Nonlinear additive noise models and their heteroscedastic extensions are a popular modelling framework for causal discovery and inference. They allow to infer the true causal connections and effects from the multivariate distribution when the nonparametric model is correct; see, e.g., Hoyer et al. (2008); Peters et al. (2014) or, for heteroscedastic models, Strobl and Lasko (2023); Immer et al. (2023). However, the conclusions can be misleading if the additive noise model is misspecified, especially in the presence of hidden confounding variables. In this paper, we define the term "causal well-specification" of additive noise models, discuss its relevance, and finally present a corresponding estimation technique for observational data. The concept of well-specification for regression functionals in parametric regression was introduced by Buja et al. (2019).

In this paper, we compare and contrast the behavior of the posterior predictive distribution to the risk of the maximum a posteriori (MAP) estimator for the random features regression model in the overparameterized regime. We will focus on the variance of the posterior predictive distribution (Bayesian model average) and compare its asymptotics to that of the risk of the MAP estimator. In the regime where the model dimensions grow faster than any constant multiple of the number of samples, asymptotic agreement between these two quantities is governed by the phase transition in the signal-to-noise ratio. They also asymptotically agree with each other when the number of samples grows faster than any constant multiple of model dimensions. Numerical simulations illustrate finer distributional properties of the two quantities for finite dimensions. We conjecture they have Gaussian fluctuations and exhibit similar properties as found by previous authors in a Gaussian sequence model, which is of independent theoretical interest.

Neural additive models (NAMs) can improve the interpretability of deep neural networks by handling input features in separate additive sub-networks. However, they lack inherent mechanisms that provide calibrated uncertainties and enable selection of relevant features and interactions. Approaching NAMs from a Bayesian perspective, we enhance them in three primary ways, namely by a) providing credible intervals for the individual additive sub-networks; b) estimating the marginal likelihood to perform an implicit selection of features via an empirical Bayes procedure; and c) enabling a ranking of feature pairs as candidates for second-order interaction in fine-tuned models. In particular, we develop Laplace-approximated NAMs (LA-NAMs), which show improved empirical performance on tabular datasets and challenging real-world medical tasks.

Stein thinning is a promising algorithm proposed by (Riabiz et al., 2022) for post-processing outputs of Markov chain Monte Carlo (MCMC). The main principle is to greedily minimize the kernelized Stein discrepancy (KSD), which only requires the gradient of the log-target distribution, and is thus well-suited for Bayesian inference. The main advantages of Stein thinning are the automatic remove of the burn-in period, the correction of the bias introduced by recent MCMC algorithms, and the asymptotic properties of convergence towards the target distribution. Nevertheless, Stein thinning suffers from several empirical pathologies, which may result in poor approximations, as observed in the literature. In this article, we conduct a theoretical analysis of these pathologies, to clearly identify the mechanisms at stake, and suggest improved strategies. Then, we introduce the regularized Stein thinning algorithm to alleviate the identified pathologies. Finally, theoretical guarantees and extensive experiments show the high efficiency of the proposed algorithm. An implementation of regularized Stein thinning as the kernax library in python and JAX is available at https://gitlab.com/drti/kernax.

Ill-posed linear inverse problems arise frequently in various applications, from computational photography to medical imaging. A recent line of research exploits Bayesian inference with informative priors to handle the ill-posedness of such problems. Amongst such priors, score-based generative models (SGM) have recently been successfully applied to several different inverse problems. In this study, we exploit the particular structure of the prior defined by the SGM to define a sequence of intermediate linear inverse problems. As the noise level decreases, the posteriors of these inverse problems get closer to the target posterior of the original inverse problem. To sample from this sequence of posteriors, we propose the use of Sequential Monte Carlo (SMC) methods. The proposed algorithm, MCGDiff, is shown to be theoretically grounded and we provide numerical simulations showing that it outperforms competing baselines when dealing with ill-posed inverse problems in a Bayesian setting.

This article presents a novel method for causal discovery with generalized structural equation models suited for analyzing diverse types of outcomes, including discrete, continuous, and mixed data. Causal discovery often faces challenges due to unmeasured confounders that hinder the identification of causal relationships. The proposed approach addresses this issue by developing two peeling algorithms (bottom-up and top-down) to ascertain causal relationships and valid instruments. This approach first reconstructs a super-graph to represent ancestral relationships between variables, using a peeling algorithm based on nodewise GLM regressions that exploit relationships between primary and instrumental variables. Then, it estimates parent-child effects from the ancestral relationships using another peeling algorithm while deconfounding a child's model with information borrowed from its parents' models. The article offers a theoretical analysis of the proposed approach, which establishes conditions for model identifiability and provides statistical guarantees for accurately discovering parent-child relationships via the peeling algorithms. Furthermore, the article presents numerical experiments showcasing the effectiveness of our approach in comparison to state-of-the-art structure learning methods without confounders. Lastly, it demonstrates an application to Alzheimer's disease (AD), highlighting the utility of the method in constructing gene-to-gene and gene-to-disease regulatory networks involving Single Nucleotide Polymorphisms (SNPs) for healthy and AD subjects.

