Wasserstein distributionally robust estimators have emerged as powerful models for prediction and decision-making under uncertainty. These estimators provide attractive generalization guarantees: the robust objective obtained from the training distribution is an exact upper bound on the true risk with high probability. However, existing guarantees either suffer from the curse of dimensionality, are restricted to specific settings, or lead to spurious error terms. In this paper, we show that these generalization guarantees actually hold on general classes of models, do not suffer from the curse of dimensionality, and can even cover distribution shifts at testing. We also prove that these results carry over to the newly-introduced regularized versions of Wasserstein distributionally robust problems.
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In recent decades, a number of ways of dealing with causality in practice, such as propensity score matching, the PC algorithm and invariant causal prediction, have been introduced. Besides its interpretational appeal, the causal model provides the best out-of-sample prediction guarantees. In this paper, we study the identification of causal-like models from in-sample data that provide out-of-sample risk guarantees when predicting a target variable from a set of covariates. Whereas ordinary least squares provides the best in-sample risk with limited out-of-sample guarantees, causal models have the best out-of-sample guarantees but achieve an inferior in-sample risk. By defining a trade-off of these properties, we introduce $\textit{causal regularization}$. As the regularization is increased, it provides estimators whose risk is more stable across sub-samples at the cost of increasing their overall in-sample risk. The increased risk stability is shown to lead to out-of-sample risk guarantees. We provide finite sample risk bounds for all models and prove the adequacy of cross-validation for attaining these bounds.
The Shapley value is arguably the most popular approach for assigning a meaningful contribution value to players in a cooperative game, which has recently been used intensively in explainable artificial intelligence. The meaningfulness is due to axiomatic properties that only the Shapley value satisfies, which, however, comes at the expense of an exact computation growing exponentially with the number of agents. Accordingly, a number of works are devoted to the efficient approximation of the Shapley values, most of them revolve around the notion of an agent's marginal contribution. In this paper, we propose with SVARM and Stratified SVARM two parameter-free and domain-independent approximation algorithms based on a representation of the Shapley value detached from the notion of marginal contributions. We prove unmatched theoretical guarantees regarding their approximation quality and provide empirical results including synthetic games as well as common explainability use cases comparing ourselves with state-of-the-art methods.
Analysis of high-dimensional data, where the number of covariates is larger than the sample size, is a topic of current interest. In such settings, an important goal is to estimate the signal level $\tau^2$ and noise level $\sigma^2$, i.e., to quantify how much variation in the response variable can be explained by the covariates, versus how much of the variation is left unexplained. This thesis considers the estimation of these quantities in a semi-supervised setting, where for many observations only the vector of covariates $X$ is given with no responses $Y$. Our main research question is: how can one use the unlabeled data to better estimate $\tau^2$ and $\sigma^2$? We consider two frameworks: a linear regression model and a linear projection model in which linearity is not assumed. In the first framework, while linear regression is used, no sparsity assumptions on the coefficients are made. In the second framework, the linearity assumption is also relaxed and we aim to estimate the signal and noise levels defined by the linear projection. We first propose a naive estimator which is unbiased and consistent, under some assumptions, in both frameworks. We then show how the naive estimator can be improved by using zero-estimators, where a zero-estimator is a statistic arising from the unlabeled data, whose expected value is zero. In the first framework, we calculate the optimal zero-estimator improvement and discuss ways to approximate the optimal improvement. In the second framework, such optimality does no longer hold and we suggest two zero-estimators that improve the naive estimator although not necessarily optimally. Furthermore, we show that our approach reduces the variance for general initial estimators and we present an algorithm that potentially improves any initial estimator. Lastly, we consider four datasets and study the performance of our suggested methods.
Obtaining rigorous statistical guarantees for generalization under distribution shift remains an open and active research area. We study a setting we call combinatorial distribution shift, where (a) under the test- and training-distributions, the labels $z$ are determined by pairs of features $(x,y)$, (b) the training distribution has coverage of certain marginal distributions over $x$ and $y$ separately, but (c) the test distribution involves examples from a product distribution over $(x,y)$ that is {not} covered by the training distribution. Focusing on the special case where the labels are given by bilinear embeddings into a Hilbert space $H$: $\mathbb{E}[z \mid x,y ]=\langle f_{\star}(x),g_{\star}(y)\rangle_{{H}}$, we aim to extrapolate to a test distribution domain that is $not$ covered in training, i.e., achieving bilinear combinatorial extrapolation. Our setting generalizes a special case of matrix completion from missing-not-at-random data, for which all existing results require the ground-truth matrices to be either exactly low-rank, or to exhibit very sharp spectral cutoffs. In this work, we develop a series of theoretical results that enable bilinear combinatorial extrapolation under gradual spectral decay as observed in typical high-dimensional data, including novel algorithms, generalization guarantees, and linear-algebraic results. A key tool is a novel perturbation bound for the rank-$k$ singular value decomposition approximations between two matrices that depends on the relative spectral gap rather than the absolute spectral gap, a result that may be of broader independent interest.
