Masahiro Kato

Masahiro Kato, Masaaki Imaizumi, Takuya Ishihara et al.

We study the best-arm identification (BAI) problem with a fixed budget and contextual (covariate) information. In each round of an adaptive experiment, after observing contextual information, we choose a treatment arm using past observations and current context. Our goal is to identify the best treatment arm, which is a treatment arm with the maximal expected reward marginalized over the contextual distribution, with a minimal probability of misidentification. In this study, we consider a class of nonparametric bandit models that converge to location-shift models when the gaps go to zero. First, we derive lower bounds of the misidentification probability for a certain class of strategies and bandit models (probabilistic models of potential outcomes) under a small-gap regime. A small-gap regime is a situation where gaps of the expected rewards between the best and suboptimal treatment arms go to zero, which corresponds to one of the worst cases in identifying the best treatment arm. We then develop the ``Random Sampling (RS)-Augmented Inverse Probability weighting (AIPW) strategy,'' which is asymptotically optimal in the sense that the probability of misidentification under the strategy matches the lower bound when the budget goes to infinity in the small-gap regime. The RS-AIPW strategy consists of the RS rule tracking a target sample allocation ratio and the recommendation rule using the AIPW estimator.

Masahiro Kato, Masaaki Imaizumi, Takuya Ishihara et al.

We investigate the problem of fixed-budget best arm identification (BAI) for minimizing expected simple regret. In an adaptive experiment, a decision maker draws one of multiple treatment arms based on past observations and observes the outcome of the drawn arm. After the experiment, the decision maker recommends the treatment arm with the highest expected outcome. We evaluate the decision based on the expected simple regret, which is the difference between the expected outcomes of the best arm and the recommended arm. Due to inherent uncertainty, we evaluate the regret using the minimax criterion. First, we derive asymptotic lower bounds for the worst-case expected simple regret, which are characterized by the variances of potential outcomes (leading factor). Based on the lower bounds, we propose the Two-Stage (TS)-Hirano-Imbens-Ridder (HIR) strategy, which utilizes the HIR estimator (Hirano et al., 2003) in recommending the best arm. Our theoretical analysis shows that the TS-HIR strategy is asymptotically minimax optimal, meaning that the leading factor of its worst-case expected simple regret matches our derived worst-case lower bound. Additionally, we consider extensions of our method, such as the asymptotic optimality for the probability of misidentification. Finally, we validate the proposed method's effectiveness through simulations.

Masahiro Kato

Efficient estimation of causal and structural parameters can be automated using the Riesz representation theorem and debiased machine learning (DML). We present genriesz, an open-source Python package that implements automatic DML and generalized Riesz regression, a unified framework for estimating Riesz representers by minimizing empirical Bregman divergences. This framework includes covariate balancing, nearest-neighbor matching, calibrated estimation, and density ratio estimation as special cases. A key design principle of the package is automatic regressor balancing (ARB): given a Bregman generator $g$ and a representer model class, genriesz} automatically constructs a compatible link function so that the generalized Riesz regression estimator satisfies balancing (moment-matching) optimality conditions in a user-chosen basis. The package provides a modulr interface for specifying (i) the target linear functional via a black-box evaluation oracle, (ii) the representer model via basis functions (polynomial, RKHS approximations, random forest leaf encodings, neural embeddings, and a nearest-neighbor catchment basis), and (iii) the Bregman generator, with optional user-supplied derivatives. It returns regression adjustment (RA), Riesz weighting (RW), augmented Riesz weighting (ARW), and TMLE-style estimators with cross-fitting, confidence intervals, and $p$-values. We highlight representative workflows for estimation problems such as the average treatment effect (ATE), ATE on treated (ATT), and average marginal effect estimation. The Python package is available at https://github.com/MasaKat0/genriesz and on PyPI.

Masahiro Kato, Akari Ohda

Synthetic Control Methods (SCMs) have become a fundamental tool for comparative case studies. The core idea behind SCMs is to estimate treatment effects by predicting counterfactual outcomes for a treated unit using a weighted combination of observed outcomes from untreated units. The accuracy of these predictions is crucial for evaluating the treatment effect of a policy intervention. Subsequent research has therefore focused on estimating SC weights. In this study, we highlight a key endogeneity issue in existing SCMs-namely, the correlation between the outcomes of untreated units and the error term of the synthetic control, which leads to bias in both counterfactual outcome prediction and treatment effect estimation. To address this issue, we propose a novel SCM based on moment matching, assuming that the outcome distribution of the treated unit can be approximated by a weighted mixture of the distributions of untreated units. Under this assumption, we estimate SC weights by matching the moments of the treated outcomes with the weighted sum of the moments of the untreated outcomes. Our method offers three advantages: first, under the mixture model assumption, our estimator is asymptotically unbiased; second, this asymptotic unbiasedness reduces the mean squared error in counterfactual predictions; and third, our method provides full distributions of the treatment effect rather than just expected values, thereby broadening the applicability of SCMs. Finally, we present experimental results that demonstrate the effectiveness of our approach.

Masahiro Kato, Shuting Wu, Kodai Kureishi et al.

We address the issue of binary classification from positive and unlabeled data (PU classification) with a selection bias in the positive data. During the observation process, (i) a sample is exposed to a user, (ii) the user then returns the label for the exposed sample, and (iii) we however can only observe the positive samples. Therefore, the positive labels that we observe are a combination of both the exposure and the labeling, which creates a selection bias problem for the observed positive samples. This scenario represents a conceptual framework for many practical applications, such as recommender systems, which we refer to as ``learning from positive, unlabeled, and exposure data'' (PUE classification). To tackle this problem, we initially assume access to data with exposure labels. Then, we propose a method to identify the function of interest using a strong ignorability assumption and develop an ``Automatic Debiased PUE'' (ADPUE) learning method. This algorithm directly debiases the selection bias without requiring intermediate estimates, such as the propensity score, which is necessary for other learning methods. Through experiments, we demonstrate that our approach outperforms traditional PU learning methods on various semi-synthetic datasets.

