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Dependence is undoubtedly a central concept in statistics. Though, it proves difficult to locate in the literature a formal definition which goes beyond the self-evident 'dependence = non-independence'. This absence has allowed the term 'dependence' and its declination to be used vaguely and indiscriminately for qualifying a variety of disparate notions, leading to numerous incongruities. For example, the classical Pearson's, Spearman's or Kendall's correlations are widely regarded as 'dependence measures' of major interest, in spite of returning 0 in some cases of deterministic relationships between the variables at play, evidently not measuring dependence at all. Arguing that research on such a fundamental topic would benefit from a slightly more rigid framework, this paper suggests a general definition of the dependence between two random variables defined on the same probability space. Natural enough for aligning with intuition, that definition is still sufficiently precise for allowing unequivocal identification of a 'universal' representation of the dependence structure of any bivariate distribution. Links between this representation and familiar concepts are highlighted, and ultimately, the idea of a dependence measure based on that universal representation is explored and shown to satisfy Renyi's postulates.

Our research deals with the optimization version of the set partition problem, where the objective is to minimize the absolute difference between the sums of the two disjoint partitions. Although this problem is known to be NP-hard and requires exponential time to solve, we propose a less demanding version of this problem where the goal is to find a locally optimal solution. In our approach, we consider the local optimality in respect to any movement of at most two elements. To accomplish this, we developed an algorithm that can generate a locally optimal solution in at most $O(N^2)$ time and $O(N)$ space. Our algorithm can handle arbitrary input precisions and does not require positive or integer inputs. Hence, it can be applied in various problem scenarios with ease.

In covariate-adaptive or response-adaptive randomization, the treatment assignment and outcome can be correlated. Under this situation, re-randomization tests are a straightforward and attractive method to provide valid statistical inference. In this paper, we investigate the number of repetitions in the re-randomization tests. This is motivated by the group sequential design in clinical trials, where the nominal significance bound can be very small at an interim analysis. Accordingly, re-randomization tests lead to a very large number of required repetitions, which may be computationally intractable. To reduce the number of repetitions, we propose an adaptive procedure and compare it with multiple approaches under pre-defined criteria. Monte Carlo simulations are conducted to show the performance of different approaches in a limited sample size. We also suggest strategies to reduce total computation time and provide practical guidance in preparing, executing and reporting before and after data are unblinded at an interim analysis, so one can complete the computation within a reasonable time frame.

We are interested in predicting failures of cyber-physical systems during their operation. Particularly, we consider stochastic systems and signal temporal logic specifications, and we want to calculate the probability that the current system trajectory violates the specification. The paper presents two predictive runtime verification algorithms that predict future system states from the current observed system trajectory. As these predictions may not be accurate, we construct prediction regions that quantify prediction uncertainty by using conformal prediction, a statistical tool for uncertainty quantification. Our first algorithm directly constructs a prediction region for the satisfaction measure of the specification so that we can predict specification violations with a desired confidence. The second algorithm constructs prediction regions for future system states first, and uses these to obtain a prediction region for the satisfaction measure. To the best of our knowledge, these are the first formal guarantees for a predictive runtime verification algorithm that applies to widely used trajectory predictors such as RNNs and LSTMs, while being computationally simple and making no assumptions on the underlying distribution. We present numerical experiments of an F-16 aircraft and a self-driving car.

Numerical predictions of quantities of interest measured within physical systems rely on the use of mathematical models that should be validated, or at best, not invalidated. Model validation usually involves the comparison of experimental data (outputs from the system of interest) and model predictions, both obtained at a specific validation scenario. The design of this validation experiment should be directly relevant to the objective of the model, that of predicting a quantity of interest at a prediction scenario. In this paper, we address two specific issues arising when designing validation experiments. The first issue consists in determining an appropriate validation scenario in cases where the prediction scenario cannot be carried out in a controlled environment. The second issue concerns the selection of observations when the quantity of interest cannot be readily observed. The proposed methodology involves the computation of influence matrices that characterize the response surface of given model functionals. Minimization of the distance between influence matrices allow one for selecting a validation experiment most representative of the prediction scenario. We illustrate our approach on two numerical examples. The first example considers the validation of a simple model based on an ordinary differential equation governing an object in free fall to put in evidence the importance of the choice of the validation experiment. The second numerical experiment focuses on the transport of a pollutant and demonstrates the impact that the choice of the quantity of interest has on the validation experiment to be performed.

As data-driven methods are deployed in real-world settings, the processes that generate the observed data will often react to the decisions of the learner. For example, a data source may have some incentive for the algorithm to provide a particular label (e.g. approve a bank loan), and manipulate their features accordingly. Work in strategic classification and decision-dependent distributions seeks to characterize the closed-loop behavior of deploying learning algorithms by explicitly considering the effect of the classifier on the underlying data distribution. More recently, works in performative prediction seek to classify the closed-loop behavior by considering general properties of the mapping from classifier to data distribution, rather than an explicit form. Building on this notion, we analyze repeated risk minimization as the perturbed trajectories of the gradient flows of performative risk minimization. We consider the case where there may be multiple local minimizers of performative risk, motivated by situations where the initial conditions may have significant impact on the long-term behavior of the system. We provide sufficient conditions to characterize the region of attraction for the various equilibria in this settings. Additionally, we introduce the notion of performative alignment, which provides a geometric condition on the convergence of repeated risk minimization to performative risk minimizers.

Making causal inferences from observational studies can be challenging when confounders are missing not at random. In such cases, identifying causal effects is often not guaranteed. Motivated by a real example, we consider a treatment-independent missingness assumption under which we establish the identification of causal effects when confounders are missing not at random. We propose a weighted estimating equation (WEE) approach for estimating model parameters and introduce three estimators for the average causal effect, based on regression, propensity score weighting, and doubly robust methods. We evaluate the performance of these estimators through simulations, and provide a real data analysis to illustrate our proposed method.

Algorithmic Fairness is an established area of machine learning, willing to reduce the influence of hidden bias in the data. Yet, despite its wide range of applications, very few works consider the multi-class classification setting from the fairness perspective. We focus on this question and extend the definition of approximate fairness in the case of Demographic Parity to multi-class classification. We specify the corresponding expressions of the optimal fair classifiers. This suggests a plug-in data-driven procedure, for which we establish theoretical guarantees. The enhanced estimator is proved to mimic the behavior of the optimal rule both in terms of fairness and risk. Notably, fairness guarantees are distribution-free. The approach is evaluated on both synthetic and real datasets and reveals very effective in decision making with a preset level of unfairness. In addition, our method is competitive (if not better) with the state-of-the-art in binary and multi-class tasks.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.