This work presents novel extensions for combining two frameworks for quantifying both aleatoric (i.e., irreducible) and epistemic (i.e., reducible) sources of uncertainties in the modeling of engineered systems. The data-consistent (DC) framework poses an inverse problem and solution for quantifying aleatoric uncertainties in terms of pullback and push-forward measures for a given Quantity of Interest (QoI) map. Unfortunately, a pre-specified QoI map is not always available a priori to the collection of data associated with system outputs. The data themselves are often polluted with measurement errors (i.e., epistemic uncertainties), which complicates the process of specifying a useful QoI. The Learning Uncertain Quantities (LUQ) framework defines a formal three-step machine-learning enabled process for transforming noisy datasets into samples of a learned QoI map to enable DC-based inversion. We develop a robust filtering step in LUQ that can learn the most useful quantitative information present in spatio-temporal datasets. The learned QoI map transforms simulated and observed datasets into distributions to perform DC-based inversion. We also develop a DC-based inversion scheme that iterates over time as new spatial datasets are obtained and utilizes quantitative diagnostics to identify both the quality and impact of inversion at each iteration. Reproducing Kernel Hilbert Space theory is leveraged to mathematically analyze the learned QoI map and develop a quantitative sufficiency test for evaluating the filtered data. An illustrative example is utilized throughout while the final two examples involve the manufacturing of shells of revolution to demonstrate various aspects of the presented frameworks.

It is crucial for robots to be aware of the presence of constraints in order to acquire safe policies. However, explicitly specifying all constraints in an environment can be a challenging task. State-of-the-art constraint inference algorithms learn constraints from demonstrations, but tend to be computationally expensive and prone to instability issues. In this paper, we propose a novel Bayesian method that infers constraints based on preferences over demonstrations. The main advantages of our proposed approach are that it 1) infers constraints without calculating a new policy at each iteration, 2) uses a simple and more realistic ranking of groups of demonstrations, without requiring pairwise comparisons over all demonstrations, and 3) adapts to cases where there are varying levels of constraint violation. Our empirical results demonstrate that our proposed Bayesian approach infers constraints of varying severity, more accurately than state-of-the-art constraint inference methods.

This book aims to provide a working introduction to the emerging fusion of modern statistical inference - aka machine learning (ML) or artificial intelligence (AI) - and causal inference methods. The book is aimed at upper level undergraduates and master's-level students as well as doctoral students focusing on applied empirical research. A sufficient background for the core material is one semester of introductory econometrics and one semester of machine learning. We hope the book is also useful to empirical researchers looking to apply modern methods in their work. The book provides an overview of key ideas in both predictive inference and causal inference and shows how predictive tools are key ingredients to answering many causal questions.

Regression methods are fundamental for scientific and technological applications. However, fitted models can be highly unreliable outside of their training domain, and hence the quantification of their uncertainty is crucial in many of their applications. Based on the solution of a constrained optimization problem, we propose "prediction rigidities" as a method to obtain uncertainties of arbitrary pre-trained regressors. We establish a strong connection between our framework and Bayesian inference, and we develop a last-layer approximation that allows the new method to be applied to neural networks. This extension affords cheap uncertainties without any modification to the neural network itself or its training procedure. We show the effectiveness of our method on a wide range of regression tasks, ranging from simple toy models to applications in chemistry and meteorology.

We prove non-asymptotic error bounds for particle gradient descent (PGD)~(Kuntz et al., 2023), a recently introduced algorithm for maximum likelihood estimation of large latent variable models obtained by discretizing a gradient flow of the free energy. We begin by showing that, for models satisfying a condition generalizing both the log-Sobolev and the Polyak--{\L}ojasiewicz inequalities (LSI and P{\L}I, respectively), the flow converges exponentially fast to the set of minimizers of the free energy. We achieve this by extending a result well-known in the optimal transport literature (that the LSI implies the Talagrand inequality) and its counterpart in the optimization literature (that the P{\L}I implies the so-called quadratic growth condition), and applying it to our new setting. We also generalize the Bakry--\'Emery Theorem and show that the LSI/P{\L}I generalization holds for models with strongly concave log-likelihoods. For such models, we further control PGD's discretization error, obtaining non-asymptotic error bounds. While we are motivated by the study of PGD, we believe that the inequalities and results we extend may be of independent interest.

