In recent years, large-scale Bayesian learning draws a great deal of attention. However, in big-data era, the amount of data we face is growing much faster than our ability to deal with it. Fortunately, it is observed that large-scale datasets usually own rich internal structure and is somewhat redundant. In this paper, we attempt to simplify the Bayesian posterior via exploiting this structure. Specifically, we restrict our interest to the so-called well-clustered datasets and construct an \emph{approximate posterior} according to the clustering information. Fortunately, the clustering structure can be efficiently obtained via a particular clustering algorithm. When constructing the approximate posterior, the data points in the same cluster are all replaced by the centroid of the cluster. As a result, the posterior can be significantly simplified. Theoretically, we show that under certain conditions the approximate posterior we construct is close (measured by KL divergence) to the exact posterior. Furthermore, thorough experiments are conducted to validate the fact that the constructed posterior is a good approximation to the true posterior and much easier to sample from.

Mixture model is a probabilistic model that is able to infer subpopulations from total population without additional information (within the paradigm of unsupervised learning). Mixture models closely correspond to the mixture distributions of the probabilistic distributions of observations. In general, in the structure of mixture model, we make assumptions over latent variables that evaluate membership of each observation. Given the dataset, we can assume that it is a sample and then mixture model can estimate the parameters of the probability distributions that created points of this dataset, as well as assign each observation vector of probabilities indicating the original distribution. Comparing different mixture models can be considered a generalization of the problem of comparing different distributions. From the viewpoint of optimal transport theory, the Wasserstein distance is an important method for measuring similarities and the maintenance of the explainable nature of mixture models.

Hierarchical models with gamma hyperpriors provide a flexible, sparse-promoting framework to bridge $L^1$ and $L^2$ regularizations in Bayesian formulations to inverse problems. Despite the Bayesian motivation for these models, existing methodologies are limited to \textit{maximum a posteriori} estimation. The potential to perform uncertainty quantification has not yet been realized. This paper introduces a variational iterative alternating scheme for hierarchical inverse problems with gamma hyperpriors. The proposed variational inference approach yields accurate reconstruction, provides meaningful uncertainty quantification, and is easy to implement. In addition, it lends itself naturally to conduct model selection for the choice of hyperparameters. We illustrate the performance of our methodology in several computed examples, including a deconvolution problem and sparse identification of dynamical systems from time series data.

Inspired by the foundational works by Spivak and Fong and Cruttwell et al., we introduce a categorical framework to formalize Bayesian inference and learning. The two key ideas at play here are the notions of Bayesian inversions and the functor GL as constructed by Cruttwell et al.. In this context, we find that Bayesian learning is the simplest case of the learning paradigm. We then obtain categorical formulations of batch and sequential Bayes updates while also verifying that the two coincide in a specific example.

All three of us are authors of the PyMC Probabilistic Programming Language, a production grade package used at leading organizations around the world. Ravin learned the power of Bayes Theorem at SpaceX when improving the supply chains of the world's most advanced rockets. He's now an advocate of applied Bayesian methods and has since authored a textbook about Bayes Theorem and writes about appllied data science on his blog. Thomas is enthusiastic about teaching statistics using code and examples, rather than arduous math. Through his many talks and blog posts, he has shown that there is a different way to teach statistics.

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling. In this work we conduct a systematic comparison and theoretical analysis of different approaches to learning conditional probability distributions with score-based diffusion models. In particular, we prove results which provide a theoretical justification for one of the most successful estimators of the conditional score. Moreover, we introduce a multi-speed diffusion framework, which leads to a new estimator for the conditional score, performing on par with previous state-of-the-art approaches. Our theoretical and experimental findings are accompanied by an open source library MSDiff which allows for application and further research of multi-speed diffusion models.

The world is structured in countless ways. It may be prudent to enforce corresponding structural properties to a learning algorithm's solution, such as incorporating prior beliefs, natural constraints, or causal structures. Doing so may translate to faster, more accurate, and more flexible models, which may directly relate to real-world impact. In this dissertation, we consider two different research areas that concern structuring a learning algorithm's solution: when the structure is known and when it has to be discovered.

Inconsistency in prediction problems occurs when instances that relate in a certain way on condition attributes, do not follow the same relation on the decision attribute. For example, in ordinal classification with monotonicity constraints, it occurs when an instance dominating another instance on condition attributes has been assigned to a worse decision class. It typically appears as a result of perturbation in data caused by incomplete knowledge (missing attributes) or by random effects that occur during data generation (instability in the assessment of decision attribute values). Inconsistencies with respect to a crisp preorder relation (expressing either dominance or indiscernibility between instances) can be handled using symbolic approaches like rough set theory and by using statistical/machine learning approaches that involve optimization methods. Fuzzy rough sets can also be seen as a symbolic approach to inconsistency handling with respect to a fuzzy relation. In this article, we introduce a new machine learning method for inconsistency handling with respect to a fuzzy preorder relation. The novel approach is motivated by the existing machine learning approach used for crisp relations. We provide statistical foundations for it and develop optimization procedures that can be used to eliminate inconsistencies. The article also proves important properties and contains didactic examples of those procedures.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental data can involve extracted charge carrier mobility or measured current. Estimating these parameters help us draw inferences about device performance. Fitting a TFT model for a given experimental data using the model parameters relies on manual fine tuning of multiple parameters by human experts. Several of these parameters may have confounding effects on the experimental data, making their individual effect extraction a non-intuitive process during manual tuning. To avoid this convoluted process, we propose a new method for automating the model parameter extraction process resulting in an accurate model fitting. In this work, model choice based approximate Bayesian computation (aBc) is used for generating the posterior distribution of the estimated parameters using observed mobility at various gate voltage values. Furthermore, it is shown that the extracted parameters can be accurately predicted from the mobility curves using gradient boosted trees. This work also provides a comparative analysis of the proposed framework with fine-tuned neural networks wherein the proposed framework is shown to perform better.