While deep learning has achieved remarkable success, there is no clear explanation about why it works so well. In order to discuss this question quantitatively, we need a mathematical framework that explains what learning is in the first place. After several considerations, we succeeded in constructing a mathematical framework that can provide a unified understanding of all types of learning, including deep learning and learning in the brain. We call it learning principle, and it follows that all learning is equivalent to estimating the probability of input data. We not only derived this principle, but also mentioned its application to actual machine learning models. For example, we found that conventional supervised learning is equivalent to estimating conditional probabilities, and succeeded in making supervised learning more effective and generalized. We also proposed a new method of defining the values of estimated probability using differentiation, and showed that unsupervised learning can be performed on arbitrary dataset without any prior knowledge. Namely, this method is a general-purpose machine learning in the true sense. Moreover, we succeeded in describing the learning mechanism in the brain by considering the time evolution of a fully or partially connected model and applying this new method. The learning principle provides solutions to many unsolved problems in deep learning and cognitive neuroscience.

This study employs Bayesian methodologies to explore the influence of player or positional factors in predicting the probability of a shot resulting in a goal, measured by the expected goals (xG) metric. Utilising publicly available data from StatsBomb, Bayesian hierarchical logistic regressions are constructed, analysing approximately 10,000 shots from the English Premier League to ascertain whether positional or player-level effects impact xG. The findings reveal positional effects in a basic model that includes only distance to goal and shot angle as predictors, highlighting that strikers and attacking midfielders exhibit a higher likelihood of scoring. However, these effects diminish when more informative predictors are introduced. Nevertheless, even with additional predictors, player-level effects persist, indicating that certain players possess notable positive or negative xG adjustments, influencing their likelihood of scoring a given chance. The study extends its analysis to data from Spain's La Liga and Germany's Bundesliga, yielding comparable results. Additionally, the paper assesses the impact of prior distribution choices on outcomes, concluding that the priors employed in the models provide sound results but could be refined to enhance sampling efficiency for constructing more complex and extensive models feasibly.

Machine learning models offer the potential to understand diverse datasets in a data-driven way, powering insights into individual disease experiences and ensuring equitable healthcare. In this study, we explore Bayesian inference for characterising symptom sequences, and the associated modelling challenges. We adapted the Mallows model to account for partial rankings and right-censored data, employing custom MCMC fitting. Our evaluation, encompassing synthetic data and a primary progressive aphasia dataset, highlights the model's efficacy in revealing mean orderings and estimating ranking variance. This holds the potential to enhance clinical comprehension of symptom occurrence. However, our work encounters limitations concerning model scalability and small dataset sizes.

A popular perspective in Reinforcement learning (RL) casts the problem as probabilistic inference on a graphical model of the Markov decision process (MDP). The core object of study is the probability of each state-action pair being visited under the optimal policy. Previous approaches to approximate this quantity can be arbitrarily poor, leading to algorithms that do not implement genuine statistical inference and consequently do not perform well in challenging problems. In this work, we undertake a rigorous Bayesian treatment of the posterior probability of state-action optimality and clarify how it flows through the MDP. We first reveal that this quantity can indeed be used to generate a policy that explores efficiently, as measured by regret. Unfortunately, computing it is intractable, so we derive a new variational Bayesian approximation yielding a tractable convex optimization problem and establish that the resulting policy also explores efficiently. We call our approach VAPOR and show that it has strong connections to Thompson sampling, K-learning, and maximum entropy exploration. We conclude with some experiments demonstrating the performance advantage of a deep RL version of VAPOR.

Effective and rapid decision-making from randomized controlled trials (RCTs) requires unbiased and precise treatment effect inferences. Two strategies to address this requirement are to adjust for covariates that are highly correlated with the outcome, and to leverage historical control information via Bayes' theorem. We propose a new Bayesian prognostic covariate adjustment methodology, referred to as Bayesian PROCOVA, that combines these two strategies. Covariate adjustment in Bayesian PROCOVA is based on generative artificial intelligence (AI) algorithms that construct a digital twin generator (DTG) for RCT participants. The DTG is trained on historical control data and yields a digital twin (DT) probability distribution for each RCT participant's outcome under the control treatment. The expectation of the DT distribution, referred to as the prognostic score, defines the covariate for adjustment. Historical control information is leveraged via an additive mixture prior with two components: an informative prior probability distribution specified based on historical control data, and a weakly informative prior distribution. The mixture weight determines the extent to which posterior inferences are drawn from the informative component, versus the weakly informative component. This weight has a prior distribution as well, and so the entire additive mixture prior is completely pre-specifiable without involving any RCT information. We establish an efficient Gibbs algorithm for sampling from the posterior distribution, and derive closed-form expressions for the posterior mean and variance of the treatment effect parameter conditional on the weight, in Bayesian PROCOVA. We evaluate efficiency gains of Bayesian PROCOVA via its bias control and variance reduction compared to frequentist PROCOVA in simulation studies that encompass different discrepancies. These gains translate to smaller RCTs.

