Liyuan Xu

Liyuan Xu, Arthur Gretton

We consider the estimation of average and counterfactual treatment effects, under two settings: back-door adjustment and front-door adjustment. The goal in both cases is to recover the treatment effect without having an access to a hidden confounder. This objective is attained by first estimating the conditional mean of the desired outcome variable given relevant covariates (the "first stage" regression), and then taking the (conditional) expectation of this function as a "second stage" procedure. We propose to compute these conditional expectations directly using a regression function to the learned input features of the first stage, thus avoiding the need for sampling or density estimation. All functions and features (and in particular, the output features in the second stage) are neural networks learned adaptively from data, with the sole requirement that the final layer of the first stage should be linear. The proposed method is shown to converge to the true causal parameter, and outperforms the recent state-of-the-art methods on challenging causal benchmarks, including settings involving high-dimensional image data.

Liyuan Xu, Arthur Gretton

We consider the problem of causal effect estimation with an unobserved confounder, where we observe a single proxy variable that is associated with the confounder. Although it has been shown that the recovery of an average causal effect is impossible in general from a single proxy variable, we show that causal recovery is possible if the outcome is generated deterministically. This generalizes existing work on causal methods with a single proxy variable to the continuous treatment setting. We propose two kernel-based methods for this setting: the first based on the two-stage regression approach, and the second based on a maximum moment restriction approach. We prove that both approaches can consistently estimate the causal effect, and we empirically demonstrate that we can successfully recover the causal effect on challenging synthetic benchmarks.

Bariscan Bozkurt, Houssam Zenati, Dimitri Meunier et al.

We study the problem of causal function estimation in the Proxy Causal Learning (PCL) framework, where confounders are not observed but proxies for the confounders are available. Two main approaches have been proposed: outcome bridge-based and treatment bridge-based methods. In this work, we propose two kernel-based doubly robust estimators that combine the strengths of both approaches, and naturally handle continuous and high-dimensional variables. Our identification strategy builds on a recent density ratio-free method for treatment bridge-based PCL; furthermore, in contrast to previous approaches, it does not require indicator functions or kernel smoothing over the treatment variable. These properties make it especially well-suited for continuous or high-dimensional treatments. By using kernel mean embeddings, we propose the first density-ratio free doubly robust estimators for proxy causal learning, which have closed form solutions and strong uniform consistency guarantees. Our estimators outperform existing methods on PCL benchmarks, including a prior doubly robust method that requires both kernel smoothing and density ratio estimation.

Liyuan Xu, Bijan Mazaheri

Previous work on causal inference has primarily focused on averages and conditional averages of treatment effects, with significantly less attention on variability and uncertainty in individual treatment responses. In this paper, we introduce the variance of the treatment effect (VTE) and conditional variance of treatment effect (CVTE) as the natural measure of aleatoric uncertainty inherent in treatment responses, and we demonstrate that these quantities are identifiable from observed data under mild assumptions, even in the presence of unobserved confounders. We further propose nonparametric kernel-based estimators for VTE and CVTE, and our theoretical analysis establishes their convergence. We also test the performance of our method through extensive empirical experiments on both synthetic and semi-simulated datasets, where it demonstrates superior or comparable performance to naive baselines.

Yutian Chen, Liyuan Xu, Caglar Gulcehre et al.

We show that the popular reinforcement learning (RL) strategy of estimating the state-action value (Q-function) by minimizing the mean squared Bellman error leads to a regression problem with confounding, the inputs and output noise being correlated. Hence, direct minimization of the Bellman error can result in significantly biased Q-function estimates. We explain why fixing the target Q-network in Deep Q-Networks and Fitted Q Evaluation provides a way of overcoming this confounding, thus shedding new light on this popular but not well understood trick in the deep RL literature. An alternative approach to address confounding is to leverage techniques developed in the causality literature, notably instrumental variables (IV). We bring together here the literature on IV and RL by investigating whether IV approaches can lead to improved Q-function estimates. This paper analyzes and compares a wide range of recent IV methods in the context of offline policy evaluation (OPE), where the goal is to estimate the value of a policy using logged data only. By applying different IV techniques to OPE, we are not only able to recover previously proposed OPE methods such as model-based techniques but also to obtain competitive new techniques. We find empirically that state-of-the-art OPE methods are closely matched in performance by some IV methods such as AGMM, which were not developed for OPE. We open-source all our code and datasets at https://github.com/liyuan9988/IVOPEwithACME.

Bariscan Bozkurt, Ben Deaner, Dimitri Meunier et al.

We address the setting of Proxy Causal Learning (PCL), which has the goal of estimating causal effects from observed data in the presence of hidden confounding. Proxy methods accomplish this task using two proxy variables related to the latent confounder: a treatment proxy (related to the treatment) and an outcome proxy (related to the outcome). Two approaches have been proposed to perform causal effect estimation given proxy variables; however only one of these has found mainstream acceptance, since the other was understood to require density ratio estimation - a challenging task in high dimensions. In the present work, we propose a practical and effective implementation of the second approach, which bypasses explicit density ratio estimation and is suitable for continuous and high-dimensional treatments. We employ kernel ridge regression to derive estimators, resulting in simple closed-form solutions for dose-response and conditional dose-response curves, along with consistency guarantees. Our methods empirically demonstrate superior or comparable performance to existing frameworks on synthetic and real-world datasets.

