This manuscript enriches the framework of continuous normalizing flows (CNFs) within causal inference, primarily to augment the geometric properties of parametric submodels used in targeted maximum likelihood estimation (TMLE). By introducing an innovative application of CNFs, we construct a refined series of parametric submodels that enable a directed interpolation between the prior distribution $p_0$ and the empirical distribution $p_1$. This proposed methodology serves to optimize the semiparametric efficiency bound in causal inference by orchestrating CNFs to align with Wasserstein gradient flows. Our approach not only endeavors to minimize the mean squared error in the estimation but also imbues the estimators with geometric sophistication, thereby enhancing robustness against misspecification. This robustness is crucial, as it alleviates the dependence on the standard $n^{\frac{1}{4}}$ rate for a doubly-robust perturbation direction in TMLE. By incorporating robust optimization principles and differential geometry into the estimators, the developed geometry-aware CNFs represent a significant advancement in the pursuit of doubly robust causal inference.

Decision-makers often observe the occurrence of events through a reporting process. City governments, for example, rely on resident reports to find and then resolve urban infrastructural problems such as fallen street trees, flooded basements, or rat infestations. Without additional assumptions, there is no way to distinguish events that occur but are not reported from events that truly did not occur--a fundamental problem in settings with positive-unlabeled data. Because disparities in reporting rates correlate with resident demographics, addressing incidents only on the basis of reports leads to systematic neglect in neighborhoods that are less likely to report events. We show how to overcome this challenge by leveraging the fact that events are spatially correlated. Our framework uses a Bayesian spatial latent variable model to infer event occurrence probabilities and applies it to storm-induced flooding reports in New York City, further pooling results across multiple storms. We show that a model accounting for under-reporting and spatial correlation predicts future reports more accurately than other models, and further induces a more equitable set of inspections: its allocations better reflect the population and provide equitable service to non-white, less traditionally educated, and lower-income residents. This finding reflects heterogeneous reporting behavior learned by the model: reporting rates are higher in Census tracts with higher populations, proportions of white residents, and proportions of owner-occupied households. Our work lays the groundwork for more equitable proactive government services, even with disparate reporting behavior.

Causal Structure Learning (CSL), amounting to extracting causal relations among the variables in a dataset, is widely perceived as an important step towards robust and transparent models. Constraint-based CSL leverages conditional independence tests to perform causal discovery. We propose Shapley-PC, a novel method to improve constraint-based CSL algorithms by using Shapley values over the possible conditioning sets to decide which variables are responsible for the observed conditional (in)dependences. We prove soundness and asymptotic consistency and demonstrate that it can outperform state-of-the-art constraint-based, search-based and functional causal model-based methods, according to standard metrics in CSL.

Most existing causal discovery methods rely on the assumption of no latent confounders, limiting their applicability in solving real-life problems. In this paper, we introduce a novel, versatile framework for causal discovery that accommodates the presence of causally-related hidden variables almost everywhere in the causal network (for instance, they can be effects of observed variables), based on rank information of covariance matrix over observed variables. We start by investigating the efficacy of rank in comparison to conditional independence and, theoretically, establish necessary and sufficient conditions for the identifiability of certain latent structural patterns. Furthermore, we develop a Rank-based Latent Causal Discovery algorithm, RLCD, that can efficiently locate hidden variables, determine their cardinalities, and discover the entire causal structure over both measured and hidden ones. We also show that, under certain graphical conditions, RLCD correctly identifies the Markov Equivalence Class of the whole latent causal graph asymptotically. Experimental results on both synthetic and real-world personality data sets demonstrate the efficacy of the proposed approach in finite-sample cases.

Enumerating the directed acyclic graphs (DAGs) of a Markov equivalence class (MEC) is an important primitive in causal analysis. The central resource from the perspective of computational complexity is the delay, that is, the time an algorithm that lists all members of the class requires between two consecutive outputs. Commonly used algorithms for this task utilize the rules proposed by Meek (1995) or the transformational characterization by Chickering (1995), both resulting in superlinear delay. In this paper, we present the first linear-time delay algorithm. On the theoretical side, we show that our algorithm can be generalized to enumerate DAGs represented by models that incorporate background knowledge, such as MPDAGs; on the practical side, we provide an efficient implementation and evaluate it in a series of experiments. Complementary to the linear-time delay algorithm, we also provide intriguing insights into Markov equivalence itself: All members of an MEC can be enumerated such that two successive DAGs have structural Hamming distance at most three.

