This paper exploits extended Bayesian networks for uncertainty reasoning on Petri nets, where firing of transitions is probabilistic. In particular, Bayesian networks are used as symbolic representations of probability distributions, modelling the observer's knowledge about the tokens in the net. The observer can study the net by monitoring successful and failed steps. An update mechanism for Bayesian nets is enabled by relaxing some of their restrictions, leading to modular Bayesian nets that can conveniently be represented and modified. As for every symbolic representation, the question is how to derive information - in this case marginal probability distributions - from a modular Bayesian net. We show how to do this by generalizing the known method of variable elimination. The approach is illustrated by examples about the spreading of diseases (SIR model) and information diffusion in social networks. We have implemented our approach and provide runtime results.

Online Social Networks (OSNs) provide a platform for users to share their thoughts and opinions with their community of friends or to the general public. In order to keep the platform safe for all users, as well as to keep it compliant with local laws, OSNs typically create a set of community standards organized into policy groups, and use Machine Learning (ML) models to identify and remove content that violates any of the policies. However, out of the billions of content that is uploaded on a daily basis only a small fraction is so unambiguously violating that it can be removed by the automated models. Prevalence estimation is the task of estimating the fraction of violating content in the residual items by sending a small sample of these items to human labelers to get ground truth labels. This task is exceedingly hard because even though we can easily get the ML scores or features for all of the billions of items we can only get ground truth labels on a few thousands of these items due to practical considerations. Indeed the prevalence can be so low that even after a judicious choice of items to be labeled there can be many days in which not even a single item is labeled violating. A pragmatic choice for such low prevalence, $10^{-4}$ to $10^{-5}$, regimes is to report the upper bound, or $97.5\%$ confidence interval, prevalence (UBP) that takes the uncertainties of the sampling and labeling processes into account and gives a smoothed estimate. In this work we present two novel techniques Bucketed-Beta-Binomial and a Bucketed-Gaussian Process for this UBP task and demonstrate on real and simulated data that it has much better coverage than the commonly used bootstrapping technique.

As I pledged in my last article that I would be writing about algorithms in next article. Algorithms are the core to building machine learning models and here I am providing details about most of the algorithms used for supervised learning to provide you with intuitive understanding for where to use it and where not to. By the end of this article, you will be adept at algorithms from intuitive level of understanding. So, folks here we go. Naive Bayes are the algorithms used for classification based on Bayes theorem and it is the foundational algorithm to know at most for machine learning.

The emergence of Big Data raises the question of how to model economic relations when there is a large number of possible explanatory variables. We revisit the issue by comparing the possibility of using dense or sparse models in a Bayesian approach, allowing for variable selection and shrinkage. More specifically, we discuss the results reached by Giannone, Lenza, and Primiceri (2020) through a "Spike-and-Slab" prior, which suggest an "illusion of sparsity" in economic data, as no clear patterns of sparsity could be detected. We make a further revision of the posterior distributions of the model, and propose three experiments to evaluate the robustness of the adopted prior distribution. We find that the pattern of sparsity is sensitive to the prior distribution of the regression coefficients, and present evidence that the model indirectly induces variable selection and shrinkage, which suggests that the "illusion of sparsity" could be, itself, an illusion. Code is available on github.com/bfava/IllusionOfIllusion.

We develop in this paper a framework of empirical gain maximization (EGM) to address the robust regression problem where heavy-tailed noise or outliers may present in the response variable. The idea of EGM is to approximate the density function of the noise distribution instead of approximating the truth function directly as usual. Unlike the classical maximum likelihood estimation that encourages equal importance of all observations and could be problematic in the presence of abnormal observations, EGM schemes can be interpreted from a minimum distance estimation viewpoint and allow the ignorance of those observations. Furthermore, it is shown that several well-known robust nonconvex regression paradigms, such as Tukey regression and truncated least square regression, can be reformulated into this new framework. We then develop a learning theory for EGM, by means of which a unified analysis can be conducted for these well-established but not fully-understood regression approaches. Resulting from the new framework, a novel interpretation of existing bounded nonconvex loss functions can be concluded. Within this new framework, the two seemingly irrelevant terminologies, the well-known Tukey's biweight loss for robust regression and the triweight kernel for nonparametric smoothing, are closely related. More precisely, it is shown that the Tukey's biweight loss can be derived from the triweight kernel. Similarly, other frequently employed bounded nonconvex loss functions in machine learning such as the truncated square loss, the Geman-McClure loss, and the exponential squared loss can also be reformulated from certain smoothing kernels in statistics. In addition, the new framework enables us to devise new bounded nonconvex loss functions for robust learning.