Bayesian inference can quantify uncertainty in the predictions of neural networks using posterior distributions for model parameters and network output. By looking at these posterior distributions, one can separate the origin of uncertainty into aleatoric and epistemic contributions. One goal of uncertainty quantification is to inform on prediction accuracy. Here we show that prediction accuracy depends on both epistemic and aleatoric uncertainty in an intricate fashion that cannot be understood in terms of marginalized uncertainty distributions alone. How the accuracy relates to epistemic and aleatoric uncertainties depends not only on the model architecture, but also on the properties of the dataset. We discuss the significance of these results for active learning and introduce a novel acquisition function that outperforms common uncertainty-based methods. To arrive at our results, we approximated the posteriors using deep ensembles, for fully-connected, convolutional and attention-based neural networks.

Sequential Monte Carlo methods can characterize arbitrary distributions using sequential importance sampling and resampling, but typically require very large sample sizes to mitigate weight collapse [Snyder et al., 2008, 2015]. By contrast, ensemble Kalman-type methods avoid the use of weights, but are based on affine prior-to-posterior updates that are consistent only if all distributions involved are Gaussian. In the context of smoothing, such methods include the ensemble Kalman smoother (EnKS) [Evensen and Van Leeuwen, 2000], which has inspired numerous algorithmic variations such as the ensemble smoother with multiple data assimilation [Emerick and Reynolds, 2013] and the iterative ensemble Kalman smoother (iEnKS) [Bocquet and Sakov, 2014, Evensen et al., 2019], as well as backwards smoothers such as the ensemble Rauch-Tung-Striebel smoother (EnRTSS) [Raanes, 2016]. These two classes of methods occupy opposite ends of a spectrum that ranges from an emphasis on statistical generality at one end to an emphasis on computational efficiency at the other. This trade-off complicates design decisions for smoothing problems that are at once non-Gaussian and computationally expensive.

Smoothers are algorithms for Bayesian time series re-analysis. Most operational smoothers rely either on affine Kalman-type transformations or on sequential importance sampling. These strategies occupy opposite ends of a spectrum that trades computational efficiency and scalability for statistical generality and consistency: non-Gaussianity renders affine Kalman updates inconsistent with the true Bayesian solution, while the ensemble size required for successful importance sampling can be prohibitive. This paper revisits the smoothing problem from the perspective of measure transport, which offers the prospect of consistent prior-to-posterior transformations for Bayesian inference. We leverage this capacity by proposing a general ensemble framework for transport-based smoothing. Within this framework, we derive a comprehensive set of smoothing recursions based on nonlinear transport maps and detail how they exploit the structure of state-space models in fully non-Gaussian settings. We also describe how many standard Kalman-type smoothing algorithms emerge as special cases of our framework. A companion paper (Ramgraber et al., 2023) explores the implementation of nonlinear ensemble transport smoothers in greater depth.

The concept of creating a virtual copy of a complete Cyber-Physical System opens up numerous possibilities, including real-time assessments of the physical environment and continuous learning from the system to provide reliable and precise information. This process, known as the twinning process or the development of a digital twin (DT), has been widely adopted across various industries. However, challenges arise when considering the computational demands of implementing AI models, such as those employed in digital twins, in real-time information exchange scenarios. This work proposes a digital twin framework for optimal and autonomous decision-making applied to a gas-lift process in the oil and gas industry, focusing on enhancing the robustness and adaptability of the DT. The framework combines Bayesian inference, Monte Carlo simulations, transfer learning, online learning, and novel strategies to confer cognition to the DT, including model hyperdimensional reduction and cognitive tack. Consequently, creating a framework for efficient, reliable, and trustworthy DT identification was possible. The proposed approach addresses the current gap in the literature regarding integrating various learning techniques and uncertainty management in digital twin strategies. This digital twin framework aims to provide a reliable and efficient system capable of adapting to changing environments and incorporating prediction uncertainty, thus enhancing the overall decision-making process in complex, real-world scenarios. Additionally, this work lays the foundation for further developments in digital twins for process systems engineering, potentially fostering new advancements and applications across various industrial sectors.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.