Masahiro Kato

This study investigates the experimental design problem for identifying the arm with the highest expected outcome, referred to as best arm identification (BAI). In our experiments, the number of treatment-allocation rounds is fixed. During each round, a decision-maker allocates an arm and observes a corresponding outcome, which follows a Gaussian distribution with variances that can differ among the arms. At the end of the experiment, the decision-maker recommends one of the arms as an estimate of the best arm. To design an experiment, we first discuss lower bounds for the probability of misidentification. Our analysis highlights that the available information on the outcome distribution, such as means (expected outcomes), variances, and the choice of the best arm, significantly influences the lower bounds. Because available information is limited in actual experiments, we develop a lower bound that is valid under the unknown means and the unknown choice of the best arm, which are referred to as the worst-case lower bound. We demonstrate that the worst-case lower bound depends solely on the variances of the outcomes. Then, under the assumption that the variances are known, we propose the Generalized-Neyman-Allocation (GNA)-empirical-best-arm (EBA) strategy, an extension of the Neyman allocation proposed by Neyman (1934). We show that the GNA-EBA strategy is asymptotically optimal in the sense that its probability of misidentification aligns with the lower bounds as the sample size increases infinitely and the differences between the expected outcomes of the best and other suboptimal arms converge to the same values across arms. We refer to such strategies as asymptotically worst-case optimal.

Masahiro Kato

Estimating the Riesz representer is a central problem in debiased machine learning for causal and structural parameter estimation. Various methods for Riesz representer estimation have been proposed, including Riesz regression and covariate balancing. This study unifies these methods within a single framework. Our framework fits a Riesz representer model to the true Riesz representer under a Bregman divergence, which includes the squared loss and the Kullback--Leibler (KL) divergence as special cases. We show that the squared loss corresponds to Riesz regression, and the KL divergence corresponds to tailored loss minimization, where the dual solutions correspond to stable balancing weights and entropy balancing weights, respectively, under specific model specifications. We refer to our method as generalized Riesz regression, and we refer to the associated duality as automatic covariate balancing. Our framework also generalizes density ratio fitting under a Bregman divergence to Riesz representer estimation, and it includes various applications beyond density ratio estimation. We also provide a convergence analysis for both cases where the model class is a reproducing kernel Hilbert space (RKHS) and where it is a neural network.

Masahiro Kato

This note introduces a unified theory for causal inference that integrates Riesz regression, covariate balancing, density-ratio estimation (DRE), targeted maximum likelihood estimation (TMLE), and the matching estimator in average treatment effect (ATE) estimation. In ATE estimation, the balancing weights and the regression functions of the outcome play important roles, where the balancing weights are referred to as the Riesz representer, bias-correction term, and clever covariates, depending on the context. Riesz regression, covariate balancing, DRE, and the matching estimator are methods for estimating the balancing weights, where Riesz regression is essentially equivalent to DRE in the ATE context, the matching estimator is a special case of DRE, and DRE is in a dual relationship with covariate balancing. TMLE is a method for constructing regression function estimators such that the leading bias term becomes zero. Nearest Neighbor Matching is equivalent to Least Squares Density Ratio Estimation and Riesz Regression.

Masahiro Kato, Kota Matsui, Ryo Inokuchi

Consider a scenario where we have access to train data with both covariates and outcomes while test data only contains covariates. In this scenario, our primary aim is to predict the missing outcomes of the test data. With this objective in mind, we train parametric regression models under a covariate shift, where covariate distributions are different between the train and test data. For this problem, existing studies have proposed covariate shift adaptation via importance weighting using the density ratio. This approach averages the train data losses, each weighted by an estimated ratio of the covariate densities between the train and test data, to approximate the test-data risk. Although it allows us to obtain a test-data risk minimizer, its performance heavily relies on the accuracy of the density ratio estimation. Moreover, even if the density ratio can be consistently estimated, the estimation errors of the density ratio also yield bias in the estimators of the regression model's parameters of interest. To mitigate these challenges, we introduce a doubly robust estimator for covariate shift adaptation via importance weighting, which incorporates an additional estimator for the regression function. Leveraging double machine learning techniques, our estimator reduces the bias arising from the density ratio estimation errors. We demonstrate the asymptotic distribution of the regression parameter estimator. Notably, our estimator remains consistent if either the density ratio estimator or the regression function is consistent, showcasing its robustness against potential errors in density ratio estimation. Finally, we confirm the soundness of our proposed method via simulation studies.

Masahiro Kato

This position paper argues that, in debiased machine learning, balancing functions should be derived from the Neyman orthogonal score, not chosen only as functions of covariates. Covariate balancing is effective when the regression error entering the score can be represented by functions of covariates alone, and it is the natural finite-dimensional approximation for targets such as ATT counterfactual means. For ATE estimation under treatment effect heterogeneity, however, the score error generally contains treatment-specific components because the outcome regression is a function of the full regressor $X=(D,Z)$. In that case, balancing common functions of $Z$ can leave the treatment-specific component unbalanced. We therefore advocate regressor balancing, implemented by Riesz regression with basis functions of $X$, as the general balancing principle for DML. The position is not that covariate balancing is invalid, but that covariate balancing should be understood as the special case that is appropriate when the score-relevant regression error is a function of covariates alone.

Masahiro Kato

This study proposes Riesz representer estimation methods based on score matching. The Riesz representer is a key component in debiased machine learning for constructing $\sqrt{n}$-consistent and efficient estimators in causal inference and structural parameter estimation. To estimate the Riesz representer, direct approaches have garnered attention, such as Riesz regression and the covariate balancing propensity score. These approaches can also be interpreted as variants of direct density ratio estimation (DRE) in several applications such as average treatment effect estimation. In DRE, it is well known that flexible models can easily overfit the observed data due to the estimand and the form of the loss function. To address this issue, recent work has proposed modeling the density ratio as a product of multiple intermediate density ratios and estimating it using score-matching techniques, which are often used in the diffusion model literature. We extend score-matching-based DRE methods to Riesz representer estimation. Our proposed method not only mitigates overfitting but also provides insights for causal inference by bridging marginal effects and average policy effects through time score functions.

Takashi Kameyama, Masahiro Kato, Yasuko Hio et al.

Large language models (LLMs) are trained on enormous amounts of data and encode knowledge in their parameters. We propose a pipeline to elicit causal relationships from LLMs. Specifically, (i) we sample many documents from LLMs on a given topic, (ii) we extract an event list from from each document, (iii) we group events that appear across documents into canonical events, (iv) we construct a binary indicator vector for each document over canonical events, and (v) we estimate candidate causal graphs using causal discovery methods. Our approach does not guarantee real-world causality. Rather, it provides a framework for presenting the set of causal hypotheses that LLMs can plausibly assume, as an inspectable set of variables and candidate graphs.