Bayesian analysis has become an indispensable tool across many different cosmological fields including the study of gravitational waves, the Cosmic Microwave Background and the 21-cm signal from the Cosmic Dawn among other phenomena. The method provides a way to fit complex models to data describing key cosmological and astrophysical signals and a whole host of contaminating signals and instrumental effects modelled with `nuisance parameters'. In this paper, we summarise a method that uses Masked Autoregressive Flows and Kernel Density Estimators to learn marginal posterior densities corresponding to core science parameters. We find that the marginal or 'nuisance-free' posteriors and the associated likelihoods have an abundance of applications including; the calculation of previously intractable marginal Kullback-Leibler divergences and marginal Bayesian Model Dimensionalities, likelihood emulation and prior emulation. We demonstrate each application using toy examples, examples from the field of 21-cm cosmology and samples from the Dark Energy Survey. We discuss how marginal summary statistics like the Kullback-Leibler divergences and Bayesian Model Dimensionalities can be used to examine the constraining power of different experiments and how we can perform efficient joint analysis by taking advantage of marginal prior and likelihood emulators. We package our multipurpose code up in the pip-installable code margarine for use in the wider scientific community.

Identifying root causes of anomalies in causal processes is vital across disciplines. Once identified, one can isolate the root causes and implement necessary measures to restore the normal operation. Causal processes are often modelled as graphs with entities being nodes and their paths/interconnections as edge. Existing work only consider the contribution of nodes in the generative process, thus can not attribute the outlier score to the edges of the mechanism if the anomaly occurs in the connections. In this paper, we consider both individual edge and node of each mechanism when identifying the root causes. We introduce a noisy functional causal model to account for this purpose. Then, we employ Bayesian learning and inference methods to infer the noises of the nodes and edges. We then represent the functional form of a target outlier leaf as a function of the node and edge noises. Finally, we propose an efficient gradient-based attribution method to compute the anomaly attribution scores which scales linearly with the number of nodes and edges. Experiments on simulated datasets and two real-world scenario datasets show better anomaly attribution performance of the proposed method compared to the baselines. Our method scales to larger graphs with more nodes and edges.

We establish novel rates for the Gaussian approximation of random deep neural networks with Gaussian parameters (weights and biases) and Lipschitz activation functions, in the wide limit. Our bounds apply for the joint output of a network evaluated any finite input set, provided a certain non-degeneracy condition of the infinite-width covariances holds. We demonstrate that the distance between the network output and the corresponding Gaussian approximation scales inversely with the width of the network, exhibiting faster convergence than the naive heuristic suggested by the central limit theorem. We also apply our bounds to obtain theoretical approximations for the exact Bayesian posterior distribution of the network, when the likelihood is a bounded Lipschitz function of the network output evaluated on a (finite) training set. This includes popular cases such as the Gaussian likelihood, i.e. exponential of minus the mean squared error.

This paper studies the theoretical framework of the alignment process of generative models with Reinforcement Learning from Human Feedback (RLHF). We consider a standard mathematical formulation, the reverse-KL regularized contextual bandit for RLHF. Despite its widespread practical application, a rigorous theoretical analysis of this formulation remains open. We investigate its theoretical properties both in offline and online settings and propose efficient algorithms with finite-sample theoretical guarantees. Our work bridges the gap between theory and practice by linking our theoretical insights with existing practical alignment algorithms such as Direct Preference Optimization (DPO) and Rejection Sampling Optimization (RSO). Furthermore, these findings and connections also offer both theoretical and practical communities new tools and insights for future algorithmic design of alignment algorithms.

Vesicoureteral Reflux (VUR) is a pediatric disorder in which urine flows backwards from the bladder to the upper urinary tract. Its detection is of great importance as it increases the risk of a Urinary Tract Infection, which can then lead to a kidney infection since bacteria may have direct access to the kidneys. Unfortunately the detection of VUR requires a rather painful medical examination, called voiding cysteourethrogram (VCUG), that exposes the child to radiation. In an effort to avoid the exposure to radiation required by VCUG some recent studies examined the use of machine learning techniques for the detection of VUR based on data that can be obtained without exposing the child to radiation. This work takes one step further by proposing an approach that provides lower and upper bounds for the conditional probability of a given child having VUR. The important property of these bounds is that they are guaranteed (up to statistical fluctuations) to contain well-calibrated probabilities with the only requirement that observations are independent and identically distributed (i.i.d.). Therefore they are much more informative and reliable than the plain yes/no answers provided by other techniques.