Knowing the causal structure of a system is of fundamental interest in many areas of science and can aid the design of prediction algorithms that work well under manipulations to the system. The causal structure becomes identifiable from the observational distribution under certain restrictions. To learn the structure from data, score-based methods evaluate different graphs according to the quality of their fits. However, for large, continuous, and nonlinear models, these rely on heuristic optimization approaches with no general guarantees of recovering the true causal structure. In this paper, we consider structure learning of directed trees. We propose a fast and scalable method based on Chu-Liu-Edmonds' algorithm we call causal additive trees (CAT). For the case of Gaussian errors, we prove consistency in an asymptotic regime with a vanishing identifiability gap. We also introduce two methods for testing substructure hypotheses with asymptotic family-wise error rate control that is valid post-selection and in unidentified settings. Furthermore, we study the identifiability gap, which quantifies how much better the true causal model fits the observational distribution, and prove that it is lower bounded by local properties of the causal model. Simulation studies demonstrate the favorable performance of CAT compared to competing structure learning methods.

We consider the problem of predicting a response $Y$ from a set of covariates $X$ when test and training distributions differ. Since such differences may have causal explanations, we consider test distributions that emerge from interventions in a structural causal model, and focus on minimizing the worst-case risk. Causal regression models, which regress the response on its direct causes, remain unchanged under arbitrary interventions on the covariates, but they are not always optimal in the above sense. For example, for linear models and bounded interventions, alternative solutions have been shown to be minimax prediction optimal. We introduce the formal framework of distribution generalization that allows us to analyze the above problem in partially observed nonlinear models for both direct interventions on $X$ and interventions that occur indirectly via exogenous variables $A$. It takes into account that, in practice, minimax solutions need to be identified from data. Our framework allows us to characterize under which class of interventions the causal function is minimax optimal. We prove sufficient conditions for distribution generalization and present corresponding impossibility results. We propose a practical method, NILE, that achieves distribution generalization in a nonlinear IV setting with linear extrapolation. We prove consistency and present empirical results.

While causal models are robust in that they are prediction optimal under arbitrarily strong interventions, they may not be optimal when the interventions are bounded. We prove that the classical K-class estimator satisfies such optimality by establishing a connection between K-class estimators and anchor regression. This connection further motivates a novel estimator in instrumental variable settings that minimizes the mean squared prediction error subject to the constraint that the estimator lies in an asymptotically valid confidence region of the causal coefficient. We call this estimator PULSE (p-uncorrelated least squares estimator), relate it to work on invariance, show that it can be computed efficiently as a data-driven K-class estimator, even though the underlying optimization problem is non-convex, and prove consistency. We evaluate the estimators on real data and perform simulation experiments illustrating that PULSE suffers from less variability. There are several settings including weak instrument settings, where it outperforms other estimators.

This PhD thesis contains several contributions to the field of statistical causal modeling. Statistical causal models are statistical models embedded with causal assumptions that allow for the inference and reasoning about the behavior of stochastic systems affected by external manipulation (interventions). This thesis contributes to the research areas concerning the estimation of causal effects, causal structure learning, and distributionally robust (out-of-distribution generalizing) prediction methods. We present novel and consistent linear and non-linear causal effects estimators in instrumental variable settings that employ data-dependent mean squared prediction error regularization. Our proposed estimators show, in certain settings, mean squared error improvements compared to both canonical and state-of-the-art estimators. We show that recent research on distributionally robust prediction methods has connections to well-studied estimators from econometrics. This connection leads us to prove that general K-class estimators possess distributional robustness properties. We, furthermore, propose a general framework for distributional robustness with respect to intervention-induced distributions. In this framework, we derive sufficient conditions for the identifiability of distributionally robust prediction methods and present impossibility results that show the necessity of several of these conditions. We present a new structure learning method applicable in additive noise models with directed trees as causal graphs. We prove consistency in a vanishing identifiability setup and provide a method for testing substructure hypotheses with asymptotic family-wise error control that remains valid post-selection. Finally, we present heuristic ideas for learning summary graphs of nonlinear time-series models.

Recently, in causal discovery, invariance properties such as the moment criterion which two-stage least square estimator leverage have been exploited for causal structure learning: e.g., in cases, where the causal parameter is not identifiable, some structure of the non-zero components may be identified, and coverage guarantees are available. Subsequently, anchor regression has been proposed to trade-off invariance and predictability. The resulting estimator is shown to have optimal predictive performance under bounded shift interventions. In this paper, we show that the concepts of anchor regression and K-class estimators are closely related. Establishing this connection comes with two benefits: (1) It enables us to prove robustness properties for existing K-class estimators when considering distributional shifts. And, (2), we propose a novel estimator in instrumental variable settings by minimizing the mean squared prediction error subject to the constraint that the estimator lies in an asymptotically valid confidence region of the causal parameter. We call this estimator PULSE (p-uncorrelated least squares estimator) and show that it can be computed efficiently, even though the underlying optimization problem is non-convex. We further prove that it is consistent. We perform simulation experiments illustrating that there are several settings including weak instrument settings, where PULSE outperforms other estimators and suffers from less variability.

In this article, we describe the algorithms for causal structure learning from time series data that won the Causality 4 Climate competition at the Conference on Neural Information Processing Systems 2019 (NeurIPS). We examine how our combination of established ideas achieves competitive performance on semi-realistic and realistic time series data exhibiting common challenges in real-world Earth sciences data. In particular, we discuss a) a rationale for leveraging linear methods to identify causal links in non-linear systems, b) a simulation-backed explanation as to why large regression coefficients may predict causal links better in practice than small p-values and thus why normalising the data may sometimes hinder causal structure learning. For benchmark usage, we detail the algorithms here and provide implementations at this https URL . We propose the presented competition-proven methods for baseline benchmark comparisons to guide the development of novel algorithms for structure learning from time series.

The aim of this thesis is to find a solution to the non-parametric independence problem in separable metric spaces. Suppose we are given finite collection of samples from an i.i.d. sequence of paired random elements, where each marginal has values in some separable metric space. The non-parametric independence problem raises the question on how one can use these samples to reasonably draw inference on whether the marginal random elements are independent or not. We will try to answer this question by utilizing the so-called distance covariance functional in metric spaces developed by Russell Lyons. We show that, if the marginal spaces are so-called metric spaces of strong negative type (e.g. seperable Hilbert spaces), then the distance covariance functional becomes a direct indicator of independence. That is, one can directly determine whether the marginals are independent or not based solely on the value of this functional. As the functional formally takes the simultaneous distribution as argument, its value is not known in the posed non-parametric independence problem. Hence, we construct estimators of the distance covariance functional, and show that they exhibit asymptotic properties which can be used to construct asymptotically consistent statistical tests of independence. Finally, as the rejection thresholds of these statistical tests are non-traceable we argue that they can be reasonably bootstrapped.