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.

This technical report tries to fill a gap in current literature on Timescale Graphical Event Models. I propose and evaluate different heuristics to determine hyper-parameters during the structure learning algorithm and refine an existing distance measure. A comprehensive benchmark on synthetic data will be conducted allowing conclusions about the applicability of the different heuristics.

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.

The virtual International Conference on Learning Representations (ICLR) was held on 26-30 April and included eight keynote talks. Courtesy of the conference organisers you can watch the talks in full and see the question and answer sessions. The aim of Mihaela's research is to contribute to the transformation of healthcare by rigorous formulation and development of diverse new tools in machine learning and AI. Her group has worked on many problems in medicine and healthcare, including risk prognosis, modelling disease trajectories, adaptive clinical trials, individualised treatment, early-warning systems in hospitals, and personalised screening. They needed to develop a variety of machine learning methods to carry out this work.

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.

We work on dynamic problems with collected data $\{\mathsf{x}_i\}$ that distributed on a manifold $\mathcal{M}\subset\mathbb{R}^p$. Through the diffusion map, we first learn the reaction coordinates $\{\mathsf{y}_i\}\subset \mathcal{N}$ where $\mathcal{N}$ is a manifold isometrically embedded into an Euclidean space $\mathbb{R}^\ell$ for $\ell \ll p$. The reaction coordinates enable us to obtain an efficient approximation for the dynamics described by a Fokker-Planck equation on the manifold $\mathcal{N}$. By using the reaction coordinates, we propose an implementable, unconditionally stable, data-driven upwind scheme which automatically incorporates the manifold structure of $\mathcal{N}$. Furthermore, we provide a weighted $L^2$ convergence analysis of the upwind scheme to the Fokker-Planck equation. The proposed upwind scheme leads to a Markov chain with transition probability between the nearest neighbor points. We can benefit from such property to directly conduct manifold-related computations such as finding the optimal coarse-grained network and the minimal energy path that represents chemical reactions or conformational changes. To establish the Fokker-Planck equation, we need to acquire information about the equilibrium potential of the physical system on $\mathcal{N}$. Hence, we apply a Gaussian Process regression algorithm to generate equilibrium potential for a new physical system with new parameters. Combining with the proposed upwind scheme, we can calculate the trajectory of the Fokker-Planck equation on $\mathcal{N}$ based on the generated equilibrium potential. Finally, we develop an algorithm to pullback the trajectory to the original high dimensional space as a generative data for the new physical system.

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).

We introduce a theoretical model of information acquisition under resource limitations in a noisy environment. An agent must guess the truth value of a given Boolean formula $\varphi$ after performing a bounded number of noisy tests of the truth values of variables in the formula. We observe that, in general, the problem of finding an optimal testing strategy for $\phi$ is hard, but we suggest a useful heuristic. The techniques we use also give insight into two apparently unrelated, but well-studied problems: (1) \emph{rational inattention}, that is, when it is rational to ignore pertinent information (the optimal strategy may involve hardly ever testing variables that are clearly relevant to $\phi$), and (2) what makes a formula hard to learn/remember.