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The classical Minkowski problem for convex bodies has deeply influenced the development of differential geometry. During the past several decades, abundant mathematical theories have been developed for studying the solutions of the Minkowski problem, however, the numerical solution of this problem has been largely left behind, with only few methods available to achieve that goal. In this article, focusing on the two-dimensional Minkowski problem with Dirichlet boundary conditions, we introduce two solution methods, both based on operator-splitting. One of these two methods deals directly with the Dirichlet condition, while the other method uses an approximation of this Dirichlet condition. This relaxation of the Dirichlet condition makes this second method better suited than the first one to treat those situations where the Minkowski and the Dirichlet condition are not compatible. Both methods are generalizations of the solution method for the canonical Monge-Amp\`{e}re equation discussed by Glowinski et al. (Journal of Scientific Computing, 79(1), 1-47, 2019); as such they take advantage of a divergence formulation of the Minkowski problem, well-suited to a mixed finite element approximation, and to the the time-discretization via an operator-splitting scheme, of an associated initial value problem. Our methodology can be easily implemented on convex domains of rather general shape (with curved boundaries, possibly). The numerical experiments we performed validate both methods and show that if one uses continuous piecewise affine finite element approximations of the smooth solution of the Minkowski problem and of its three second order derivatives, these two methods provide nearly second order accuracy for the $L^2$ and $L^{\infty}$ error. One can extend easily the methods discussed in this article, to address the solution of three-dimensional Minkowski problem.

The dynamic ranking, due to its increasing importance in many applications, is becoming crucial, especially with the collection of voluminous time-dependent data. One such application is sports statistics, where dynamic ranking aids in forecasting the performance of competitive teams, drawing on historical and current data. Despite its usefulness, predicting and inferring rankings pose challenges in environments necessitating time-dependent modeling. This paper introduces a spectral ranker called Kernel Rank Centrality, designed to rank items based on pairwise comparisons over time. The ranker operates via kernel smoothing in the Bradley-Terry model, utilizing a Markov chain model. Unlike the maximum likelihood approach, the spectral ranker is nonparametric, demands fewer model assumptions and computations, and allows for real-time ranking. We establish the asymptotic distribution of the ranker by applying an innovative group inverse technique, resulting in a uniform and precise entrywise expansion. This result allows us to devise a new inferential method for predictive inference, previously unavailable in existing approaches. Our numerical examples showcase the ranker's utility in predictive accuracy and constructing an uncertainty measure for prediction, leveraging data from the National Basketball Association (NBA). The results underscore our method's potential compared to the gold standard in sports, the Arpad Elo rating system.

Equipping a deep model the abaility of few-shot learning, i.e., learning quickly from only few examples, is a core challenge for artificial intelligence. Gradient-based meta-learning approaches effectively address the challenge by learning how to learn novel tasks. Its key idea is learning a deep model in a bi-level optimization manner, where the outer-loop process learns a shared gradient descent algorithm (i.e., its hyperparameters), while the inner-loop process leverage it to optimize a task-specific model by using only few labeled data. Although these existing methods have shown superior performance, the outer-loop process requires calculating second-order derivatives along the inner optimization path, which imposes considerable memory burdens and the risk of vanishing gradients. Drawing inspiration from recent progress of diffusion models, we find that the inner-loop gradient descent process can be actually viewed as a reverse process (i.e., denoising) of diffusion where the target of denoising is model weights but the origin data. Based on this fact, in this paper, we propose to model the gradient descent optimizer as a diffusion model and then present a novel task-conditional diffusion-based meta-learning, called MetaDiff, that effectively models the optimization process of model weights from Gaussion noises to target weights in a denoising manner. Thanks to the training efficiency of diffusion models, our MetaDiff do not need to differentiate through the inner-loop path such that the memory burdens and the risk of vanishing gradients can be effectvely alleviated. Experiment results show that our MetaDiff outperforms the state-of-the-art gradient-based meta-learning family in few-shot learning tasks.

In this manuscript we derive the optimal out-of-sample causal predictor for a linear system that has been observed in $k+1$ within-sample environments. In this model we consider $k$ shifted environments and one observational environment. Each environment corresponds to a linear structural equation model (SEM) with its own shift and noise vector, both in $L^2$. The strength of the shifts can be put in a certain order, and we may therefore speak of all shifts that are less or equally strong than a given shift. We consider the space of all shifts are $\gamma$ times less or equally strong than any weighted average of the observed shift vectors with weights on the unit sphere. For each $\beta\in\mathbb{R}^p$ we show that the supremum of the risk functions $R_{\tilde{A}}(\beta)$ over $\tilde{A}\in C^\gamma$ has a worst-risk decomposition into a (positive) linear combination of risk functions, depending on $\gamma$. We then define the causal regularizer, $\beta_\gamma$, as the argument $\beta$ that minimizes this risk. The main result of the paper is that this regularizer can be consistently estimated with a plug-in estimator outside a set of zero Lebesgue measure in the parameter space. A practical obstacle for such estimation is that it involves the solution of a general degree polynomial which cannot be done explicitly. Therefore we also prove that an approximate plug-in estimator using the bisection method is also consistent. An interesting by-product of the proof of the main result is that the plug-in estimation of the argmin of the maxima of a finite set of quadratic risk functions is consistent outside a set of zero Lebesgue measure in the parameter space.