We study the problem of Out-of-Distribution (OOD) detection, that is, detecting whether a learning algorithm's output can be trusted at inference time. While a number of tests for OOD detection have been proposed in prior work, a formal framework for studying this problem is lacking. We propose a definition for the notion of OOD that includes both the input distribution and the learning algorithm, which provides insights for the construction of powerful tests for OOD detection. We propose a multiple hypothesis testing inspired procedure to systematically combine any number of different statistics from the learning algorithm using conformal p-values. We further provide strong guarantees on the probability of incorrectly classifying an in-distribution sample as OOD. In our experiments, we find that threshold-based tests proposed in prior work perform well in specific settings, but not uniformly well across different types of OOD instances. In contrast, our proposed method that combines multiple statistics performs uniformly well across different datasets and neural networks.
Causal disentanglement aims to uncover a representation of data using latent variables that are interrelated through a causal model. Such a representation is identifiable if the latent model that explains the data is unique. In this paper, we focus on the scenario where unpaired observational and interventional data are available, with each intervention changing the mechanism of a latent variable. When the causal variables are fully observed, statistically consistent algorithms have been developed to identify the causal model under faithfulness assumptions. We here show that identifiability can still be achieved with unobserved causal variables, given a generalized notion of faithfulness. Our results guarantee that we can recover the latent causal model up to an equivalence class and predict the effect of unseen combinations of interventions, in the limit of infinite data. We implement our causal disentanglement framework by developing an autoencoding variational Bayes algorithm and apply it to the problem of predicting combinatorial perturbation effects in genomics.
Distribution data refers to a data set where each sample is represented as a probability distribution, a subject area receiving burgeoning interest in the field of statistics. Although several studies have developed distribution-to-distribution regression models for univariate variables, the multivariate scenario remains under-explored due to technical complexities. In this study, we introduce models for regression from one Gaussian distribution to another, utilizing the Wasserstein metric. These models are constructed using the geometry of the Wasserstein space, which enables the transformation of Gaussian distributions into components of a linear matrix space. Owing to their linear regression frameworks, our models are intuitively understandable, and their implementation is simplified because of the optimal transport problem's analytical solution between Gaussian distributions. We also explore a generalization of our models to encompass non-Gaussian scenarios. We establish the convergence rates of in-sample prediction errors for the empirical risk minimizations in our models. In comparative simulation experiments, our models demonstrate superior performance over a simpler alternative method that transforms Gaussian distributions into matrices. We present an application of our methodology using weather data for illustration purposes.
This paper investigates the multiple testing problem for high-dimensional sparse binary sequences motivated by the crowdsourcing problem in machine learning. We adopt an empirical Bayes approach to estimate possibly sparse sequences with Bernoulli noises. We found a surprising result that the hard thresholding rule deduced from the spike-and-slab posterior is not optimal, even using a uniform prior. Two approaches are then proposed to calibrate the posterior for achieving the optimal signal detection boundary, and two multiple testing procedures are constructed based on these calibrated posteriors. Sharp frequentist theoretical results for these procedures are obtained, showing both can effectively control the false discovery rate uniformly for signals under a sparsity assumption. Numerical experiments are conducted to validate our theory in finite samples.
The dominating NLP paradigm of training a strong neural predictor to perform one task on a specific dataset has led to state-of-the-art performance in a variety of applications (eg. sentiment classification, span-prediction based question answering or machine translation). However, it builds upon the assumption that the data distribution is stationary, ie. that the data is sampled from a fixed distribution both at training and test time. This way of training is inconsistent with how we as humans are able to learn from and operate within a constantly changing stream of information. Moreover, it is ill-adapted to real-world use cases where the data distribution is expected to shift over the course of a model's lifetime. The first goal of this thesis is to characterize the different forms this shift can take in the context of natural language processing, and propose benchmarks and evaluation metrics to measure its effect on current deep learning architectures. We then proceed to take steps to mitigate the effect of distributional shift on NLP models. To this end, we develop methods based on parametric reformulations of the distributionally robust optimization framework. Empirically, we demonstrate that these approaches yield more robust models as demonstrated on a selection of realistic problems. In the third and final part of this thesis, we explore ways of efficiently adapting existing models to new domains or tasks. Our contribution to this topic takes inspiration from information geometry to derive a new gradient update rule which alleviate catastrophic forgetting issues during adaptation.
Generative Adversarial Networks (GANs) can produce images of surprising complexity and realism, but are generally modeled to sample from a single latent source ignoring the explicit spatial interaction between multiple entities that could be present in a scene. Capturing such complex interactions between different objects in the world, including their relative scaling, spatial layout, occlusion, or viewpoint transformation is a challenging problem. In this work, we propose to model object composition in a GAN framework as a self-consistent composition-decomposition network. Our model is conditioned on the object images from their marginal distributions to generate a realistic image from their joint distribution by explicitly learning the possible interactions. We evaluate our model through qualitative experiments and user evaluations in both the scenarios when either paired or unpaired examples for the individual object images and the joint scenes are given during training. Our results reveal that the learned model captures potential interactions between the two object domains given as input to output new instances of composed scene at test time in a reasonable fashion.
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