Masahiro Kato

Riesz regression has garnered attention as a tool in debiased machine learning for causal and structural parameter estimation (Chernozhukov et al., 2021). This study shows that Riesz regression is closely related to direct density-ratio estimation (DRE) in important cases, including average treat- ment effect (ATE) estimation. Specifically, the idea and objective in Riesz regression coincide with the one in least-squares importance fitting (LSIF, Kanamori et al., 2009) in direct density-ratio estimation. While Riesz regression is general in the sense that it can be applied to Riesz representer estimation in a wide class of problems, the equivalence with DRE allows us to directly import exist- ing results in specific cases, including convergence-rate analyses, the selection of loss functions via Bregman-divergence minimization, and regularization techniques for flexible models, such as neural networks. Conversely, insights about the Riesz representer in debiased machine learning broaden the applications of direct density-ratio estimation methods. This paper consolidates our prior results in Kato (2025a) and Kato (2025b).

Masahiro Kato, Masaaki Imaizumi

In causal inference about two treatments, Conditional Average Treatment Effects (CATEs) play an important role as a quantity representing an individualized causal effect, defined as a difference between the expected outcomes of the two treatments conditioned on covariates. This study assumes two linear regression models between a potential outcome and covariates of the two treatments and defines CATEs as a difference between the linear regression models. Then, we propose a method for consistently estimating CATEs even under high-dimensional and non-sparse parameters. In our study, we demonstrate that desirable theoretical properties, such as consistency, remain attainable even without assuming sparsity explicitly if we assume a weaker assumption called implicit sparsity originating from the definition of CATEs. In this assumption, we suppose that parameters of linear models in potential outcomes can be divided into treatment-specific and common parameters, where the treatment-specific parameters take difference values between each linear regression model, while the common parameters remain identical. Thus, in a difference between two linear regression models, the common parameters disappear, leaving only differences in the treatment-specific parameters. Consequently, the non-zero parameters in CATEs correspond to the differences in the treatment-specific parameters. Leveraging this assumption, we develop a Lasso regression method specialized for CATE estimation and present that the estimator is consistent. Finally, we confirm the soundness of the proposed method by simulation studies.

Masahiro Kato

We consider an adaptive experiment for treatment choice and design a minimax and Bayes optimal adaptive experiment with respect to regret. Given binary treatments, the experimenter's goal is to choose the treatment with the highest expected outcome through an adaptive experiment, in order to maximize welfare. We consider adaptive experiments that consist of two phases, the treatment allocation phase and the treatment choice phase. The experiment starts with the treatment allocation phase, where the experimenter allocates treatments to experimental subjects to gather observations. During this phase, the experimenter can adaptively update the allocation probabilities using the observations obtained in the experiment. After the allocation phase, the experimenter proceeds to the treatment choice phase, where one of the treatments is selected as the best. For this adaptive experimental procedure, we propose an adaptive experiment that splits the treatment allocation phase into two stages, where we first estimate the standard deviations and then allocate each treatment proportionally to its standard deviation. We show that this experiment, often referred to as Neyman allocation, is minimax and Bayes optimal in the sense that its regret upper bounds exactly match the lower bounds that we derive. To show this optimality, we derive minimax and Bayes lower bounds for the regret using change-of-measure arguments. Then, we evaluate the corresponding upper bounds using the central limit theorem and large deviation bounds.

Masahiro Kato

We propose a method for constructing distribution-free prediction intervals in nonparametric instrumental variable regression (NPIV), with finite-sample coverage guarantees. Building on the conditional guarantee framework in conformal inference, we reformulate conditional coverage as marginal coverage over a class of IV shifts $\mathcal{F}$. Our method can be combined with any NPIV estimator, including sieve 2SLS and other machine-learning-based NPIV methods such as neural networks minimax approaches. Our theoretical analysis establishes distribution-free, finite-sample coverage over a practitioner-chosen class of IV shifts.

Masahiro Kato

This study considers the estimation of the average treatment effect (ATE). For ATE estimation, we estimate the propensity score through direct bias-correction term estimation. Let $\{(X_i, D_i, Y_i)\}_{i=1}^{n}$ be the observations, where $X_i \in \mathbb{R}^p$ denotes $p$-dimensional covariates, $D_i \in \{0, 1\}$ denotes a binary treatment assignment indicator, and $Y_i \in \mathbb{R}$ is an outcome. In ATE estimation, the bias-correction term $h_0(X_i, D_i) = \frac{1[D_i = 1]}{e_0(X_i)} - \frac{1[D_i = 0]}{1 - e_0(X_i)}$ plays an important role, where $e_0(X_i)$ is the propensity score, the probability of being assigned treatment $1$. In this study, we propose estimating $h_0$ (or equivalently the propensity score $e_0$) by directly minimizing the prediction error of $h_0$. Since the bias-correction term $h_0$ is essential for ATE estimation, this direct approach is expected to improve estimation accuracy for the ATE. For example, existing studies often employ maximum likelihood or covariate balancing to estimate $e_0$, but these approaches may not be optimal for accurately estimating $h_0$ or the ATE. We present a general framework for this direct bias-correction term estimation approach from the perspective of Bregman divergence minimization and conduct simulation studies to evaluate the effectiveness of the proposed method.

Masahiro Kato

This study proposes an end-to-end algorithm for policy learning in causal inference. We observe data consisting of covariates, treatment assignments, and outcomes, where only the outcome corresponding to the assigned treatment is observed. The goal of policy learning is to train a policy from the observed data, where a policy is a function that recommends an optimal treatment for each individual, to maximize the policy value. In this study, we first show that maximizing the policy value is equivalent to minimizing the mean squared error for the conditional average treatment effect (CATE) under $\{-1, 1\}$ restricted regression models. Based on this finding, we modify the causal forest, an end-to-end CATE estimation algorithm, for policy learning. We refer to our algorithm as the causal-policy forest. Our algorithm has three advantages. First, it is a simple modification of an existing, widely used CATE estimation method, therefore, it helps bridge the gap between policy learning and CATE estimation in practice. Second, while existing studies typically estimate nuisance parameters for policy learning as a separate task, our algorithm trains the policy in a more end-to-end manner. Third, as in standard decision trees and random forests, we train the models efficiently, avoiding computational intractability.

