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We propose a second-order accurate semi-implicit and well-balanced finite volume scheme for the equations of ideal magnetohydrodynamics (MHD) including gravitational source terms. The scheme treats all terms associated with the acoustic pressure implicitly while keeping the remaining terms part of the explicit sub-system. This semi-implicit approach makes the method particularly well suited for problems in the low Mach regime. We combine the semi-implicit scheme with the deviation well-balancing technique and prove that it maintains equilibrium solutions for the magnetohydrostatic case up to rounding errors. In order to preserve the divergence-free property of the magnetic field enforced by the solenoidal constraint, we incorporate a constrained transport method in the semi-implicit framework. Second order of accuracy is achieved by means of a standard spatial reconstruction technique with total variation diminishing (TVD) property, and by an asymptotic preserving (AP) time stepping algorithm built upon the implicit-explicit (IMEX) Runge-Kutta time integrators. Numerical tests in the low Mach regime and near magnetohydrostatic equilibria support the low Mach and well-balanced properties of the numerical method.

The problem of estimating return levels of river discharge, relevant in flood frequency analysis, is tackled by relying on the extreme value theory. The Generalized Extreme Value (GEV) distribution is assumed to model annual maxima values of river discharge registered at multiple gauging stations belonging to the same river basin. The specific features of the data from the Upper Danube basin drive the definition of the proposed statistical model. Firstly, Bayesian P-splines are considered to account for the non-linear effects of station-specific covariates on the GEV parameters. Secondly, the problem of functional and variable selection is addressed by imposing a grouped horseshoe prior on the coefficients, to encourage the shrinkage of non-relevant components to zero. A cross-validation study is organized to compare the proposed modeling solution to other models, showing its potential in reducing the uncertainty of the ungauged predictions without affecting their calibration.

The application of machine learning in solar physics has the potential to greatly enhance our understanding of the complex processes that take place in the atmosphere of the Sun. By using techniques such as deep learning, we are now in the position to analyze large amounts of data from solar observations and identify patterns and trends that may not have been apparent using traditional methods. This can help us improve our understanding of explosive events like solar flares, which can have a strong effect on the Earth environment. Predicting hazardous events on Earth becomes crucial for our technological society. Machine learning can also improve our understanding of the inner workings of the sun itself by allowing us to go deeper into the data and to propose more complex models to explain them. Additionally, the use of machine learning can help to automate the analysis of solar data, reducing the need for manual labor and increasing the efficiency of research in this field.

Classification is a classic problem but encounters lots of challenges when dealing with a large number of features, which is common in many modern applications, such as identifying tumor sub-types from genomic data or categorizing customer attitudes based on on-line reviews. We propose a new framework that utilizes the ranks of pairwise distances among observations and identifies a common pattern under moderate to high dimensions that has been overlooked before. The proposed method exhibits superior classification power over existing methods under a variety of scenarios. Furthermore, the proposed method can be applied to non-Euclidean data objects, such as network data. We illustrate the method through an analysis of Neuropixels data where neurons are classified based on their firing activities. Additionally, we explore a related approach that is simpler to understand and investigates key quantities that play essential roles in our novel approach.

Nonparametric tests for functional data are a challenging class of tests to work with because of the potentially high dimensional nature of functional data. One of the main challenges for considering rank-based tests, like the Mann-Whitney or Wilcoxon Rank Sum tests (MWW), is that the unit of observation is a curve. Thus any rank-based test must consider ways of ranking curves. While several procedures, including depth-based methods, have recently been used to create scores for rank-based tests, these scores are not constructed under the null and often introduce additional, uncontrolled for variability. We therefore reconsider the problem of rank-based tests for functional data and develop an alternative approach that incorporates the null hypothesis throughout. Our approach first ranks realizations from the curves at each time point, summarizes the ranks for each subject using a sufficient statistic we derive, and finally re-ranks the sufficient statistics in a procedure we refer to as a doubly ranked test. As we demonstrate, doubly rank tests are more powerful while maintaining ideal type I error in the two sample, MWW setting. We also extend our framework to more than two samples, developing a Kruskal-Wallis test for functional data which exhibits good test characteristics as well. Finally, we illustrate the use of doubly ranked tests in functional data contexts from material science, climatology, and public health policy.

In a world increasingly reliant on artificial intelligence, it is more important than ever to consider the ethical implications of artificial intelligence on humanity. One key under-explored challenge is labeler bias, which can create inherently biased datasets for training and subsequently lead to inaccurate or unfair decisions in healthcare, employment, education, and law enforcement. Hence, we conducted a study to investigate and measure the existence of labeler bias using images of people from different ethnicities and sexes in a labeling task. Our results show that participants possess stereotypes that influence their decision-making process and that labeler demographics impact assigned labels. We also discuss how labeler bias influences datasets and, subsequently, the models trained on them. Overall, a high degree of transparency must be maintained throughout the entire artificial intelligence training process to identify and correct biases in the data as early as possible.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

With the explosion of online news, personalized news recommendation becomes increasingly important for online news platforms to help their users find interesting information. Existing news recommendation methods achieve personalization by building accurate news representations from news content and user representations from their direct interactions with news (e.g., click), while ignoring the high-order relatedness between users and news. Here we propose a news recommendation method which can enhance the representation learning of users and news by modeling their relatedness in a graph setting. In our method, users and news are both viewed as nodes in a bipartite graph constructed from historical user click behaviors. For news representations, a transformer architecture is first exploited to build news semantic representations. Then we combine it with the information from neighbor news in the graph via a graph attention network. For user representations, we not only represent users from their historically clicked news, but also attentively incorporate the representations of their neighbor users in the graph. Improved performances on a large-scale real-world dataset validate the effectiveness of our proposed method.

This paper addresses the difficulty of forecasting multiple financial time series (TS) conjointly using deep neural networks (DNN). We investigate whether DNN-based models could forecast these TS more efficiently by learning their representation directly. To this end, we make use of the dynamic factor graph (DFG) from that we enhance by proposing a novel variable-length attention-based mechanism to render it memory-augmented. Using this mechanism, we propose an unsupervised DNN architecture for multivariate TS forecasting that allows to learn and take advantage of the relationships between these TS. We test our model on two datasets covering 19 years of investment funds activities. Our experimental results show that our proposed approach outperforms significantly typical DNN-based and statistical models at forecasting their 21-day price trajectory.

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.