We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to the currently used generalised leapfrog symplectic integrator, which relies on solving multiple fixed point iterations to convergence. Via this approach, we are able to reduce the number of higher-order derivative calculations per leapfrog step. We explore the implications of this integrator and demonstrate its efficacy in reducing the computational burden of RMHMC. Our code is provided in a new open-source Python package, hamiltorch.

Surrogate models such as Gaussian processes (GP) have been proposed to accelerate approximate Bayesian computation (ABC) when the statistical model of interest is expensive-to-simulate. In one such promising framework the discrepancy between simulated and observed data is modelled with a GP. So far principled strategies have been proposed only for sequential selection of the simulation locations. To address this limitation, we develop Bayesian optimal design strategies to parallellise the expensive simulations. Current surrogate-based ABC methods also produce only a point estimate of the ABC posterior while there can be substantial additional uncertainty due to the limited budget of simulations. We also address the problem of quantifying the uncertainty of ABC posterior and discuss the connections between our resulting framework called Bayesian ABC, Bayesian quadrature (BQ) and Bayesian optimisation (BO). Experiments with several toy and real-world simulation models demonstrate advantages of the proposed techniques.

We study the problem of recovering clusters from binary user feedback. Items are grouped into initially unknown non-overlapping clusters. To recover these clusters, the learner sequentially presents to users a finite list of items together with a question with a binary answer selected from a fixed finite set. For each of these items, the user provides a random answer whose expectation is determined by the item cluster and the question and by an item-specific parameter characterizing the hardness of classifying the item. The objective is to devise an algorithm with a minimal cluster recovery error rate. We derive problem-specific information-theoretical lower bounds on the error rate satisfied by any algorithm, for both uniform and adaptive (list, question) selection strategies. For uniform selection, we present a simple algorithm built upon K-means whose performance almost matches the fundamental limits. For adaptive selection, we develop an adaptive algorithm that is inspired by the derivation of the information-theoretical error lower bounds, and in turn allocates the budget in an efficient way. The algorithm learns to select items hard to cluster and relevant questions more often. We compare numerically the performance of our algorithms with or without adaptive selection strategy, and illustrate the gain achieved by being adaptive. Our inference problems are motivated by the problem of solving large-scale labeling tasks with minimal effort put on the users. For example, in some of the recent CAPTCHA systems, users clicks (binary answers) can be used to efficiently label images, by optimally finding the best questions to present.

Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian Process literature, kernels have usually been either ad hoc designed, selected from a predefined set, or searched for in a space of compositions of kernels which have been defined a priori. In this paper, we propose a Genetic-Programming algorithm that represents a kernel function as a tree of elementary mathematical expressions. By means of this representation, a wider set of kernels can be modeled, where potentially better solutions can be found, although new challenges also arise. The proposed algorithm is able to overcome these difficulties and find kernels that accurately model the characteristics of the data. This method has been tested in several real-world time-series extrapolation problems, improving the state-of-the-art results while reducing the complexity of the kernels.

In the Classical interpretation Probability is the measure of the likelihood that an event will occur in a Random Experiment; In other words, the frequency of the event occurring. Probability is quantified as a number between 0 and 1, where, loosely speaking, 0 indicates impossibility and 1 indicates certainty. The higher the probability of an event, the more likely it is that the event will occur. A simple example is the tossing of a fair (unbiased) coin. Since the coin is fair, the two outcomes ("heads" and "tails") are both equally probable; the probability of "heads" equals the probability of "tails"; and since no other outcomes are possible, the probability of either "heads" or "tails" is 1/2 (which could also be written as 0.5 or 50%).

We propose multivariate nonstationary Gaussian processes for jointly modeling multiple clinical variables, where the key parameters, length-scales, standard deviations and the correlations between the observed output, are all time dependent. We perform posterior inference via Hamiltonian Monte Carlo (HMC). We also provide methods for obtaining computationally efficient gradient-based maximum a posteriori (MAP) estimates. We validate our model on synthetic data as well as on electronic health records (EHR) data from Kaiser Permanente (KP). We show that the proposed model provides better predictive performance over a stationary model as well as uncovers interesting latent correlation processes across vitals which are potentially predictive of patient risk.

We derive a general decomposition of the model evidence that allows an efficient divide-and-conquer calculation on every worker without accessing the data in one single place. The combination of the results requires only minimal communication between the workers and no exchange of data. We illustrate the applicability of our method on several challenging applications and show that the computation time is reduced by several orders of magnitude, incurring only a negligible bias. We show how to apply our approach in a reversible jump setting where an MCMC sampler moves between different models. The rest of our work is structured as follows: we discuss related work in Section 2 before presenting our approach on distributed Bayesian model choice in Section 3. In Section 4 we demonstrate the applicability of our approach on several data sets and models before discussing possible extensions in Section 5.

Probabilistic models can define relationships between variables and be used to calculate probabilities. For example, fully conditional models may require an enormous amount of data to cover all possible cases, and probabilities may be intractable to calculate in practice. Simplifying assumptions such as the conditional independence of all random variables can be effective, such as in the case of Naive Bayes, although it is a drastically simplifying step. An alternative is to develop a model that preserves known conditional dependence between random variables and conditional independence in all other cases. Bayesian networks are a probabilistic graphical model that explicitly capture the known conditional dependence with directed edges in a graph model.

Viral sequence classification is an important task in pathogen detection, epidemiological surveys and evolutionary studies. Statistical learning methods are widely used to classify and identify viral sequences in samples from environments. These methods face several challenges associated with the nature and properties of viral genomes such as recombination, mutation rate and diversity. Also, new generations of sequencing technologies rise other difficulties by generating massive amounts of fragmented sequences. While linear classifiers are often used to classify viruses, there is a lack of exploration of the accuracy space of existing models in the context of alignment free approaches. In this study, we present an exhaustive assessment procedure exploring the power of linear classifiers in genotyping and subtyping partial and complete genomes. It is applied to the Hepatitis C viruses (HCV). Several variables are considered in this investigation such as classifier types (generative and discriminative) and their hyper-parameters (smoothing value and penalty function), the classification task (genotyping and subtyping), the length of the tested sequences (partial and complete) and the length of k-mer words. Overall, several classifiers perform well given a set of precise combination of the experimental variables mentioned above. Finally, we provide the procedure and benchmark data to allow for more robust assessment of classification from virus genomes.

Existing multi-view learning methods based on kernel function either require the user to select and tune a single predefined kernel or have to compute and store many Gram matrices to perform multiple kernel learning. Apart from the huge consumption of manpower, computation and memory resources, most of these models seek point estimation of their parameters, and are prone to overfit-ting to small training data. This paper presents an adaptive kernel nonlinear max-margin multi-view learning model under the Bayesian framework. Specifically, we regularize the posterior of an efficient multi-view latent variable model by explicitly mapping the latent representations extracted from multiple data views to a random Fourier feature space where max-margin classification constraints are imposed. Assuming these random features are drawn from Dirichlet process Gaussian mixtures, we can adaptively learn shift-invariant kernels from data according to Bochners theorem. For inference, we employ the data augmentation idea for hinge loss, and design an efficient gradient-based MCMC sampler in the augmented space. Having no need to compute the Gram matrix, our algorithm scales linearly with the size of training set. Extensive experiments on real-world datasets demonstrate that our method has superior performance.