Masahiro Kato, Akihiro Oga, Wataru Komatsubara et al.

This study designs an adaptive experiment for efficiently estimating average treatment effects (ATEs). In each round of our adaptive experiment, an experimenter sequentially samples an experimental unit, assigns a treatment, and observes the corresponding outcome immediately. At the end of the experiment, the experimenter estimates an ATE using the gathered samples. The objective is to estimate the ATE with a smaller asymptotic variance. Existing studies have designed experiments that adaptively optimize the propensity score (treatment-assignment probability). As a generalization of such an approach, we propose optimizing the covariate density as well as the propensity score. First, we derive the efficient covariate density and propensity score that minimize the semiparametric efficiency bound and find that optimizing both covariate density and propensity score minimizes the semiparametric efficiency bound more effectively than optimizing only the propensity score. Next, we design an adaptive experiment using the efficient covariate density and propensity score sequentially estimated during the experiment. Lastly, we propose an ATE estimator whose asymptotic variance aligns with the minimized semiparametric efficiency bound.

Masahiro Kato

This study investigates treatment effect estimation in the semi-supervised setting, where we can use not only the standard triple of covariates, treatment indicator, and outcome, but also unlabeled auxiliary covariates. For this problem, we develop efficiency bounds and efficient estimators whose asymptotic variance aligns with the efficiency bound. In the analysis, we introduce two different data-generating processes: the one-sample setting and the two-sample setting. The one-sample setting considers the case where we can observe treatment indicators and outcomes for a part of the dataset, which is also called the censoring setting. In contrast, the two-sample setting considers two independent datasets with labeled and unlabeled data, which is also called the case-control setting or the stratified setting. In both settings, we find that by incorporating auxiliary covariates, we can lower the efficiency bound and obtain an estimator with an asymptotic variance smaller than that without such auxiliary covariates.

Masahiro Kato

We develop a direct debiased machine learning framework comprising Neyman targeted estimation and generalized Riesz regression. Our framework unifies Riesz regression for automatic debiased machine learning, covariate balancing, targeted maximum likelihood estimation (TMLE), and density-ratio estimation. In many problems involving causal effects or structural models, the parameters of interest depend on regression functions. Plugging regression functions estimated by machine learning methods into the identifying equations can yield poor performance because of first-stage bias. To reduce such bias, debiased machine learning employs Neyman orthogonal estimating equations. Debiased machine learning typically requires estimation of the Riesz representer and the regression function. For this problem, we develop a direct debiased machine learning framework with an end-to-end algorithm. We formulate estimation of the nuisance parameters, the regression function and the Riesz representer, as minimizing the discrepancy between Neyman orthogonal scores computed with known and unknown nuisance parameters, which we refer to as Neyman targeted estimation. Neyman targeted estimation includes Riesz representer estimation, and we measure discrepancies using the Bregman divergence. The Bregman divergence encompasses various loss functions as special cases, where the squared loss yields Riesz regression and the Kullback-Leibler divergence yields entropy balancing. We refer to this Riesz representer estimation as generalized Riesz regression. Neyman targeted estimation also yields TMLE as a special case for regression function estimation. Furthermore, for specific pairs of models and Riesz representer estimation methods, we can automatically obtain the covariate balancing property without explicitly solving the covariate balancing objective.

Masahiro Kato

The goal of policy learning is to train a policy function that recommends a treatment given covariates to maximize population welfare. There are two major approaches in policy learning: the empirical welfare maximization (EWM) approach and the plug-in approach. The EWM approach is analogous to a classification problem, where one first builds an estimator of the population welfare, which is a functional of policy functions, and then trains a policy by maximizing the estimated welfare. In contrast, the plug-in approach is based on regression, where one first estimates the conditional average treatment effect (CATE) and then recommends the treatment with the highest estimated outcome. This study bridges the gap between the two approaches by showing that both are based on essentially the same optimization problem. In particular, we prove an exact equivalence between EWM and least squares over a reparameterization of the policy class. As a consequence, the two approaches are interchangeable in several respects and share the same theoretical guarantees under common conditions. Leveraging this equivalence, we propose a regularization method for policy learning. The reduction to least squares yields a smooth surrogate that is typically easier to optimize in practice. At the same time, for many natural policy classes the inherent combinatorial hardness of exact EWM generally remains, so the reduction should be viewed as an optimization aid rather than a universal bypass of NP-hardness.

Toshinori Kitamura, Tadashi Kozuno, Masahiro Kato et al.

We study a primal-dual (PD) reinforcement learning (RL) algorithm for online constrained Markov decision processes (CMDPs). Despite its widespread practical use, the existing theoretical literature on PD-RL algorithms for this problem only provides sublinear regret guarantees and fails to ensure convergence to optimal policies. In this paper, we introduce a novel policy gradient PD algorithm with uniform probably approximate correctness (Uniform-PAC) guarantees, simultaneously ensuring convergence to optimal policies, sublinear regret, and polynomial sample complexity for any target accuracy. Notably, this represents the first Uniform-PAC algorithm for the online CMDP problem. In addition to the theoretical guarantees, we empirically demonstrate in a simple CMDP that our algorithm converges to optimal policies, while baseline algorithms exhibit oscillatory performance and constraint violation.

Masahiro Kato

This study proves that Nearest Neighbor (NN) matching can be interpreted as an instance of Riesz regression for automatic debiased machine learning. Lin et al. (2023) shows that NN matching is an instance of density-ratio estimation with their new density-ratio estimator. Chernozhukov et al. (2024) develops Riesz regression for automatic debiased machine learning, which directly estimates the Riesz representer (or equivalently, the bias-correction term) by minimizing the mean squared error. In this study, we first prove that the density-ratio estimation method proposed in Lin et al. (2023) is essentially equivalent to Least-Squares Importance Fitting (LSIF) proposed in Kanamori et al. (2009) for direct density-ratio estimation. Furthermore, we derive Riesz regression using the LSIF framework. Based on these results, we derive NN matching from Riesz regression. This study is based on our work Kato (2025a) and Kato (2025b).