In the process of building (structural learning) a probabilistic graphical model from a set of observed data, the directional, cyclic dependencies between the random variables of the model are often found. Existing graphical models such as Bayesian and Markov networks can reflect such dependencies. However, this requires complicating those models, such as adding additional variables or dividing the model graph into separate subgraphs. Herein, we describe a probabilistic graphical model - probabilistic relation network - that allows the direct capture of directional cyclic dependencies during structural learning. This model is based on the simple idea that each sample of the observed data can be represented by an arbitrary graph (structured outcome), which reflects the structure of the dependencies of the variables included in the sample. Each of the outcomes contains only a part of the graphical model structure; however, a complete graph of the probabilistic model is obtained by combining different outcomes. Such a graph, unlike Bayesian and Markov networks, can be directed and can have cycles. We explored the full joint distribution and conditional distribution and conditional independence properties of variables in the proposed model. We defined the algorithms for constructing of the model from the dataset and for calculating the conditional and full joint distributions. We also performed a numerical comparison with Bayesian and Markov networks. This model does not violate the probability axioms, and it supports learning from observed data. Notably, it supports probabilistic inference, making it a prospective tool in data analysis and in expert and design-making applications.

This work addresses the problem of automated covariate selection under limited prior knowledge. Given an exposure-outcome pair {X,Y} and a variable set Z of unknown causal structure, the Local Discovery by Partitioning (LDP) algorithm partitions Z into subsets defined by their relation to {X,Y}. We enumerate eight exhaustive and mutually exclusive partitions of any arbitrary Z and leverage this taxonomy to differentiate confounders from other variable types. LDP is motivated by valid adjustment set identification, but avoids the pretreatment assumption commonly made by automated covariate selection methods. We provide theoretical guarantees that LDP returns a valid adjustment set for any Z that meets sufficient graphical conditions. Under stronger conditions, we prove that partition labels are asymptotically correct. Total independence tests is worst-case quadratic in |Z|, with sub-quadratic runtimes observed empirically. We numerically validate our theoretical guarantees on synthetic and semi-synthetic graphs. Adjustment sets from LDP yield less biased and more precise average treatment effect estimates than baselines, with LDP outperforming on confounder recall, test count, and runtime for valid adjustment set discovery.

Both approaches enable sampling and density estimation of conditional probability distributions, which are core tasks in Bayesian inference. Our methods represent the target conditional distributions as transformations of a tractable reference distribution and, therefore, fall into the framework of measure transport. COT maps are a canonical choice within this framework, with desirable properties such as uniqueness and monotonicity. However, the associated COT problems are computationally challenging, even in moderate dimensions. To improve the scalability, our numerical algorithms leverage neural networks to parameterize COT maps. Our methods exploit the structure of the static and dynamic formulations of the COT problem. PCP-Map models conditional transport maps as the gradient of a partially input convex neural network (PICNN) and uses a novel numerical implementation to increase computational efficiency compared to state-of-the-art alternatives. COT-Flow models conditional transports via the flow of a regularized neural ODE; it is slower to train but offers faster sampling. We demonstrate their effectiveness and efficiency by comparing them with state-of-the-art approaches using benchmark datasets and Bayesian inverse problems.

We study empirical Bayes estimation in high-dimensional linear regression. To facilitate computationally efficient estimation of the underlying prior, we adopt a variational empirical Bayes approach, introduced originally in Carbonetto and Stephens (2012) and Kim et al. (2022). We establish asymptotic consistency of the nonparametric maximum likelihood estimator (NPMLE) and its (computable) naive mean field variational surrogate under mild assumptions on the design and the prior. Assuming, in addition, that the naive mean field approximation has a dominant optimizer, we develop a computationally efficient approximation to the oracle posterior distribution, and establish its accuracy under the 1-Wasserstein metric. This enables computationally feasible Bayesian inference; e.g., construction of posterior credible intervals with an average coverage guarantee, Bayes optimal estimation for the regression coefficients, estimation of the proportion of non-nulls, etc. Our analysis covers both deterministic and random designs, and accommodates correlations among the features. To the best of our knowledge, this provides the first rigorous nonparametric empirical Bayes method in a high-dimensional regression setting without sparsity.