This paper provides estimation and inference methods for a conditional average treatment effects (CATE) characterized by a high-dimensional parameter in both homogeneous cross-sectional and unit-heterogeneous dynamic panel data settings. In our leading example, we model CATE by interacting the base treatment variable with explanatory variables. The first step of our procedure is orthogonalization, where we partial out the controls and unit effects from the outcome and the base treatment and take the cross-fitted residuals. This step uses a novel generic cross-fitting method we design for weakly dependent time series and panel data. This method "leaves out the neighbors" when fitting nuisance components, and we theoretically power it by using Strassen's coupling. As a result, we can rely on any modern machine learning method in the first step, provided it learns the residuals well enough. Second, we construct an orthogonal (or residual) learner of CATE -- the Lasso CATE -- that regresses the outcome residual on the vector of interactions of the residualized treatment with explanatory variables. If the complexity of CATE function is simpler than that of the first-stage regression, the orthogonal learner converges faster than the single-stage regression-based learner. Third, we perform simultaneous inference on parameters of the CATE function using debiasing. We also can use ordinary least squares in the last two steps when CATE is low-dimensional. In heterogeneous panel data settings, we model the unobserved unit heterogeneity as a weakly sparse deviation from Mundlak (1978)'s model of correlated unit effects as a linear function of time-invariant covariates and make use of L1-penalization to estimate these models. We demonstrate our methods by estimating price elasticities of groceries based on scanner data. We note that our results are new even for the cross-sectional (i.i.d) case.
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Explainable AI (XAI) is a rapidly evolving field that aims to improve transparency and trustworthiness of AI systems to humans. One of the unsolved challenges in XAI is estimating the performance of these explanation methods for neural networks, which has resulted in numerous competing metrics with little to no indication of which one is to be preferred. In this paper, to identify the most reliable evaluation method in a given explainability context, we propose MetaQuantus -- a simple yet powerful framework that meta-evaluates two complementary performance characteristics of an evaluation method: its resilience to noise and reactivity to randomness. We demonstrate the effectiveness of our framework through a series of experiments, targeting various open questions in XAI, such as the selection of explanation methods and optimisation of hyperparameters of a given metric. We release our work under an open-source license to serve as a development tool for XAI researchers and Machine Learning (ML) practitioners to verify and benchmark newly constructed metrics (i.e., ``estimators'' of explanation quality). With this work, we provide clear and theoretically-grounded guidance for building reliable evaluation methods, thus facilitating standardisation and reproducibility in the field of XAI.
With an increased focus on incorporating fairness in machine learning models, it becomes imperative not only to assess and mitigate bias at each stage of the machine learning pipeline but also to understand the downstream impacts of bias across stages. Here we consider a general, but realistic, scenario in which a predictive model is learned from (potentially biased) training data, and model predictions are assessed post-hoc for fairness by some auditing method. We provide a theoretical analysis of how a specific form of data bias, differential sampling bias, propagates from the data stage to the prediction stage. Unlike prior work, we evaluate the downstream impacts of data biases quantitatively rather than qualitatively and prove theoretical guarantees for detection. Under reasonable assumptions, we quantify how the amount of bias in the model predictions varies as a function of the amount of differential sampling bias in the data, and at what point this bias becomes provably detectable by the auditor. Through experiments on two criminal justice datasets -- the well-known COMPAS dataset and historical data from NYPD's stop and frisk policy -- we demonstrate that the theoretical results hold in practice even when our assumptions are relaxed.
We develop a novel full-Bayesian approach for multiple correlated precision matrices, called multiple Graphical Horseshoe (mGHS). The proposed approach relies on a novel multivariate shrinkage prior based on the Horseshoe prior that borrows strength and shares sparsity patterns across groups, improving posterior edge selection when the precision matrices are similar. On the other hand, there is no loss of performance when the groups are independent. Moreover, mGHS provides a similarity matrix estimate, useful for understanding network similarities across groups. We implement an efficient Metropolis-within-Gibbs for posterior inference; specifically, local variance parameters are updated via a novel and efficient modified rejection sampling algorithm that samples from a three-parameter Gamma distribution. The method scales well with respect to the number of variables and provides one of the fastest full-Bayesian approaches for the estimation of multiple precision matrices. Finally, edge selection is performed with a novel approach based on model cuts. We empirically demonstrate that mGHS outperforms competing approaches through both simulation studies and an application to a bike-sharing dataset.
Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a promising class of models for graph-structured data in semi-supervised learning and beyond. Their competitive performance is often attributed to a proper capturing of the graph inductive bias. In this work, we introduce this inductive bias into GPs to improve their predictive performance for graph-structured data. We show that a prominent example of GNNs, the graph convolutional network, is equivalent to some GP when its layers are infinitely wide; and we analyze the kernel universality and the limiting behavior in depth. We further present a programmable procedure to compose covariance kernels inspired by this equivalence and derive example kernels corresponding to several interesting members of the GNN family. We also propose a computationally efficient approximation of the covariance matrix for scalable posterior inference with large-scale data. We demonstrate that these graph-based kernels lead to competitive classification and regression performance, as well as advantages in computation time, compared with the respective GNNs.