Masahiro Kato

We address the problem of best arm identification (BAI) with a fixed budget for two-armed Gaussian bandits. In BAI, given multiple arms, we aim to find the best arm, an arm with the highest expected reward, through an adaptive experiment. Kaufmann et al. (2016) develops a lower bound for the probability of misidentifying the best arm. They also propose a strategy, assuming that the variances of rewards are known, and show that it is asymptotically optimal in the sense that its probability of misidentification matches the lower bound as the budget approaches infinity. However, an asymptotically optimal strategy is unknown when the variances are unknown. For this open issue, we propose a strategy that estimates variances during an adaptive experiment and draws arms with a ratio of the estimated standard deviations. We refer to this strategy as the Neyman Allocation (NA)-Augmented Inverse Probability weighting (AIPW) strategy. We then demonstrate that this strategy is asymptotically optimal by showing that its probability of misidentification matches the lower bound when the budget approaches infinity, and the gap between the expected rewards of two arms approaches zero (small-gap regime). Our results suggest that under the worst-case scenario characterized by the small-gap regime, our strategy, which employs estimated variance, is asymptotically optimal even when the variances are unknown.

Masahiro Kato, Shinji Ito

This study investigates the problem of $K$-armed linear contextual bandits, an instance of the multi-armed bandit problem, under an adversarial corruption. At each round, a decision-maker observes an independent and identically distributed context and then selects an arm based on the context and past observations. After selecting an arm, the decision-maker incurs a loss corresponding to the selected arm. The decision-maker aims to minimize the cumulative loss over the trial. The goal of this study is to develop a strategy that is effective in both stochastic and adversarial environments, with theoretical guarantees. We first formulate the problem by introducing a novel setting of bandits with adversarial corruption, referred to as the contextual adversarial regime with a self-bounding constraint. We assume linear models for the relationship between the loss and the context. Then, we propose a strategy that extends the RealLinExp3 by Neu & Olkhovskaya (2020) and the Follow-The-Regularized-Leader (FTRL). The regret of our proposed algorithm is shown to be upper-bounded by $O\left(\min\left\{\frac{(\log(T))^3}{Δ_{*}} + \sqrt{\frac{C(\log(T))^3}{Δ_{*}}},\ \ \sqrt{T}(\log(T))^2\right\}\right)$, where $T \in\mathbb{N}$ is the number of rounds, $Δ_{*} > 0$ is the constant minimum gap between the best and suboptimal arms for any context, and $C\in[0, T] $ is an adversarial corruption parameter. This regret upper bound implies $O\left(\frac{(\log(T))^3}{Δ_{*}}\right)$ in a stochastic environment and by $O\left( \sqrt{T}(\log(T))^2\right)$ in an adversarial environment. We refer to our strategy as the Best-of-Both-Worlds (BoBW) RealFTRL, due to its theoretical guarantees in both stochastic and adversarial regimes.

Masahiro Kato, Kentaro Baba, Hibiki Kaibuchi et al.

Portfolio optimization is a critical task in investment. Most existing portfolio optimization methods require information on the distribution of returns of the assets that make up the portfolio. However, such distribution information is usually unknown to investors. Various methods have been proposed to estimate distribution information, but their accuracy greatly depends on the uncertainty of the financial markets. Due to this uncertainty, a model that could well predict the distribution information at one point in time may perform less accurately compared to another model at a different time. To solve this problem, we investigate a method for portfolio optimization based on Bayesian predictive synthesis (BPS), one of the Bayesian ensemble methods for meta-learning. We assume that investors have access to multiple asset return prediction models. By using BPS with dynamic linear models to combine these predictions, we can obtain a Bayesian predictive posterior about the mean rewards of assets that accommodate the uncertainty of the financial markets. In this study, we examine how to construct mean-variance portfolios and quantile-based portfolios based on the predicted distribution information.

Masahiro Kato, Shinji Ito

We investigate the \emph{linear contextual bandit problem} with independent and identically distributed (i.i.d.) contexts. In this problem, we aim to develop a \emph{Best-of-Both-Worlds} (BoBW) algorithm with regret upper bounds in both stochastic and adversarial regimes. We develop an algorithm based on \emph{Follow-The-Regularized-Leader} (FTRL) with Tsallis entropy, referred to as the $α$-\emph{Linear-Contextual (LC)-Tsallis-INF}. We show that its regret is at most $O(\log(T))$ in the stochastic regime under the assumption that the suboptimality gap is uniformly bounded from below, and at most $O(\sqrt{T})$ in the adversarial regime. Furthermore, our regret analysis is extended to more general regimes characterized by the \emph{margin condition} with a parameter $β\in (1, \infty]$, which imposes a milder assumption on the suboptimality gap. We show that the proposed algorithm achieves $O\left(\log(T)^{\frac{1+β}{2+β}}T^{\frac{1}{2+β}}\right)$ regret under the margin condition.

Masahiro Kato

This study investigates the estimation and the statistical inference about Conditional Average Treatment Effects (CATEs), which have garnered attention as a metric representing individualized causal effects. In our data-generating process, we assume linear models for the outcomes associated with binary treatments and define the CATE as a difference between the expected outcomes of these linear models. This study allows the linear models to be high-dimensional, and our interest lies in consistent estimation and statistical inference for the CATE. In high-dimensional linear regression, one typical approach is to assume sparsity. However, in our study, we do not assume sparsity directly. Instead, we consider sparsity only in the difference of the linear models. We first use a doubly robust estimator to approximate this difference and then regress the difference on covariates with Lasso regularization. Although this regression estimator is consistent for the CATE, we further reduce the bias using the techniques in double/debiased machine learning (DML) and debiased Lasso, leading to $\sqrt{n}$-consistency and confidence intervals. We refer to the debiased estimator as the triple/debiased Lasso (TDL), applying both DML and debiased Lasso techniques. We confirm the soundness of our proposed method through simulation studies.

Masahiro Kato

This study investigates minimax and Bayes optimal strategies in fixed-budget best-arm identification. We consider an adaptive procedure consisting of a sampling phase followed by a recommendation phase, and we design an adaptive experiment within this framework to efficiently identify the best arm, defined as the one with the highest expected outcome. In our proposed strategy, the sampling phase consists of two stages. The first stage is a pilot phase, in which we allocate each arm uniformly in equal proportions to eliminate clearly suboptimal arms and estimate outcome variances. In the second stage, arms are allocated in proportion to the variances estimated during the first stage. After the sampling phase, the procedure enters the recommendation phase, where we select the arm with the highest sample mean as our estimate of the best arm. We prove that this single strategy is simultaneously asymptotically minimax and Bayes optimal for the simple regret, with upper bounds that coincide exactly with our lower bounds, including the constant terms.

