This paper demonstrates the application of Bayesian Artificial Neural Networks to Ordinary Differential Equation (ODE) inverse problems. We consider the case of estimating an unknown chaotic dynamical system transition model from state observation data. Inverse problems for chaotic systems are numerically challenging as small perturbations in model parameters can cause very large changes in estimated forward trajectories. Bayesian Artificial Neural Networks can be used to simultaneously fit a model and estimate model parameter uncertainty. Knowledge of model parameter uncertainty can then be incorporated into the probabilistic estimates of the inferred system's forward time evolution. The method is demonstrated numerically by analysing the chaotic Sprott B system. Observations of the system are used to estimate a posterior predictive distribution over the weights of a parametric polynomial kernel Artificial Neural Network. It is shown that the proposed method is able to perform accurate time predictions. Further, the proposed method is able to correctly account for model uncertainties and provide useful prediction uncertainty bounds.

Gaussian processes (GPs) are distributions over functions, which provide a Bayesian nonparametric approach to regression and classification. In spite of their success, GPs have limited use in some applications, for example, in some cases a symmetric distribution with respect to its mean is an unreasonable model. This implies, for instance, that the mean and the median coincide, while the mean and median in an asymmetric (skewed) distribution can be different numbers. In this paper, we propose Skew-Gaussian processes (SkewGPs) as a non-parametric prior over functions. A SkewGP extends the multivariate Unified Skew-Normal distribution over finite dimensional vectors to a stochastic processes. The SkewGP class of distributions includes GPs and, therefore, SkewGPs inherit all good properties of GPs and increase their flexibility by allowing asymmetry in the probabilistic model. By exploiting the fact that SkewGP and probit likelihood are conjugate model, we derive closed form expressions for the marginal likelihood and predictive distribution of this new nonparametric classifier. We verify empirically that the proposed SkewGP classifier provides a better performance than a GP classifier based on either Laplace's method or Expectation Propagation.

Machine learning has seen in the last 5-10 years an explosion in its growth from a research centered area of computer science and mathematics to a driving force for innovation in every aspect of our lives [1, 2, 3]. This was driven mainly by the success of deep learning and the significant investment of big technology firms in open source machine learning research [4, 5, 6]. Real life machine learning based solutions often require a number of models to work together to achieve the business goal of the product(s) [7]. Such models can be trained independently or as part of an optimised training pipeline [8, 9]. Breaking down the product into multiple models has several advantages: I) It allows for parallel model development with model designers focused on solving relatively small and well-defined problems.

Bayesian Networks (BN) are probabilistic graphical models that are widely used for uncertainty modeling, stochastic prediction and probabilistic inference. A Quantum Bayesian Network (QBN) is a quantum version of the Bayesian network that utilizes the principles of quantum mechanical systems to improve the computational performance of various analyses. In this paper, we experimentally evaluate the performance of QBN on various IBM QX hardware against Qiskit simulator and classical analysis. We consider a 4-node BN for stock prediction for our experimental evaluation. We construct a quantum circuit to represent the 4-node BN using Qiskit, and run the circuit on nine IBM quantum devices: Yorktown, Vigo, Ourense, Essex, Burlington, London, Rome, Athens and Melbourne. We will also compare the performance of each device across the four levels of optimization performed by the IBM Transpiler when mapping a given quantum circuit to a given device. We use the root mean square percentage error as the metric for performance comparison of various hardware.

This paper presents a new approach to generate samples from conditional belief functions for a restricted but non trivial subset of conditional belief functions. It assumes the factorization (decomposition) of a belief function along a bayesian network structure. It applies general conditional belief functions. The most profoundly studied measure of uncertainty is the probability. There exist methods of so-called graphoidal representation of joint probability distribution - called Bayesian networks [7] - allowing for expression of qualitative independence, causality, efficient reasoning, explanation, learning from data and sample generation.

