A \approx W H$. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel algorithms to solve the problem for big data sets. The main contribution of this work is a new, high-performance parallel computational framework for a broad class of NMF algorithms that iteratively solves alternating non-negative least squares (NLS) subproblems for $W$ and $H$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). The framework is flexible and able to leverage a variety of NMF and NLS algorithms, including Multiplicative Update, Hierarchical Alternating Least Squares, and Block Principal Pivoting. Our implementation allows us to benchmark and compare different algorithms on massive dense and sparse data matrices of size that spans for few hundreds of millions to billions. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements. The code and the datasets used for conducting the experiments are available online.

We present a structural clustering algorithm for large-scale datasets of small labeled graphs, utilizing a frequent subgraph sampling strategy. A set of representatives provides an intuitive description of each cluster, supports the clustering process, and helps to interpret the clustering results. The projection-based nature of the clustering approach allows us to bypass dimensionality and feature extraction problems that arise in the context of graph datasets reduced to pairwise distances or feature vectors. While achieving high quality and (human) interpretable clusterings, the runtime of the algorithm only grows linearly with the number of graphs. Furthermore, the approach is easy to parallelize and therefore suitable for very large datasets. Our extensive experimental evaluation on synthetic and real world datasets demonstrates the superiority of our approach over existing structural and subspace clustering algorithms, both, from a runtime and quality point of view.

A novel variational autoencoder is developed to model images, as well as associated labels or captions. The Deep Generative Deconvolutional Network (DGDN) is used as a decoder of the latent image features, and a deep Convolutional Neural Network (CNN) is used as an image encoder; the CNN is used to approximate a distribution for the latent DGDN features/code. The latent code is also linked to generative models for labels (Bayesian support vector machine) or captions (recurrent neural network). When predicting a label/caption for a new image at test, averaging is performed across the distribution of latent codes; this is computationally efficient as a consequence of the learned CNN-based encoder. Since the framework is capable of modeling the image in the presence/absence of associated labels/captions, a new semi-supervised setting is manifested for CNN learning with images; the framework even allows unsupervised CNN learning, based on images alone.

We address an anomaly detection setting in which training sequences are unavailable and anomalies are scored independently of temporal ordering. Current algorithms in anomaly detection are based on the classical density estimation approach of learning high-dimensional models and finding low-probability events. These algorithms are sensitive to the order in which anomalies appear and require either training data or early context assumptions that do not hold for longer, more complex videos. By defining anomalies as examples that can be distinguished from other examples in the same video, our definition inspires a shift in approaches from classical density estimation to simple discriminative learning. Our contributions include a novel framework for anomaly detection that is (1) independent of temporal ordering of anomalies, and (2) unsupervised, requiring no separate training sequences. We show that our algorithm can achieve state-of-the-art results even when we adjust the setting by removing training sequences from standard datasets.

In recent years, sparse principal component analysis has emerged as an extremely popular dimension reduction technique for high-dimensional data. The theoretical challenge, in the simplest case, is to estimate the leading eigenvector of a population covariance matrix under the assumption that this eigenvector is sparse. An impressive range of estimators have been proposed; some of these are fast to compute, while others are known to achieve the minimax optimal rate over certain Gaussian or sub-Gaussian classes. In this paper, we show that, under a widely-believed assumption from computational complexity theory, there is a fundamental trade-off between statistical and computational performance in this problem. More precisely, working with new, larger classes satisfying a restricted covariance concentration condition, we show that there is an effective sample size regime in which no randomised polynomial time algorithm can achieve the minimax optimal rate. We also study the theoretical performance of a (polynomial time) variant of the well-known semidefinite relaxation estimator, revealing a subtle interplay between statistical and computational efficiency.