Masahiro Kato, Yuki Ikeda, Kentaro Baba et al.

In this study, we propose a method for identifying potential customers in targeted marketing by applying learning from positive and unlabeled data (PU learning). We consider a scenario in which a company sells a product and can observe only the customers who purchased it. Decision-makers seek to market products effectively based on whether people have loyalty to the company. Individuals with loyalty are those who are likely to remain interested in the company even without additional advertising. Consequently, those loyal customers would likely purchase from the company if they are interested in the product. In contrast, people with lower loyalty may overlook the product or buy similar products from other companies unless they receive marketing attention. Therefore, by focusing marketing efforts on individuals who are interested in the product but do not have strong loyalty, we can achieve more efficient marketing. To achieve this goal, we consider how to learn, from limited data, a classifier that identifies potential customers who (i) have interest in the product and (ii) do not have loyalty to the company. Although our algorithm comprises a single-stage optimization, its objective function implicitly contains two losses derived from standard PU learning settings. For this reason, we refer to our approach as double PU learning. We verify the validity of the proposed algorithm through numerical experiments, confirming that it functions appropriately for the problem at hand.

Kiet Q. H. Vo, Siu Lun Chau, Masahiro Kato et al. · oxford

We study explanation design in algorithmic decision making with strategic agents, individuals who may modify their inputs in response to explanations of a decision maker's (DM's) predictive model. As the demand for transparent algorithmic systems continues to grow, most prior work assumes full model disclosure as the default solution. In practice, however, DMs such as financial institutions typically disclose only partial model information via explanations. Such partial disclosure can lead agents to misinterpret the model and take actions that unknowingly harm their utility. A key open question is how DMs can communicate explanations in a way that avoids harming strategic agents, while still supporting their own decision-making goals, e.g., minimising predictive error. In this work, we analyse well-known explanation methods, and establish a necessary condition to prevent explanations from misleading agents into self-harming actions. Moreover, with a conditional homogeneity assumption, we prove that action recommendation-based explanations (ARexes) are sufficient for non-harmful responses, mirroring the revelation principle in information design. To demonstrate how ARexes can be operationalised in practice, we propose a simple learning procedure that jointly optimises the predictive model and explanation policy. Experiments on synthetic and real-world tasks show that ARexes allow the DM to optimise their model's predictive performance while preserving agents' utility, offering a more refined strategy for safe and effective partial model disclosure.

Masahiro Kato, Fumiaki Kozai, Ryo Inokuchi

The estimation of average treatment effects (ATEs), defined as the difference in expected outcomes between treatment and control groups, is a central topic in causal inference. This study develops semiparametric efficient estimators for ATE in a setting where only a treatment group and an unlabeled group, consisting of units whose treatment status is unknown, are observed. This scenario constitutes a variant of learning from positive and unlabeled data (PU learning) and can be viewed as a special case of ATE estimation with missing data. For this setting, we derive the semiparametric efficiency bounds, which characterize the lowest achievable asymptotic variance for regular estimators. We then construct semiparametric efficient ATE estimators that attain these bounds. Our results contribute to the literature on causal inference with missing data and weakly supervised learning.

Masahiro Kato

This study proposes a debiasing method for smooth nonparametric estimators. While machine learning techniques such as random forests and neural networks have demonstrated strong predictive performance, their theoretical properties remain relatively underexplored. In particular, many modern algorithms lack guarantees of pointwise and uniform risk convergence, as well as asymptotic normality. These properties are essential for statistical inference and robust estimation and have been well-established for classical methods such as Nadaraya-Watson regression. To ensure these properties for various nonparametric regression estimators, we introduce a model-free debiasing method. By incorporating a correction term that estimates the conditional expected residual of the original estimator, or equivalently, its estimation error, into the initial nonparametric regression estimator, we obtain a debiased estimator that satisfies pointwise and uniform risk convergence, along with asymptotic normality, under mild smoothness conditions. These properties facilitate statistical inference and enhance robustness to covariate shift, making the method broadly applicable to a wide range of nonparametric regression problems.

Masahiro Kato

This study investigates an asymptotically minimax optimal algorithm in the two-armed fixed-budget best-arm identification (BAI) problem. Given two treatment arms, the objective is to identify the arm with the highest expected outcome through an adaptive experiment. We focus on the Neyman allocation, where treatment arms are allocated following the ratio of their outcome standard deviations. Our primary contribution is to prove the minimax optimality of the Neyman allocation for the simple regret, defined as the difference between the expected outcomes of the true best arm and the estimated best arm. Specifically, we first derive a minimax lower bound for the expected simple regret, which characterizes the worst-case performance achievable under the location-shift distributions, including Gaussian distributions. We then show that the simple regret of the Neyman allocation asymptotically matches this lower bound, including the constant term, not just the rate in terms of the sample size, under the worst-case distribution. Notably, our optimality result holds without imposing locality restrictions on the distribution, such as the local asymptotic normality. Furthermore, we demonstrate that the Neyman allocation reduces to the uniform allocation, i.e., the standard randomized controlled trial, under Bernoulli distributions.

Masahiro Kato

This study introduces a debiasing method for regression estimators, including high-dimensional and nonparametric regression estimators. For example, nonparametric regression methods allow for the estimation of regression functions in a data-driven manner with minimal assumptions; however, these methods typically fail to achieve $\sqrt{n}$-consistency in their convergence rates, and many, including those in machine learning, lack guarantees that their estimators asymptotically follow a normal distribution. To address these challenges, we propose a debiasing technique for nonparametric estimators by adding a bias-correction term to the original estimators, extending the conventional one-step estimator used in semiparametric analysis. Specifically, for each data point, we estimate the conditional expected residual of the original nonparametric estimator, which can, for instance, be computed using kernel (Nadaraya-Watson) regression, and incorporate it as a bias-reduction term. Our theoretical analysis demonstrates that the proposed estimator achieves $\sqrt{n}$-consistency and asymptotic normality under a mild convergence rate condition for both the original nonparametric estimator and the conditional expected residual estimator. Notably, this approach remains model-free as long as the original estimator and the conditional expected residual estimator satisfy the convergence rate condition. The proposed method offers several advantages, including improved estimation accuracy and simplified construction of confidence intervals.