Deep Gaussian processes have recently been proposed as natural objects to fit, similarly to deep neural networks, possibly complex features present in modern data samples, such as compositional structures. Adopting a Bayesian nonparametric approach, it is natural to use deep Gaussian processes as prior distributions, and use the corresponding posterior distributions for statistical inference. We introduce the deep Horseshoe Gaussian process Deep-HGP, a new simple prior based on deep Gaussian processes with a squared-exponential kernel, that in particular enables data-driven choices of the key lengthscale parameters. For nonparametric regression with random design, we show that the associated tempered posterior distribution recovers the unknown true regression curve optimally in terms of quadratic loss, up to a logarithmic factor, in an adaptive way. The convergence rates are simultaneously adaptive to both the smoothness of the regression function and to its structure in terms of compositions. The dependence of the rates in terms of dimension are explicit, allowing in particular for input spaces of dimension increasing with the number of observations.

When machine learning systems meet real world applications, accuracy is only one of several requirements.

These appendices provide supplementary details and results of BAST. Appendix A contains additional details on Bayesian estimation and prediction. Supplementary simulation details and results including hyperparameter tuning and computation time can be found in Appendix B. Finally, Appendix C provides the proof of Proposition 1. Appendix A.1 Estimation This appendix provides details on the Markov chain Monte Carlo (MCMC) algorithm discussed in Section 3.1. This probability specification works well in our experiments, but one can modify it if desired. Appendix A.2 Prediction in Two-dimensional Constrained Domains In this subsection we provide details on specifying the neighbor set N To sample the cluster membership of u, we need to determine the cluster memberships for vertices on the domain boundary, which can be done by, for instance, assigning a boundary vertex to the same cluster as its nearest vertex in S with respect to the graph distance in the CDT mesh (when the number of vertices in the CDT graph is large, we expect this to well approximate the geodesic distance).

Recovering dynamical equations from observed noisy data is the central challenge of system identification. We develop a statistical mechanical approach to analyze sparse equation discovery algorithms, which typically balance data fit and parsimony through a trial-and-error selection of hyperparameters. In this framework, statistical mechanics offers tools to analyze the interplay between complexity and fitness, in analogy to that done between entropy and energy. To establish this analogy, we define the optimization procedure as a two-level Bayesian inference problem that separates variable selection from coefficient values and enables the computation of the posterior parameter distribution in closed form. A key advantage of employing statistical mechanical concepts, such as free energy and the partition function, is in the quantification of uncertainty, especially in in the low-data limit; frequently encountered in real-world applications. As the data volume increases, our approach mirrors the thermodynamic limit, leading to distinct sparsity- and noise-induced phase transitions that delineate correct from incorrect identification. This perspective of sparse equation discovery, is versatile and can be adapted to various other equation discovery algorithms.

In a basketball game, scoring efficiency holds significant importance due to the numerous offensive possessions per game. Enhancing scoring efficiency necessitates effective collaboration among players with diverse playing styles. In previous studies, basketball lineups have been analyzed, but their playing style compatibility has not been quantitatively examined. The purpose of this study is to analyze more specifically the impact of playing style compatibility on scoring efficiency, focusing only on offense. This study employs two methods to capture the playing styles of players on offense: shooting style clustering using tracking data, and offensive role clustering based on annotated playtypes and advanced statistics. For the former, interpretable hand-crafted shot features and Wasserstein distances between shooting style distributions were utilized. For the latter, soft clustering was applied to playtype data for the first time. Subsequently, based on the lineup information derived from these two clusterings, machine learning models Bayesian models that predict statistics representing scoring efficiency were trained and interpreted. These approaches provide insights into which combinations of five players tend to be effective and which combinations of two players tend to produce good effects.