The prediction of financial markets is a challenging yet important task. In modern electronically-driven markets, traditional time-series econometric methods often appear incapable of capturing the true complexity of the multi-level interactions driving the price dynamics. While recent research has established the effectiveness of traditional machine learning (ML) models in financial applications, their intrinsic inability to deal with uncertainties, which is a great concern in econometrics research and real business applications, constitutes a major drawback. Bayesian methods naturally appear as a suitable remedy conveying the predictive ability of ML methods with the probabilistically-oriented practice of econometric research. By adopting a state-of-the-art second-order optimization algorithm, we train a Bayesian bilinear neural network with temporal attention, suitable for the challenging time-series task of predicting mid-price movements in ultra-high-frequency limit-order book markets. We thoroughly compare our Bayesian model with traditional ML alternatives by addressing the use of predictive distributions to analyze errors and uncertainties associated with the estimated parameters and model forecasts. Our results underline the feasibility of the Bayesian deep-learning approach and its predictive and decisional advantages in complex econometric tasks, prompting future research in this direction.

Voice synthesis has seen significant improvements in the past decade resulting in highly intelligible voices. Further investigations have resulted in models that can produce variable speech, including conditional emotional expression. The problem lies, however, in a focus on phrase-level modifications and prosodic vocal features. Using the CREMA-D dataset we have trained a GAN conditioned on emotion to generate worth lengths for a given input text. These word lengths are relative to neutral speech and can be provided, through speech synthesis markup language (SSML) to a text-to-speech (TTS) system to generate more expressive speech. Additionally, a generative model is also trained using implicit maximum likelihood estimation (IMLE) and a comparative analysis with GANs is included. We were able to achieve better performances on objective measures for neutral speech, and better time alignment for happy speech when compared to an out-of-box model. However, further investigation of subjective evaluation is required.

Computational models have become a powerful tool in the quantitative sciences to understand the behaviour of complex systems that evolve in time. However, they often contain a potentially large number of free parameters whose values cannot be obtained from theory but need to be inferred from data. This is especially the case for models in the social sciences, economics, or computational epidemiology. Yet many current parameter estimation methods are mathematically involved and computationally slow to run. In this paper we present a computationally simple and fast method to retrieve accurate probability densities for model parameters using neural differential equations. We present a pipeline comprising multi-agent models acting as forward solvers for systems of ordinary or stochastic differential equations, and a neural network to then extract parameters from the data generated by the model. The two combined create a powerful tool that can quickly estimate densities on model parameters, even for very large systems. We demonstrate the method on synthetic time series data of the SIR model of the spread of infection, and perform an in-depth analysis of the Harris-Wilson model of economic activity on a network, representing a non-convex problem. For the latter, we apply our method both to synthetic data and to data of economic activity across Greater London. We find that our method calibrates the model orders of magnitude more accurately than a previous study of the same dataset using classical techniques, while running between 195 and 390 times faster.

Estimating an individual's potential outcomes under counterfactual treatments is a challenging task for traditional causal inference and supervised learning approaches when the outcome is high-dimensional (e.g. gene expressions, impulse responses, human faces) and covariates are relatively limited. In this case, to construct one's outcome under a counterfactual treatment, it is crucial to leverage individual information contained in its observed factual outcome on top of the covariates. We propose a deep variational Bayesian framework that rigorously integrates two main sources of information for outcome construction under a counterfactual treatment: one source is the individual features embedded in the high-dimensional factual outcome; the other source is the response distribution of similar subjects (subjects with the same covariates) that factually received this treatment of interest.

Molecular dynamics aims at simulating the physical movement of atoms in order to sample the Boltzmann-Gibbs probability measure and the associated trajectories, and to compute macroscopic properties using Monte Carlo estimates [17, 1]. One of the main difficulties when performing these numerical simulations is metastability: the system tends to stay trapped in some regions of the phase space, typically in the vicinity of local maxima of the target probability measure. In this context, transitions from one metastable state to another one are of particular interest in complex systems, as they characterize for example crystallisation or enzymatic reactions. These reactions happen on a long time scale compared to the molecular timescale, so that the simulation of realistic rare events is computationally difficult. On the one hand, many efforts have been devoted to the development of rare events sampling methods in molecular dynamics. The goal of these methods is to characterize transition paths and to compute associated transition rates and mean transition times; see for instance [21] for a review. The most notable methods can be classified in two groups: (i) importance sampling techniques, where the dynamics is biased (by modifying the potential for instance) to reduce the variance of Monte Carlo estimators when computing expectations, see for instance [16, 8] for more details, and also [31, Section 6.2]. It is possible to use adaptive importance sampling strategies to choose the importance function, see [30, Chapter 5]. Another viewpoint is offered by the framework of stochastic control, as in [21] where the modification in the drift of the dynamics is determined by the solution of an optimal control problem.

