Worst-case low-rank approximations

Real-world data in health, economics, and environmental sciences are often collected across heterogeneous domains (such as hospitals, regions, or time periods). In such settings, distributional shifts can make standard PCA unreliable, in that, for example, the leading principal components may explain substantially less variance in unseen domains than in the training domains. Existing approaches (such as FairPCA) have proposed to consider worst-case (rather than average) performance across multiple domains. This work develops a unified framework, called wcPCA, applies it to other objectives (resulting in the novel estimators such as norm-minPCA and norm-maxregret, which are better suited for applications with heterogeneous total variance) and analyzes their relationship. We prove that for all objectives, the estimators are worst-case optimal not only over the observed source domains but also over all target domains whose covariance lies in the convex hull of the (possibly normalized) source covariances. We establish consistency and asymptotic worst-case guarantees of empirical estimators. We extend our methodology to matrix completion, another problem that makes use of low-rank approximations, and prove approximate worst-case optimality for inductive matrix completion. Simulations and two real-world applications on ecosystem-atmosphere fluxes demonstrate marked improvements in worst-case performance, with only minor losses in average performance.

Invariance-Based Dynamic Regret Minimization

We consider stochastic non-stationary linear bandits where the linear parameter connecting contexts to the reward changes over time. Existing algorithms in this setting localize the policy by gradually discarding or down-weighting past data, effectively shrinking the time horizon over which learning can occur. However, in many settings historical data may still carry partial information about the reward model. We propose to leverage such data while adapting to changes, by assuming the reward model decomposes into stationary and non-stationary components. Based on this assumption, we introduce ISD-linUCB, an algorithm that uses past data to learn invariances in the reward model and subsequently exploits them to improve online performance. We show both theoretically and empirically that leveraging invariance reduces the problem dimensionality, yielding significant regret improvements in fast-changing environments when sufficient historical data is available.

Anti-causal domain generalization: Leveraging unlabeled data

The problem of domain generalization concerns learning predictive models that are robust to distribution shifts when deployed in new, previously unseen environments. Existing methods typically require labeled data from multiple training environments, limiting their applicability when labeled data are scarce. In this work, we study domain generalization in an anti-causal setting, where the outcome causes the observed covariates. Under this structure, environment perturbations that affect the covariates do not propagate to the outcome, which motivates regularizing the model's sensitivity to these perturbations. Crucially, estimating these perturbation directions does not require labels, enabling us to leverage unlabeled data from multiple environments. We propose two methods that penalize the model's sensitivity to variations in the mean and covariance of the covariates across environments, respectively, and prove that these methods have worst-case optimality guarantees under certain classes of environments. Finally, we demonstrate the empirical performance of our approach on a controlled physical system and a physiological signal dataset.

Many Experiments, Few Repetitions, Unpaired Data, and Sparse Effects: Is Causal Inference Possible?

We study the problem of estimating causal effects under hidden confounding in the following unpaired data setting: we observe some covariates $X$ and an outcome $Y$ under different experimental conditions (environments) but do not observe them jointly; we either observe $X$ or $Y$. Under appropriate regularity conditions, the problem can be cast as an instrumental variable (IV) regression with the environment acting as a (possibly high-dimensional) instrument. When there are many environments but only a few observations per environment, standard two-sample IV estimators fail to be consistent. We propose a GMM-type estimator based on cross-fold sample splitting of the instrument-covariate sample and prove that it is consistent as the number of environments grows but the sample size per environment remains constant. We further extend the method to sparse causal effects via $\ell_1$-regularized estimation and post-selection refitting.

Maximum Risk Minimization with Random Forests

We consider a regression setting where observations are collected in different environments modeled by different data distributions. The field of out-of-distribution (OOD) generalization aims to design methods that generalize better to test environments whose distributions differ from those observed during training. One line of such works has proposed to minimize the maximum risk across environments, a principle that we refer to as MaxRM (Maximum Risk Minimization). In this work, we introduce variants of random forests based on the principle of MaxRM. We provide computationally efficient algorithms and prove statistical consistency for our primary method. Our proposed method can be used with each of the following three risks: the mean squared error, the negative reward (which relates to the explained variance), and the regret (which quantifies the excess risk relative to the best predictor). For MaxRM with regret as the risk, we prove a novel out-of-sample guarantee over unseen test distributions. Finally, we evaluate the proposed methods on both simulated and real-world data.

