From Dependence to Causation

Machine learning is the science of discovering statistical dependencies in data, and the use of those dependencies to perform predictions. During the last decade, machine learning has made spectacular progress, surpassing human performance in complex tasks such as object recognition, car driving, and computer gaming. However, the central role of prediction in machine learning avoids progress towards general-purpose artificial intelligence. As one way forward, we argue that causal inference is a fundamental component of human intelligence, yet ignored by learning algorithms. Causal inference is the problem of uncovering the cause-effect relationships between the variables of a data generating system. Causal structures provide understanding about how these systems behave under changing, unseen environments. In turn, knowledge about these causal dynamics allows to answer "what if" questions, describing the potential responses of the system under hypothetical manipulations and interventions. Thus, understanding cause and effect is one step from machine learning towards machine reasoning and machine intelligence. But, currently available causal inference algorithms operate in specific regimes, and rely on assumptions that are difficult to verify in practice. This thesis advances the art of causal inference in three different ways. First, we develop a framework for the study of statistical dependence based on copulas and random features. Second, we build on this framework to interpret the problem of causal inference as the task of distribution classification, yielding a family of novel causal inference algorithms. Third, we discover causal structures in convolutional neural network features using our algorithms. The algorithms presented in this thesis are scalable, exhibit strong theoretical guarantees, and achieve state-of-the-art performance in a variety of real-world benchmarks.

No Regret Bound for Extreme Bandits

Algorithms for hyperparameter optimization abound, all of which work well under different and often unverifiable assumptions. Motivated by the general challenge of sequentially choosing which algorithm to use, we study the more specific task of choosing among distributions to use for random hyperparameter optimization. This work is naturally framed in the extreme bandit setting, which deals with sequentially choosing which distribution from a collection to sample in order to minimize (maximize) the single best cost (reward). Whereas the distributions in the standard bandit setting are primarily characterized by their means, a number of subtleties arise when we care about the minimal cost as opposed to the average cost. For example, there may not be a well-defined "best" distribution as there is in the standard bandit setting. The best distribution depends on the rewards that have been obtained and on the remaining time horizon. Whereas in the standard bandit setting, it is sensible to compare policies with an oracle which plays the single best arm, in the extreme bandit setting, there are multiple sensible oracle models. We define a sensible notion of "extreme regret" in the extreme bandit setting, which parallels the concept of regret in the standard bandit setting. We then prove that no policy can asymptotically achieve no extreme regret.

Unifying distillation and privileged information

Distillation (Hinton et al., 2015) and privileged information (Vapnik & Izmailov, 2015) are two techniques that enable machines to learn from other machines. This paper unifies these two techniques into generalized distillation, a framework to learn from multiple machines and data representations. We provide theoretical and causal insight about the inner workings of generalized distillation, extend it to unsupervised, semisupervised and multitask learning scenarios, and illustrate its efficacy on a variety of numerical simulations on both synthetic and real-world data.

Non-linear Causal Inference using Gaussianity Measures

We provide theoretical and empirical evidence for a type of asymmetry between causes and effects that is present when these are related via linear models contaminated with additive non-Gaussian noise. Assuming that the causes and the effects have the same distribution, we show that the distribution of the residuals of a linear fit in the anti-causal direction is closer to a Gaussian than the distribution of the residuals in the causal direction. This Gaussianization effect is characterized by reduction of the magnitude of the high-order cumulants and by an increment of the differential entropy of the residuals. The problem of non-linear causal inference is addressed by performing an embedding in an expanded feature space, in which the relation between causes and effects can be assumed to be linear. The effectiveness of a method to discriminate between causes and effects based on this type of asymmetry is illustrated in a variety of experiments using different measures of Gaussianity. The proposed method is shown to be competitive with state-of-the-art techniques for causal inference.