Multiclass classification problems are most often solved by either training a single centralized classifier on all $K$ classes, or by reducing the problem to multiple binary classification tasks. This paper explores the uncharted region between these two extremes: How can we solve the $K$-class classification problem by combining the predictions of smaller classifiers, each trained on an arbitrary number of classes $R \in \{2, 3, \ldots, K\}$? We present a mathematical framework for answering this question, and derive bounds on the number of classifiers (in terms of $K$ and $R$) needed to accurately predict the true class of an unlabeled sample under both adversarial and stochastic assumptions. By exploiting a connection to the classical set cover problem in combinatorics, we produce an efficient, near-optimal scheme (with respect to the number of classifiers) for designing such configurations of classifiers, which recovers the well-known one-vs.-one strategy as a special case when $R=2$. Experiments with the MNIST and CIFAR-10 datasets show that our scheme is capable of matching the performance of centralized classifiers in practice. The results suggest that our approach offers a promising direction for solving the problem of data heterogeneity which plagues current federated learning methods.

Estimation of the number of components (or order) of a finite mixture model is a long standing and challenging problem in statistics. We propose the Group-Sort-Fuse (GSF) procedure---a new penalized likelihood approach for simultaneous estimation of the order and mixing measure in multidimensional finite mixture models. Unlike methods which fit and compare mixtures with varying orders using criteria involving model complexity, our approach directly penalizes a continuous function of the model parameters. More specifically, given a conservative upper bound on the order, the GSF groups and sorts mixture component parameters to fuse those which are redundant. For a wide range of finite mixture models, we show that the GSF is consistent in estimating the true mixture order and achieves the $n^{-1/2}$ convergence rate for parameter estimation up to polylogarithmic factors. The GSF is implemented for several univariate and multivariate mixture models in the R package GroupSortFuse. Its finite sample performance is supported by a thorough simulation study, and its application is illustrated on two real data examples.

In order to keep trace of information, the brain has to resolve the problem where information is and how to index new ones. We propose that the neural mechanism used by the prefrontal cortex (PFC) to detect structure in temporal sequences, based on the temporal order of incoming information, has served as second purpose to the spatial ordering and indexing of brain networks. We call this process, apparent to the manipulation of neural 'addresses' to organize the brain's own network, the 'digitalization' of information. Such tool is important for information processing and preservation, but also for memory formation and retrieval.

High dimensional integration is essential to many areas of science, ranging from particle physics to Bayesian inference. Approximating these integrals is hard, due in part to the difficulty of locating and sampling from regions of the integration domain that make significant contributions to the overall integral. Here, we present a new algorithm called Tree Quadrature (TQ) that separates this sampling problem from the problem of using those samples to produce an approximation of the integral. TQ places no qualifications on how the samples provided to it are obtained, allowing it to use state-of-the-art sampling algorithms that are largely ignored by existing integration algorithms. Given a set of samples, TQ constructs a surrogate model of the integrand in the form of a regression tree, with a structure optimised to maximise integral precision. The tree divides the integration domain into smaller containers, which are individually integrated and aggregated to estimate the overall integral. Any method can be used to integrate each individual container, so existing integration methods, like Bayesian Monte Carlo, can be combined with TQ to boost their performance. On a set of benchmark problems, we show that TQ provides accurate approximations to integrals in up to 15 dimensions; and in dimensions 4 and above, it outperforms simple Monte Carlo and the popular Vegas method (Lepage, 1978).

Gaussian processes~(Kriging) are interpolating data-driven models that are frequently applied in various disciplines. Often, Gaussian processes are trained on datasets and are subsequently embedded as surrogate models in optimization problems. These optimization problems are nonconvex and global optimization is desired. However, previous literature observed computational burdens limiting deterministic global optimization to Gaussian processes trained on few data points. We propose a reduced-space formulation for deterministic global optimization with trained Gaussian processes embedded. For optimization, the branch-and-bound solver branches only on the degrees of freedom and McCormick relaxations are propagated through explicit Gaussian process models. The approach also leads to significantly smaller and computationally cheaper subproblems for lower and upper bounding. To further accelerate convergence, we derive envelopes of common covariance functions for GPs and tight relaxations of acquisition functions used in Bayesian optimization including expected improvement, probability of improvement, and lower confidence bound. In total, we reduce computational time by orders of magnitude compared to state-of-the-art methods, thus overcoming previous computational burdens. We demonstrate the performance and scaling of the proposed method and apply it to Bayesian optimization with global optimization of the acquisition function and chance-constrained programming. The Gaussian process models, acquisition functions, and training scripts are available open-source within the "MeLOn - Machine Learning Models for Optimization" toolbox~(https://git.rwth-aachen.de/avt.svt/public/MeLOn).