Noisy-OR Bayesian Networks (BNs) are a family of probabilistic graphical models which express rich statistical dependencies in binary data. Variational inference (VI) has been the main method proposed to learn noisy-OR BNs with complex latent structures (Jaakkola & Jordan, 1999; Ji et al., 2020; Buhai et al., 2020). However, the proposed VI approaches either (a) use a recognition network with standard amortized inference that cannot induce ``explaining-away''; or (b) assume a simple mean-field (MF) posterior which is vulnerable to bad local optima. Existing MF VI methods also update the MF parameters sequentially which makes them inherently slow. In this paper, we propose parallel max-product as an alternative algorithm for learning noisy-OR BNs with complex latent structures and we derive a fast stochastic training scheme that scales to large datasets. We evaluate both approaches on several benchmarks where VI is the state-of-the-art and show that our method (a) achieves better test performance than Ji et al. (2020) for learning noisy-OR BNs with hierarchical latent structures on large sparse real datasets; (b) recovers a higher number of ground truth parameters than Buhai et al. (2020) from cluttered synthetic scenes; and (c) solves the 2D blind deconvolution problem from Lazaro-Gredilla et al. (2021) and variant - including binary matrix factorization - while VI catastrophically fails and is up to two orders of magnitude slower.

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use of the Bayesian learning paradigm, preventing its widespread adoption across different fields and applications. This self-contained survey engages and introduces readers to the principles and algorithms of Bayesian Learning for Neural Networks. It provides an introduction to the topic from an accessible, practical-algorithmic perspective. Upon providing a general introduction to Bayesian Neural Networks, we discuss and present both standard and recent approaches for Bayesian inference, with an emphasis on solutions relying on Variational Inference and the use of Natural gradients. We also discuss the use of manifold optimization as a state-of-the-art approach to Bayesian learning. We examine the characteristic properties of all the discussed methods, and provide pseudo-codes for their implementation, paying attention to practical aspects, such as the computation of the gradients.

Trustworthy machine learning aims at combating distributional uncertainties in training data distributions compared to population distributions. Typical treatment frameworks include the Bayesian approach, (min-max) distributionally robust optimization (DRO), and regularization. However, two issues have to be raised: 1) All these methods are biased estimators of the true optimal cost; 2) the prior distribution in the Bayesian method, the radius of the distributional ball in the DRO method, and the regularizer in the regularization method are difficult to specify. This paper studies a new framework that unifies the three approaches and that addresses the two challenges mentioned above. The asymptotic properties (e.g., consistency and asymptotic normalities), non-asymptotic properties (e.g., unbiasedness and generalization error bound), and a Monte--Carlo-based solution method of the proposed model are studied. The new model reveals the trade-off between the robustness to the unseen data and the specificity to the training data.

Root Cause Analysis (RCA) plays an indispensable role in distributed data system maintenance and operations, as it bridges the gap between fault detection and system recovery. Existing works mainly study multidimensional localization or graph-based root cause localization. This paper opens up the possibilities of exploiting the recently developed framework of explainable AI (XAI) for the purpose of RCA. In particular, we propose BALANCE (BAyesian Linear AttributioN for root CausE localization), which formulates the problem of RCA through the lens of attribution in XAI and seeks to explain the anomalies in the target KPIs by the behavior of the candidate root causes. BALANCE consists of three innovative components. First, we propose a Bayesian multicollinear feature selection (BMFS) model to predict the target KPIs given the candidate root causes in a forward manner while promoting sparsity and concurrently paying attention to the correlation between the candidate root causes. Second, we introduce attribution analysis to compute the attribution score for each candidate in a backward manner. Third, we merge the estimated root causes related to each KPI if there are multiple KPIs. We extensively evaluate the proposed BALANCE method on one synthesis dataset as well as three real-world RCA tasks, that is, bad SQL localization, container fault localization, and fault type diagnosis for Exathlon. Results show that BALANCE outperforms the state-of-the-art (SOTA) methods in terms of accuracy with the least amount of running time, and achieves at least $6\%$ notably higher accuracy than SOTA methods for real tasks. BALANCE has been deployed to production to tackle real-world RCA problems, and the online results further advocate its usage for real-time diagnosis in distributed data systems.

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which allows one to cope with the computational complexity and also interpret and communicate the obtained knowledge. In the thesis, we consider two different types of PGMs: Bayesian networks (BNs) which are static, and continuous time Bayesian networks which, as the name suggests, have a temporal component. We are interested in recovering their true structure, which is the first step in learning any PGM. This is a challenging task, which is interesting in itself from the causal point of view, for the purposes of interpretation of the model and the decision-making process. All approaches for structure learning in the thesis are united by the same idea of maximum likelihood estimation with the LASSO penalty. The problem of structure learning is reduced to the problem of finding non-zero coefficients in the LASSO estimator for a generalized linear model. In the case of CTBNs, we consider the problem both for complete and incomplete data. We support the theoretical results with experiments.