The multivariate adaptive regression spline (MARS) is one of the popular estimation methods for nonparametric multivariate regressions. However, as MARS is based on marginal splines, to incorporate interactions of covariates, products of the marginal splines must be used, which leads to an unmanageable number of basis functions when the order of interaction is high and results in low estimation efficiency. In this paper, we improve the performance of MARS by using linear combinations of the covariates which achieve sufficient dimension reduction. The special basis functions of MARS facilitate calculation of gradients of the regression function, and estimation of the linear combinations is obtained via eigen-analysis of the outer-product of the gradients. Under some technical conditions, the asymptotic theory is established for the proposed estimation method. Numerical studies including both simulation and empirical applications show its effectiveness in dimension reduction and improvement over MARS and other commonly-used nonparametric methods in regression estimation and prediction.
Instrumental variable (IV) methods are used to estimate causal effects in settings with unobserved confounding, where we cannot directly experiment on the treatment variable. Instruments are variables which only affect the outcome indirectly via the treatment variable(s). Most IV applications focus on low-dimensional treatments and crucially require at least as many instruments as treatments. This assumption is restrictive: in the natural sciences we often seek to infer causal effects of high-dimensional treatments (e.g., the effect of gene expressions or microbiota on health and disease), but can only run few experiments with a limited number of instruments (e.g., drugs or antibiotics). In such underspecified problems, the full treatment effect is not identifiable in a single experiment even in the linear case. We show that one can still reliably recover the projection of the treatment effect onto the instrumented subspace and develop techniques to consistently combine such partial estimates from different sets of instruments. We then leverage our combined estimators in an algorithm that iteratively proposes the most informative instruments at each round of experimentation to maximize the overall information about the full causal effect.
Estimation of heterogeneous causal effects - i.e., how effects of policies and treatments vary across subjects - is a fundamental task in causal inference, playing a crucial role in optimal treatment allocation, generalizability, subgroup effects, and more. Many flexible methods for estimating conditional average treatment effects (CATEs) have been proposed in recent years, but questions surrounding optimality have remained largely unanswered. In particular, a minimax theory of optimality has yet to be developed, with the minimax rate of convergence and construction of rate-optimal estimators remaining open problems. In this paper we derive the minimax rate for CATE estimation, in a nonparametric model where distributional components are Holder-smooth, and present a new local polynomial estimator, giving high-level conditions under which it is minimax optimal. More specifically, our minimax lower bound is derived via a localized version of the method of fuzzy hypotheses, combining lower bound constructions for nonparametric regression and functional estimation. Our proposed estimator can be viewed as a local polynomial R-Learner, based on a localized modification of higher-order influence function methods; it is shown to be minimax optimal under a condition on how accurately the covariate distribution is estimated. The minimax rate we find exhibits several interesting features, including a non-standard elbow phenomenon and an unusual interpolation between nonparametric regression and functional estimation rates. The latter quantifies how the CATE, as an estimand, can be viewed as a regression/functional hybrid. We conclude with some discussion of a few remaining open problems.
This paper proposes a flexible framework for inferring large-scale time-varying and time-lagged correlation networks from multivariate or high-dimensional non-stationary time series with piecewise smooth trends. Built on a novel and unified multiple-testing procedure of time-lagged cross-correlation functions with a fixed or diverging number of lags, our method can accurately disclose flexible time-varying network structures associated with complex functional structures at all time points. We broaden the applicability of our method to the structure breaks by developing difference-based nonparametric estimators of cross-correlations, achieve accurate family-wise error control via a bootstrap-assisted procedure adaptive to the complex temporal dynamics, and enhance the probability of recovering the time-varying network structures using a new uniform variance reduction technique. We prove the asymptotic validity of the proposed method and demonstrate its effectiveness in finite samples through simulation studies and empirical applications.
Out-of-sample prediction is the acid test of predictive models, yet an independent test dataset is often not available for assessment of the prediction error. For this reason, out-of-sample performance is commonly estimated using data splitting algorithms such as cross-validation or the bootstrap. For quantitative outcomes, the ratio of variance explained to total variance can be summarized by the coefficient of determination or in-sample $R^2$, which is easy to interpret and to compare across different outcome variables. As opposed to the in-sample $R^2$, the out-of-sample $R^2$ has not been well defined and the variability on the out-of-sample $\hat{R}^2$ has been largely ignored. Usually only its point estimate is reported, hampering formal comparison of predictability of different outcome variables. Here we explicitly define the out-of-sample $R^2$ as a comparison of two predictive models, provide an unbiased estimator and exploit recent theoretical advances on uncertainty of data splitting estimates to provide a standard error for the $\hat{R}^2$. The performance of the estimators for the $R^2$ and its standard error are investigated in a simulation study. We demonstrate our new method by constructing confidence intervals and comparing models for prediction of quantitative $\text{Brassica napus}$ and $\text{Zea mays}$ phenotypes based on gene expression data.
Analyzing observational data from multiple sources can be useful for increasing statistical power to detect a treatment effect; however, practical constraints such as privacy considerations may restrict individual-level information sharing across data sets. This paper develops federated methods that only utilize summary-level information from heterogeneous data sets. Our federated methods provide doubly-robust point estimates of treatment effects as well as variance estimates. We derive the asymptotic distributions of our federated estimators, which are shown to be asymptotically equivalent to the corresponding estimators from the combined, individual-level data. We show that to achieve these properties, federated methods should be adjusted based on conditions such as whether models are correctly specified and stable across heterogeneous data sets.
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