Alexandre Galashov, Nathaël Da Costa, Liyuan Xu et al.

Neural networks are typically optimized with variants of stochastic gradient descent. Under a squared loss, however, the optimal solution to the linear last layer weights is known in closed-form. We propose to leverage this during optimization, treating the last layer as a function of the backbone parameters, and optimizing solely for these parameters. We show this is equivalent to alternating between gradient descent steps on the backbone and closed-form updates on the last layer. We adapt the method for the setting of stochastic gradient descent, by trading off the loss on the current batch against the accumulated information from previous batches. Further, we prove that, in the Neural Tangent Kernel regime, convergence of this method to an optimal solution is guaranteed. Finally, we demonstrate the effectiveness of our approach compared with standard SGD on a squared loss in several supervised tasks -- both regression and classification -- including Fourier Neural Operators and Instrumental Variable Regression.

Liyuan Xu, Yutian Chen, Arnaud Doucet et al.

We study a nonparametric approach to Bayesian computation via feature means, where the expectation of prior features is updated to yield expected kernel posterior features, based on regression from learned neural net or kernel features of the observations. All quantities involved in the Bayesian update are learned from observed data, making the method entirely model-free. The resulting algorithm is a novel instance of a kernel Bayes' rule (KBR), based on importance weighting. This results in superior numerical stability to the original approach to KBR, which requires operator inversion. We show the convergence of the estimator using a novel consistency analysis on the importance weighting estimator in the infinity norm. We evaluate KBR on challenging synthetic benchmarks, including a filtering problem with a state-space model involving high dimensional image observations. Importance weighted KBR yields uniformly better empirical performance than the original KBR, and competitive performance with other competing methods.

Rahul Singh, Liyuan Xu, Arthur Gretton

We propose simple nonparametric estimators for mediated and time-varying dose response curves based on kernel ridge regression. By embedding Pearl's mediation formula and Robins' g-formula with kernels, we allow treatments, mediators, and covariates to be continuous in general spaces, and also allow for nonlinear treatment-confounder feedback. Our key innovation is a reproducing kernel Hilbert space technique called sequential kernel embedding, which we use to construct simple estimators that account for complex feedback. Our estimators preserve the generality of classic identification while also achieving nonasymptotic uniform rates. In nonlinear simulations with many covariates, we demonstrate strong performance. We estimate mediated and time-varying dose response curves of the US Job Corps, and clean data that may serve as a benchmark in future work. We extend our results to mediated and time-varying treatment effects and counterfactual distributions, verifying semiparametric efficiency and weak convergence.

Liyuan Xu, Heishiro Kanagawa, Arthur Gretton

Proxy causal learning (PCL) is a method for estimating the causal effect of treatments on outcomes in the presence of unobserved confounding, using proxies (structured side information) for the confounder. This is achieved via two-stage regression: in the first stage, we model relations among the treatment and proxies; in the second stage, we use this model to learn the effect of treatment on the outcome, given the context provided by the proxies. PCL guarantees recovery of the true causal effect, subject to identifiability conditions. We propose a novel method for PCL, the deep feature proxy variable method (DFPV), to address the case where the proxies, treatments, and outcomes are high-dimensional and have nonlinear complex relationships, as represented by deep neural network features. We show that DFPV outperforms recent state-of-the-art PCL methods on challenging synthetic benchmarks, including settings involving high dimensional image data. Furthermore, we show that PCL can be applied to off-policy evaluation for the confounded bandit problem, in which DFPV also exhibits competitive performance.

Liyuan Xu, Yutian Chen, Siddarth Srinivasan et al.

Instrumental variable (IV) regression is a standard strategy for learning causal relationships between confounded treatment and outcome variables from observational data by utilizing an instrumental variable, which affects the outcome only through the treatment. In classical IV regression, learning proceeds in two stages: stage 1 performs linear regression from the instrument to the treatment; and stage 2 performs linear regression from the treatment to the outcome, conditioned on the instrument. We propose a novel method, deep feature instrumental variable regression (DFIV), to address the case where relations between instruments, treatments, and outcomes may be nonlinear. In this case, deep neural nets are trained to define informative nonlinear features on the instruments and treatments. We propose an alternating training regime for these features to ensure good end-to-end performance when composing stages 1 and 2, thus obtaining highly flexible feature maps in a computationally efficient manner. DFIV outperforms recent state-of-the-art methods on challenging IV benchmarks, including settings involving high dimensional image data. DFIV also exhibits competitive performance in off-policy policy evaluation for reinforcement learning, which can be understood as an IV regression task.

Rahul Singh, Liyuan Xu, Arthur Gretton

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a decomposition property specific to the RKHS, our estimators have simple closed form solutions. We prove uniform consistency with finite sample rates via original analysis of generalized kernel ridge regression. We extend our main results to counterfactual distributions and to causal functions identified by front and back door criteria. We achieve state-of-the-art performance in nonlinear simulations with many covariates, and conduct a policy evaluation of the US Job Corps training program for disadvantaged youths.

