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.

Mathematical modeling with Ordinary Differential Equations (ODEs) has proven to be extremely successful in a variety of fields, including biology. However, these models are completely deterministic given a certain set of initial conditions. We convert mathematical ODE models of three benchmark biological systems to Dynamic Bayesian Networks (DBNs). The DBN model can handle model uncertainty and data uncertainty in a principled manner. They can be used for temporal data mining for noisy and missing variables. We apply Particle Filtering algorithm to infer the model variables by re-estimating the models parameters of various biological ODE models. The model parameters are automatically re-estimated using temporal evidence in the form of data streams. The results show that DBNs are capable of inferring the model variables of the ODE model with high accuracy in situations where data is missing, incomplete, sparse and irregular and true values of model parameters are not known.

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%).

Restricted Boltzmann Machine (RBM) is a generative stochastic neural network that can be applied to collaborative filtering technique used by recommendation systems. Prediction accuracy of the RBM model is usually better than that of other models for recommendation systems. However, training the RBM model involves Markov-Chain Monte Carlo (MCMC) method, which is computationally expensive. In this paper, we have successfully applied distributed parallel training using Horovod framework to improve the training time of the RBM model. Our tests show that the distributed training approach of the RBM model has a good scaling efficiency. We also show that this approach effectively reduces the training time to little over 12 minutes on 64 CPU nodes compared to 5 hours on a single CPU node. This will make RBM models more practically applicable in recommendation systems.

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.

Hierarchical Hidden Markov Jump Processes for Cancer Screening Modeling Rui Meng Soper Braden Jan Nygard, Mari Nygrad Herbert Lee UCSC LLNL Cancer Registry of Norway UCSC Abstract Hidden Markov jump processes are an attractive approach for modeling clinical disease progression data because they are explainable and capable of handling both irregularly sampled and noisy data. Most applications in this context consider time-homogeneous models due to their relative computational simplicity. However, the time homogeneous assumption is too strong to accurately model the natural history of many diseases. Moreover, the population at risk is not homogeneous either, since disease exposure and susceptibility can vary considerably. In this paper, we propose a piece-wise stationary transition matrix to explain the heterogeneity in time. We propose a hierarchical structure for the heterogeneity in population, where prior information is considered to deal with unbalanced data. Moreover, an efficient, scalable EM algorithm is proposed for inference. We demonstrate the feasibility and superiority of our model on a cervical cancer screening dataset from the Cancer Registry of Norway. Experiments show that our model outperforms state-of-the-art recurrent neural network models in terms of prediction accuracy and significantly outperforms a standard hidden Markov jump process in generating Kaplan-Meier estimators. 1 Introduction Population-based screening programs for identifying undiagnosed individuals have a long history in improving public health. Examples include screening pro-Preliminary work.

Gaussian processes are a flexible Bayesian nonparametric modelling approach that has been widely applied to learning tasks such as facial expression recognition, image reconstruction, and human pose estimation. To address the issues of poor scaling from exact inference methods, approximation methods based on sparse Gaussian processes (SGP) and variational inference (VI) are necessary for the inference on large datasets. However, one of the problems involved in SGP, especially in latent variable models, is that the distribution of the inducing inputs may fail to capture the distribution of training inputs, which may lead to inefficient inference and poor model prediction. Hence, we propose a regularization approach for sparse Gaussian processes. We also extend this regularization approach into latent sparse Gaussian processes in a unified view, considering the balance of the distribution of inducing inputs and embedding inputs. Furthermore, we justify that performing VI on a sparse latent Gaussian process with this regularization term is equivalent to performing VI on a related empirical Bayes model with a prior on the inducing inputs. Also stochastic variational inference is available for our regularization approach. Finally, the feasibility of our proposed regularization method is demonstrated on three real-world datasets.