ParaMonte (standing for Parallel Monte Carlo) is a serial and MPI/Coarray-parallelized library of Monte Carlo routines for sampling mathematical objective functions of arbitrary-dimensions, in particular, the posterior distributions of Bayesian models in data science, Machine Learning, and scientific inference. The ParaMonte library has been developed with the design goal of unifying the **automation**, **accessibility**, **high-performance**, **scalability**, and **reproducibility** of Monte Carlo simulations. The current implementation of the library includes **ParaDRAM**, a **Para**llel **D**elyaed-**R**ejection **A**daptive **M**etropolis Markov Chain Monte Carlo sampler, accessible from a wide range of programming languages including C, C++, Fortran, with a unified Application Programming Interface and simulation environment across all supported programming languages. The ParaMonte library is MIT-licensed and is permanently located and maintained at [https://github.com/cdslaborg/paramonte](https://github.com/cdslaborg/paramonte).

In the present work, we consider variable selection and shrinkage for the Gaussian dynamic linear regression within a Bayesian framework. In particular, we propose a novel method that allows for time-varying sparsity, based on an extension of spike-and-slab priors for dynamic models. This is done by assigning appropriate Markov switching priors for the time-varying coefficients' variances, extending the previous work of Ishwaran and Rao (2005). Furthermore, we investigate different priors, including the common Inverted gamma prior for the process variances, and other mixture prior distributions such as Gamma priors for both the spike and the slab, which leads to a mixture of Normal-Gammas priors (Griffin ad Brown, 2010) for the coefficients. In this sense, our prior can be view as a dynamic variable selection prior which induces either smoothness (through the slab) or shrinkage towards zero (through the spike) at each time point. The MCMC method used for posterior computation uses Markov latent variables that can assume binary regimes at each time point to generate the coefficients' variances. In that way, our model is a dynamic mixture model, thus, we could use the algorithm of Gerlach et al (2000) to generate the latent processes without conditioning on the states. Finally, our approach is exemplified through simulated examples and a real data application.

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. In particular, generative deep learning models have been used for molecular representation, discovery and design with applications ranging from drug discovery to solar cell development. In this work, we assess the predictive capabilities of a molecular generative model developed based on variational inference and graph theory. The encoder network is based on the scattering transform, which allows for a better generalization of the model in the presence of limited training data. The scattering layers incorporate adaptive spectral filters which are tailored to the training dataset based on the molecular graphs' spectra. The decoding network is a one-shot graph generative model that conditions atom types on molecular topology. We present a quantitative assessment of the latent space in terms of its predictive ability for organic molecules in the QM9 dataset. To account for the limited size training data set, a Bayesian formalism is considered that allows us capturing the uncertainties in the predicted properties.

In this article, we present a novel approach to multivariate probabilistic forecasting. Our approach is based on an extension of single-output quantile regression (QR) to multivariate-targets, called quantile surfaces (QS). QS uses a simple yet compelling idea of indexing observations of a probabilistic forecast through direction and vector length to estimate a central tendency. We extend the single-output QR technique to multivariate probabilistic targets. QS efficiently models dependencies in multivariate target variables and represents probability distributions through discrete quantile levels. Therefore, we present a novel two-stage process. In the first stage, we perform a deterministic point forecast (i.e., central tendency estimation). Subsequently, we model the prediction uncertainty using QS involving neural networks called quantile surface regression neural networks (QSNN). Additionally, we introduce new methods for efficient and straightforward evaluation of the reliability and sharpness of the issued probabilistic QS predictions. We complement this by the directional extension of the Continuous Ranked Probability Score (CRPS) score. Finally, we evaluate our novel approach on synthetic data and two currently researched real-world challenges in two different domains: First, probabilistic forecasting for renewable energy power generation, second, short-term cyclists trajectory forecasting for autonomously driving vehicles. Especially for the latter, our empirical results show that even a simple one-layer QSNN outperforms traditional parametric multivariate forecasting techniques, thus improving the state-of-the-art performance.

In the Machine Learning terminology, the process of Classification can be defined as a supervised learning algorithm that aims at categorizing a set of data into different classes. In other words, if we think of a dataset as a set of data instances, and each data instance as a set of features, then Classification is the process of predicting the particular class that that individual data instance might belong to, based on its features. Unlike regression where the target variable (i.e., the predicted value) belongs to a continuous distribution, in case of classification, the target variable is discrete. It can only be one of the various target classes in a given problem. For example, let's say you are working on a cat-dog-classifier model that predicts whether the animal in a given image is a cat or a dog.