Han Bao, Takuya Shimada, Liyuan Xu et al.

Similarity learning is a general problem to elicit useful representations by predicting the relationship between a pair of patterns. This problem is related to various important preprocessing tasks such as metric learning, kernel learning, and contrastive learning. A classifier built upon the representations is expected to perform well in downstream classification; however, little theory has been given in literature so far and thereby the relationship between similarity and classification has remained elusive. Therefore, we tackle a fundamental question: can similarity information provably leads a model to perform well in downstream classification? In this paper, we reveal that a product-type formulation of similarity learning is strongly related to an objective of binary classification. We further show that these two different problems are explicitly connected by an excess risk bound. Consequently, our results elucidate that similarity learning is capable of solving binary classification by directly eliciting a decision boundary.

Liyuan Xu, Junya Honda, Gang Niu et al.

Uncoupled regression is the problem to learn a model from unlabeled data and the set of target values while the correspondence between them is unknown. Such a situation arises in predicting anonymized targets that involve sensitive information, e.g., one's annual income. Since existing methods for uncoupled regression often require strong assumptions on the true target function, and thus, their range of applications is limited, we introduce a novel framework that does not require such assumptions in this paper. Our key idea is to utilize pairwise comparison data, which consists of pairs of unlabeled data that we know which one has a larger target value. Such pairwise comparison data is easy to collect, as typically discussed in the learning-to-rank scenario, and does not break the anonymity of data. We propose two practical methods for uncoupled regression from pairwise comparison data and show that the learned regression model converges to the optimal model with the optimal parametric convergence rate when the target variable distributes uniformly. Moreover, we empirically show that for linear models the proposed methods are comparable to ordinary supervised regression with labeled data.

Yuko Kuroki, Liyuan Xu, Atsushi Miyauchi et al.

We study the problem of stochastic combinatorial pure exploration (CPE), where an agent sequentially pulls a set of single arms (a.k.a. a super arm) and tries to find the best super arm. Among a variety of problem settings of the CPE, we focus on the full-bandit setting, where we cannot observe the reward of each single arm, but only the sum of the rewards. Although we can regard the CPE with full-bandit feedback as a special case of pure exploration in linear bandits, an approach based on linear bandits is not computationally feasible since the number of super arms may be exponential. In this paper, we first propose a polynomial-time bandit algorithm for the CPE under general combinatorial constraints and provide an upper bound of the sample complexity. Second, we design an approximation algorithm for the 0-1 quadratic maximization problem, which arises in many bandit algorithms with confidence ellipsoids. Based on our approximation algorithm, we propose novel bandit algorithms for the top-k selection problem, and prove that our algorithms run in polynomial time. Finally, we conduct experiments on synthetic and real-world datasets, and confirm the validity of our theoretical analysis in terms of both the computation time and the sample complexity.

Masahiro Kato, Liyuan Xu, Gang Niu et al.

We consider a problem of learning a binary classifier only from positive data and unlabeled data (PU learning) and estimating the class-prior in unlabeled data under the case-control scenario. Most of the recent methods of PU learning require an estimate of the class-prior probability in unlabeled data, and it is estimated in advance with another method. However, such a two-step approach which first estimates the class prior and then trains a classifier may not be the optimal approach since the estimation error of the class-prior is not taken into account when a classifier is trained. In this paper, we propose a novel unified approach to estimating the class-prior and training a classifier alternately. Our proposed method is simple to implement and computationally efficient. Through experiments, we demonstrate the practical usefulness of the proposed method.

Liyuan Xu, Junya Honda, Masashi Sugiyama

We formulate and study a novel multi-armed bandit problem called the qualitative dueling bandit (QDB) problem, where an agent observes not numeric but qualitative feedback by pulling each arm. We employ the same regret as the dueling bandit (DB) problem where the duel is carried out by comparing the qualitative feedback. Although we can naively use classic DB algorithms for solving the QDB problem, this reduction significantly worsens the performance---actually, in the QDB problem, the probability that one arm wins the duel over another arm can be directly estimated without carrying out actual duels. In this paper, we propose such direct algorithms for the QDB problem. Our theoretical analysis shows that the proposed algorithms significantly outperform DB algorithms by incorporating the qualitative feedback, and experimental results also demonstrate vast improvement over the existing DB algorithms.

Liyuan Xu, Junya Honda, Masashi Sugiyama

We propose the first fully-adaptive algorithm for pure exploration in linear bandits---the task to find the arm with the largest expected reward, which depends on an unknown parameter linearly. While existing methods partially or entirely fix sequences of arm selections before observing rewards, our method adaptively changes the arm selection strategy based on past observations at each round. We show our sample complexity matches the achievable lower bound up to a constant factor in an extreme case. Furthermore, we evaluate the performance of the methods by simulations based on both synthetic setting and real-world data, in which our method shows vast improvement over existing methods.