Masahiro Kato

This note introduces a doubly robust (DR) estimator for regression discontinuity (RD) designs. RD designs provide a quasi-experimental framework for estimating treatment effects, where treatment assignment depends on whether a running variable surpasses a predefined cutoff. A common approach in RD estimation is the use of nonparametric regression methods, such as local linear regression. However, the validity of these methods still relies on the consistency of the nonparametric estimators. In this study, we propose the DR-RD estimator, which combines two distinct estimators for the conditional expected outcomes. The primary advantage of the DR-RD estimator lies in its ability to ensure the consistency of the treatment effect estimation as long as at least one of the two estimators is consistent. Consequently, our DR-RD estimator enhances robustness of treatment effect estimators in RD designs.

Masahiro Kato

This study examines portfolio selection using predictive models for portfolio returns. Portfolio selection is a fundamental task in finance, and a variety of methods have been developed to achieve this goal. For instance, the mean-variance approach constructs portfolios by balancing the trade-off between the mean and variance of asset returns, while the quantile-based approach optimizes portfolios by considering tail risk. These methods often depend on distributional information estimated from historical data using predictive models, each of which carries its own uncertainty. To address this, we propose a framework for predictive portfolio selection via conformal prediction , called \emph{Conformal Predictive Portfolio Selection} (CPPS). Our approach forecasts future portfolio returns, computes the corresponding prediction intervals, and selects the portfolio of interest based on these intervals. The framework is flexible and can accommodate a wide range of predictive models, including autoregressive (AR) models, random forests, and neural networks. We demonstrate the effectiveness of the CPPS framework by applying it to an AR model and validate its performance through empirical studies, showing that it delivers superior returns compared to simpler strategies.

Masahiro Kato, Kyohei Okumura, Takuya Ishihara et al.

This study investigates the contextual best arm identification (BAI) problem, aiming to design an adaptive experiment to identify the best treatment arm conditioned on contextual information (covariates). We consider a decision-maker who assigns treatment arms to experimental units during an experiment and recommends the estimated best treatment arm based on the contexts at the end of the experiment. The decision-maker uses a policy for recommendations, which is a function that provides the estimated best treatment arm given the contexts. In our evaluation, we focus on the worst-case expected regret, a relative measure between the expected outcomes of an optimal policy and our proposed policy. We derive a lower bound for the expected simple regret and then propose a strategy called Adaptive Sampling-Policy Learning (PLAS). We prove that this strategy is minimax rate-optimal in the sense that its leading factor in the regret upper bound matches the lower bound as the number of experimental units increases.

Masahiro Kato, Masaaki Imaizumi

We study the benign overfitting theory in the prediction of the conditional average treatment effect (CATE), with linear regression models. As the development of machine learning for causal inference, a wide range of large-scale models for causality are gaining attention. One problem is that suspicions have been raised that the large-scale models are prone to overfitting to observations with sample selection, hence the large models may not be suitable for causal prediction. In this study, to resolve the suspicious, we investigate on the validity of causal inference methods for overparameterized models, by applying the recent theory of benign overfitting (Bartlett et al., 2020). Specifically, we consider samples whose distribution switches depending on an assignment rule, and study the prediction of CATE with linear models whose dimension diverges to infinity. We focus on two methods: the T-learner, which based on a difference between separately constructed estimators with each treatment group, and the inverse probability weight (IPW)-learner, which solves another regression problem approximated by a propensity score. In both methods, the estimator consists of interpolators that fit the samples perfectly. As a result, we show that the T-learner fails to achieve the consistency except the random assignment, while the IPW-learner converges the risk to zero if the propensity score is known. This difference stems from that the T-learner is unable to preserve eigenspaces of the covariances, which is necessary for benign overfitting in the overparameterized setting. Our result provides new insights into the usage of causal inference methods in the overparameterizated setting, in particular, doubly robust estimators.

Masahiro Kato, Masaaki Imaizumi, Kentaro Minami

This paper provides a unified perspective for the Kullback-Leibler (KL)-divergence and the integral probability metrics (IPMs) from the perspective of maximum likelihood density-ratio estimation (DRE). Both the KL-divergence and the IPMs are widely used in various fields in applications such as generative modeling. However, a unified understanding of these concepts has still been unexplored. In this paper, we show that the KL-divergence and the IPMs can be represented as maximal likelihoods differing only by sampling schemes, and use this result to derive a unified form of the IPMs and a relaxed estimation method. To develop the estimation problem, we construct an unconstrained maximum likelihood estimator to perform DRE with a stratified sampling scheme. We further propose a novel class of probability divergences, called the Density Ratio Metrics (DRMs), that interpolates the KL-divergence and the IPMs. In addition to these findings, we also introduce some applications of the DRMs, such as DRE and generative adversarial networks. In experiments, we validate the effectiveness of our proposed methods.

Masahiro Kato, Kaito Ariu, Masaaki Imaizumi et al.

We consider fixed-budget best-arm identification in two-armed Gaussian bandit problems. One of the longstanding open questions is the existence of an optimal strategy under which the probability of misidentification matches a lower bound. We show that a strategy following the Neyman allocation rule (Neyman, 1934) is asymptotically optimal when the gap between the expected rewards is small. First, we review a lower bound derived by Kaufmann et al. (2016). Then, we propose the "Neyman Allocation (NA)-Augmented Inverse Probability weighting (AIPW)" strategy, which consists of the sampling rule using the Neyman allocation with an estimated standard deviation and the recommendation rule using an AIPW estimator. Our proposed strategy is optimal because the upper bound matches the lower bound when the budget goes to infinity and the gap goes to zero.

Junpei Komiyama, Kaito Ariu, Masahiro Kato et al.

We consider best arm identification in the multi-armed bandit problem. Assuming certain continuity conditions of the prior, we characterize the rate of the Bayesian simple regret. Differing from Bayesian regret minimization (Lai, 1987), the leading term in the Bayesian simple regret derives from the region where the gap between optimal and suboptimal arms is smaller than $\sqrt{\frac{\log T}{T}}$. We propose a simple and easy-to-compute algorithm with its leading term matching with the lower bound up to a constant factor; simulation results support our theoretical findings.

Kaito Ariu, Masahiro Kato, Junpei Komiyama et al.