Minimax Lower Bounds for Realizable Transductive Classification

Transductive learning considers a training set of $m$ labeled samples and a test set of $u$ unlabeled samples, with the goal of best labeling that particular test set. Conversely, inductive learning considers a training set of $m$ labeled samples drawn iid from $P(X,Y)$, with the goal of best labeling any future samples drawn iid from $P(X)$. This comparison suggests that transduction is a much easier type of inference than induction, but is this really the case? This paper provides a negative answer to this question, by proving the first known minimax lower bounds for transductive, realizable, binary classification. Our lower bounds show that $m$ should be at least $\Omega(d/\epsilon + \log(1/\delta)/\epsilon)$ when $\epsilon$-learning a concept class $\mathcal{H}$ of finite VC-dimension $d<\infty$ with confidence $1-\delta$, for all $m \leq u$. This result draws three important conclusions. First, general transduction is as hard as general induction, since both problems have $\Omega(d/m)$ minimax values. Second, the use of unlabeled data does not help general transduction, since supervised learning algorithms such as ERM and (Hanneke, 2015) match our transductive lower bounds while ignoring the unlabeled test set. Third, our transductive lower bounds imply lower bounds for semi-supervised learning, which add to the important discussion about the role of unlabeled data in machine learning.

Towards a Learning Theory of Cause-Effect Inference

We pose causal inference as the problem of learning to classify probability distributions. In particular, we assume access to a collection $\{(S_i,l_i)\}_{i=1}^n$, where each $S_i$ is a sample drawn from the probability distribution of $X_i \times Y_i$, and $l_i$ is a binary label indicating whether "$X_i \to Y_i$" or "$X_i \leftarrow Y_i$". Given these data, we build a causal inference rule in two steps. First, we featurize each $S_i$ using the kernel mean embedding associated with some characteristic kernel. Second, we train a binary classifier on such embeddings to distinguish between causal directions. We present generalization bounds showing the statistical consistency and learning rates of the proposed approach, and provide a simple implementation that achieves state-of-the-art cause-effect inference. Furthermore, we extend our ideas to infer causal relationships between more than two variables.

The Randomized Causation Coefficient

We are interested in learning causal relationships between pairs of random variables, purely from observational data. To effectively address this task, the state-of-the-art relies on strong assumptions regarding the mechanisms mapping causes to effects, such as invertibility or the existence of additive noise, which only hold in limited situations. On the contrary, this short paper proposes to learn how to perform causal inference directly from data, and without the need of feature engineering. In particular, we pose causality as a kernel mean embedding classification problem, where inputs are samples from arbitrary probability distributions on pairs of random variables, and labels are types of causal relationships. We validate the performance of our method on synthetic and real-world data against the state-of-the-art. Moreover, we submitted our algorithm to the ChaLearn's "Fast Causation Coefficient Challenge" competition, with which we won the fastest code prize and ranked third in the overall leaderboard.

Randomized Nonlinear Component Analysis

Classical methods such as Principal Component Analysis (PCA) and Canonical Correlation Analysis (CCA) are ubiquitous in statistics. However, these techniques are only able to reveal linear relationships in data. Although nonlinear variants of PCA and CCA have been proposed, these are computationally prohibitive in the large scale. In a separate strand of recent research, randomized methods have been proposed to construct features that help reveal nonlinear patterns in data. For basic tasks such as regression or classification, random features exhibit little or no loss in performance, while achieving drastic savings in computational requirements. In this paper we leverage randomness to design scalable new variants of nonlinear PCA and CCA; our ideas extend to key multivariate analysis tools such as spectral clustering or LDA. We demonstrate our algorithms through experiments on real-world data, on which we compare against the state-of-the-art. A simple R implementation of the presented algorithms is provided.

The Randomized Dependence Coefficient

We introduce the Randomized Dependence Coefficient (RDC), a measure of non-linear dependence between random variables of arbitrary dimension based on the Hirschfeld-Gebelein-R\'enyi Maximum Correlation Coefficient. RDC is defined in terms of correlation of random non-linear copula projections; it is invariant with respect to marginal distribution transformations, has low computational cost and is easy to implement: just five lines of R code, included at the end of the paper.

Gaussian Process Vine Copulas for Multivariate Dependence

Copulas allow to learn marginal distributions separately from the multivariate dependence structure (copula) that links them together into a density function. Vine factorizations ease the learning of high-dimensional copulas by constructing a hierarchy of conditional bivariate copulas. However, to simplify inference, it is common to assume that each of these conditional bivariate copulas is independent from its conditioning variables. In this paper, we relax this assumption by discovering the latent functions that specify the shape of a conditional copula given its conditioning variables We learn these functions by following a Bayesian approach based on sparse Gaussian processes with expectation propagation for scalable, approximate inference. Experiments on real-world datasets show that, when modeling all conditional dependencies, we obtain better estimates of the underlying copula of the data.