In a well-calibrated risk prediction model, the average predicted probability is close to the true event rate for any given subgroup. Such models are reliable across heterogeneous populations and satisfy strong notions of algorithmic fairness. However, the task of auditing a model for strong calibration is well-known to be difficult -- particularly for machine learning (ML) algorithms -- due to the sheer number of potential subgroups. As such, common practice is to only assess calibration with respect to a few predefined subgroups. Recent developments in goodness-of-fit testing offer potential solutions but are not designed for settings with weak signal or where the poorly calibrated subgroup is small, as they either overly subdivide the data or fail to divide the data at all. We introduce a new testing procedure based on the following insight: if we can reorder observations by their expected residuals, there should be a change in the association between the predicted and observed residuals along this sequence if a poorly calibrated subgroup exists. This lets us reframe the problem of calibration testing into one of changepoint detection, for which powerful methods already exist. We begin with introducing a sample-splitting procedure where a portion of the data is used to train a suite of candidate models for predicting the residual, and the remaining data are used to perform a score-based cumulative sum (CUSUM) test. To further improve power, we then extend this adaptive CUSUM test to incorporate cross-validation, while maintaining Type I error control under minimal assumptions. Compared to existing methods, the proposed procedure consistently achieved higher power in simulation studies and more than doubled the power when auditing a mortality risk prediction model.

We investigate the fixed-budget best-arm identification (BAI) problem for linear bandits in a potentially non-stationary environment. Given a finite arm set $\mathcal{X}\subset\mathbb{R}^d$, a fixed budget $T$, and an unpredictable sequence of parameters $\left\lbrace\theta_t\right\rbrace_{t=1}^{T}$, an algorithm will aim to correctly identify the best arm $x^* := \arg\max_{x\in\mathcal{X}}x^\top\sum_{t=1}^{T}\theta_t$ with probability as high as possible. Prior work has addressed the stationary setting where $\theta_t = \theta_1$ for all $t$ and demonstrated that the error probability decreases as $\exp(-T /\rho^*)$ for a problem-dependent constant $\rho^*$. But in many real-world $A/B/n$ multivariate testing scenarios that motivate our work, the environment is non-stationary and an algorithm expecting a stationary setting can easily fail. For robust identification, it is well-known that if arms are chosen randomly and non-adaptively from a G-optimal design over $\mathcal{X}$ at each time then the error probability decreases as $\exp(-T\Delta^2_{(1)}/d)$, where $\Delta_{(1)} = \min_{x \neq x^*} (x^* - x)^\top \frac{1}{T}\sum_{t=1}^T \theta_t$. As there exist environments where $\Delta_{(1)}^2/ d \ll 1/ \rho^*$, we are motivated to propose a novel algorithm $\mathsf{P1}$-$\mathsf{RAGE}$ that aims to obtain the best of both worlds: robustness to non-stationarity and fast rates of identification in benign settings. We characterize the error probability of $\mathsf{P1}$-$\mathsf{RAGE}$ and demonstrate empirically that the algorithm indeed never performs worse than G-optimal design but compares favorably to the best algorithms in the stationary setting.

Complex interactions between two opposing agents frequently occur in domains of machine learning, game theory, and other application domains. Quantitatively analyzing the strategies involved can provide an objective basis for decision-making. One such critical scenario is shot-taking in football, where decisions, such as whether the attacker should shoot or pass the ball and whether the defender should attempt to block the shot, play a crucial role in the outcome of the game. However, there are currently no effective data-driven and/or theory-based approaches to analyzing such situations. To address this issue, we proposed a novel framework to analyze such scenarios based on game theory, where we estimate the expected payoff with machine learning (ML) models, and additional features for ML models were extracted with a theory-based shot block model. Conventionally, successes or failures (1 or 0) are used as payoffs, while a success shot (goal) is extremely rare in football. Therefore, we proposed the Expected Probability of Shot On Target (xSOT) metric to evaluate players' actions even if the shot results in no goal; this allows for effective differentiation and comparison between different shots and even enables counterfactual shot situation analysis. In our experiments, we have validated the framework by comparing it with baseline and ablated models. Furthermore, we have observed a high correlation between the xSOT and existing metrics. This alignment of information suggests that xSOT provides valuable insights. Lastly, as an illustration, we studied optimal strategies in the World Cup 2022 and analyzed a shot situation in EURO 2020.

The regression of a functional response on a set of scalar predictors can be a challenging task, especially if there is a large number of predictors, or the relationship between those predictors and the response is nonlinear. In this work, we propose a solution to this problem: a feed-forward neural network (NN) designed to predict a functional response using scalar inputs. First, we transform the functional response to a finite-dimensional representation and construct an NN that outputs this representation. Then, we propose to modify the output of an NN via the objective function and introduce different objective functions for network training. The proposed models are suited for both regularly and irregularly spaced data, and a roughness penalty can be further applied to control the smoothness of the predicted curve. The difficulty in implementing both those features lies in the definition of objective functions that can be back-propagated. In our experiments, we demonstrate that our model outperforms the conventional function-on-scalar regression model in multiple scenarios while computationally scaling better with the dimension of the predictors.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

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.