We consider the "policy choice" problem -- otherwise known as best arm identification in the bandit literature -- proposed by Kasy and Sautmann (2021) for adaptive experimental design. Theorem 1 of Kasy and Sautmann (2021) provides three asymptotic results that give theoretical guarantees for exploration sampling developed for this setting. We first show that the proof of Theorem 1 (1) has technical issues, and the proof and statement of Theorem 1 (2) are incorrect. We then show, through a counterexample, that Theorem 1 (3) is false. For the former two, we correct the statements and provide rigorous proofs. For Theorem 1 (3), we propose an alternative objective function, which we call posterior weighted policy regret, and derive the asymptotic optimality of exploration sampling.

Masahiro Kato, Masaaki Imaizumi, Kenichiro McAlinn et al.

We consider learning causal relationships under conditional moment restrictions. Unlike causal inference under unconditional moment restrictions, conditional moment restrictions pose serious challenges for causal inference, especially in high-dimensional settings. To address this issue, we propose a method that transforms conditional moment restrictions to unconditional moment restrictions through importance weighting, using a conditional density ratio estimator. Using this transformation, we successfully estimate nonparametric functions defined under conditional moment restrictions. Our proposed framework is general and can be applied to a wide range of methods, including neural networks. We analyze the estimation error, providing theoretical support for our proposed method. In experiments, we confirm the soundness of our proposed method.

Masahiro Kato, Kaito Ariu

We study the best-arm identification problem with fixed confidence when contextual (covariate) information is available in stochastic bandits. Although we can use contextual information in each round, we are interested in the marginalized mean reward over the contextual distribution. Our goal is to identify the best arm with a minimal number of samplings under a given value of the error rate. We show the instance-specific sample complexity lower bounds for the problem. Then, we propose a context-aware version of the "Track-and-Stop" strategy, wherein the proportion of the arm draws tracks the set of optimal allocations and prove that the expected number of arm draws matches the lower bound asymptotically. We demonstrate that contextual information can be used to improve the efficiency of the identification of the best marginalized mean reward compared with the results of Garivier & Kaufmann (2016). We experimentally confirm that context information contributes to faster best-arm identification.

Riku Togashi, Masahiro Kato, Mayu Otani et al.

Learning from implicit feedback is challenging because of the difficult nature of the one-class problem: we can observe only positive examples. Most conventional methods use a pairwise ranking approach and negative samplers to cope with the one-class problem. However, such methods have two main drawbacks particularly in large-scale applications; (1) the pairwise approach is severely inefficient due to the quadratic computational cost; and (2) even recent model-based samplers (e.g. IRGAN) cannot achieve practical efficiency due to the training of an extra model. In this paper, we propose a learning-to-rank approach, which achieves convergence speed comparable to the pointwise counterpart while performing similarly to the pairwise counterpart in terms of ranking effectiveness. Our approach estimates the probability densities of positive items for each user within a rich class of distributions, viz. \emph{exponential family}. In our formulation, we derive a loss function and the appropriate negative sampling distribution based on maximum likelihood estimation. We also develop a practical technique for risk approximation and a regularisation scheme. We then discuss that our single-model approach is equivalent to an IRGAN variant under a certain condition. Through experiments on real-world datasets, our approach outperforms the pointwise and pairwise counterparts in terms of effectiveness and efficiency.

Masahiro Kato

Adaptive experiments, including efficient average treatment effect estimation and multi-armed bandit algorithms, have garnered attention in various applications, such as social experiments, clinical trials, and online advertisement optimization. This paper considers estimating the mean outcome of an action from samples obtained in adaptive experiments. In causal inference, the mean outcome of an action has a crucial role, and the estimation is an essential task, where the average treatment effect estimation and off-policy value estimation are its variants. In adaptive experiments, the probability of choosing an action (logging policy) is allowed to be sequentially updated based on past observations. Due to this logging policy depending on the past observations, the samples are often not independent and identically distributed (i.i.d.), making developing an asymptotically normal estimator difficult. A typical approach for this problem is to assume that the logging policy converges in a time-invariant function. However, this assumption is restrictive in various applications, such as when the logging policy fluctuates or becomes zero at some periods. To mitigate this limitation, we propose another assumption that the average logging policy converges to a time-invariant function and show the doubly robust (DR) estimator's asymptotic normality. Under the assumption, the logging policy itself can fluctuate or be zero for some actions. We also show the empirical properties by simulations.

Riku Togashi, Masahiro Kato, Mayu Otani et al.

Learning from implicit user feedback is challenging as we can only observe positive samples but never access negative ones. Most conventional methods cope with this issue by adopting a pairwise ranking approach with negative sampling. However, the pairwise ranking approach has a severe disadvantage in the convergence time owing to the quadratically increasing computational cost with respect to the sample size; it is problematic, particularly for large-scale datasets and complex models such as neural networks. By contrast, a pointwise approach does not directly solve a ranking problem, and is therefore inferior to a pairwise counterpart in top-K ranking tasks; however, it is generally advantageous in regards to the convergence time. This study aims to establish an approach to learn personalised ranking from implicit feedback, which reconciles the training efficiency of the pointwise approach and ranking effectiveness of the pairwise counterpart. The key idea is to estimate the ranking of items in a pointwise manner; we first reformulate the conventional pointwise approach based on density ratio estimation and then incorporate the essence of ranking-oriented approaches (e.g. the pairwise approach) into our formulation. Through experiments on three real-world datasets, we demonstrate that our approach not only dramatically reduces the convergence time (one to two orders of magnitude faster) but also significantly improving the ranking performance.

Masahiro Kato, Zhenghang Cui, Yoshihiro Fukuhara

This paper proposes a classification framework with a rejection option to mitigate the performance deterioration caused by adversarial examples. While recent machine learning algorithms achieve high prediction performance, they are empirically vulnerable to adversarial examples, which are slightly perturbed data samples that are wrongly classified. In real-world applications, adversarial attacks using such adversarial examples could cause serious problems. To this end, various methods are proposed to obtain a classifier that is robust against adversarial examples. Adversarial training is one of them, which trains a classifier to minimize the worst-case loss under adversarial attacks. In this paper, in order to acquire a more reliable classifier against adversarial attacks, we propose the method of Adversarial Training with a Rejection Option (ATRO). Applying the adversarial training objective to both a classifier and a rejection function simultaneously, classifiers trained by ATRO can choose to abstain from classification when it has insufficient confidence to classify a test data point. We examine the feasibility of the framework using the surrogate maximum hinge loss and establish a generalization bound for linear models. Furthermore, we empirically confirmed the effectiveness of ATRO using various models and real-world datasets.