Transferring Causal Effects using Proxies

We consider the problem of estimating a causal effect in a multi-domain setting. The causal effect of interest is confounded by an unobserved confounder and can change between the different domains. We assume that we have access to a proxy of the hidden confounder and that all variables are discrete or categorical. We propose methodology to estimate the causal effect in the target domain, where we assume to observe only the proxy variable. Under these conditions, we prove identifiability (even when treatment and response variables are continuous). We introduce two estimation techniques, prove consistency, and derive confidence intervals. The theoretical results are supported by simulation studies and a real-world example studying the causal effect of website rankings on consumer choices.

Representation Learning for Distributional Perturbation Extrapolation

We consider the problem of modelling the effects of unseen perturbations such as gene knockdowns or drug combinations on low-level measurements such as RNA sequencing data. Specifically, given data collected under some perturbations, we aim to predict the distribution of measurements for new perturbations. To address this challenging extrapolation task, we posit that perturbations act additively in a suitable, unknown embedding space. More precisely, we formulate the generative process underlying the observed data as a latent variable model, in which perturbations amount to mean shifts in latent space and can be combined additively. Unlike previous work, we prove that, given sufficiently diverse training perturbations, the representation and perturbation effects are identifiable up to affine transformation, and use this to characterize the class of unseen perturbations for which we obtain extrapolation guarantees. To estimate the model from data, we propose a new method, the perturbation distribution autoencoder (PDAE), which is trained by maximising the distributional similarity between true and predicted perturbation distributions. The trained model can then be used to predict previously unseen perturbation distributions. Empirical evidence suggests that PDAE compares favourably to existing methods and baselines at predicting the effects of unseen perturbations.

DecoR: Deconfounding Time Series with Robust Regression

Causal inference on time series data is a challenging problem, especially in the presence of unobserved confounders. This work focuses on estimating the causal effect between two time series, which are confounded by a third, unobserved time series. Assuming spectral sparsity of the confounder, we show how in the frequency domain this problem can be framed as an adversarial outlier problem. We introduce Deconfounding by Robust regression (DecoR), a novel approach that estimates the causal effect using robust linear regression in the frequency domain. Considering two different robust regression techniques, we first improve existing bounds on the estimation error for such techniques. Crucially, our results do not require distributional assumptions on the covariates. We can therefore use them in time series settings. Applying these results to DecoR, we prove, under suitable assumptions, upper bounds for the estimation error of DecoR that imply consistency. We show DecoR's effectiveness through experiments on synthetic data. Our experiments furthermore suggest that our method is robust with respect to model misspecification.

The Causal Chambers: Real Physical Systems as a Testbed for AI Methodology

In some fields of AI, machine learning and statistics, the validation of new methods and algorithms is often hindered by the scarcity of suitable real-world datasets. Researchers must often turn to simulated data, which yields limited information about the applicability of the proposed methods to real problems. As a step forward, we have constructed two devices that allow us to quickly and inexpensively produce large datasets from non-trivial but well-understood physical systems. The devices, which we call causal chambers, are computer-controlled laboratories that allow us to manipulate and measure an array of variables from these physical systems, providing a rich testbed for algorithms from a variety of fields. We illustrate potential applications through a series of case studies in fields such as causal discovery, out-of-distribution generalization, change point detection, independent component analysis, and symbolic regression. For applications to causal inference, the chambers allow us to carefully perform interventions. We also provide and empirically validate a causal model of each chamber, which can be used as ground truth for different tasks. All hardware and software is made open source, and the datasets are publicly available at causalchamber.org or through the Python package causalchamber.

Invariant Subspace Decomposition

We consider the task of predicting a response Y from a set of covariates X in settings where the conditional distribution of Y given X changes over time. For this to be feasible, assumptions on how the conditional distribution changes over time are required. Existing approaches assume, for example, that changes occur smoothly over time so that short-term prediction using only the recent past becomes feasible. In this work, we propose a novel invariance-based framework for linear conditionals, called Invariant Subspace Decomposition (ISD), that splits the conditional distribution into a time-invariant and a residual time-dependent component. As we show, this decomposition can be utilized both for zero-shot and time-adaptation prediction tasks, that is, settings where either no or a small amount of training data is available at the time points we want to predict Y at, respectively. We propose a practical estimation procedure, which automatically infers the decomposition using tools from approximate joint matrix diagonalization. Furthermore, we provide finite sample guarantees for the proposed estimator and demonstrate empirically that it indeed improves on approaches that do not use the additional invariant structure.