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 estimation


Calibeating Prediction-Powered Inference

van der Laan, Lars, Van Der Laan, Mark

arXiv.org Machine Learning

We study semisupervised mean estimation with a small labeled sample, a large unlabeled sample, and a black-box prediction model whose output may be miscalibrated. A standard approach in this setting is augmented inverse-probability weighting (AIPW) [Robins et al., 1994], which protects against prediction-model misspecification but can be inefficient when the prediction score is poorly aligned with the outcome scale. We introduce Calibrated Prediction-Powered Inference, which post-hoc calibrates the prediction score on the labeled sample before using it for semisupervised estimation. This simple step requires no retraining and can improve the original score both as a predictor of the outcome and as a regression adjustment for semisupervised inference. We study both linear and isotonic calibration. For isotonic calibration, we establish first-order optimality guarantees: isotonic post-processing can improve predictive accuracy and estimator efficiency relative to the original score and simpler post-processing rules, while no further post-processing of the fitted isotonic score yields additional first-order gains. For linear calibration, we show first-order equivalence to PPI++. We also clarify the relationship among existing estimators, showing that the original PPI estimator is a special case of AIPW and can be inefficient when the prediction model is accurate, while PPI++ is AIPW with empirical efficiency maximization [Rubin et al., 2008]. In simulations and real-data experiments, our calibrated estimators often outperform PPI and are competitive with, or outperform, AIPW and PPI++. We provide an accompanying Python package, ppi_aipw, at https://larsvanderlaan.github.io/ppi-aipw/.


Calibrating conditional risk

Vasilyev, Andrey, Wang, Yikai, Li, Xiaocheng, Chen, Guanting

arXiv.org Machine Learning

We introduce and study the problem of calibrating conditional risk, which involves estimating the expected loss of a prediction model conditional on input features. We analyze this problem in both classification and regression settings and show that it is fundamentally equivalent to a standard regression task. For classification settings, we further establish a connection between conditional risk calibration and individual/conditional probability calibration, and develop theoretical insights for the performance metric. This reveals that while conditional risk calibration is related to existing uncertainty quantification problems, it remains a distinct and standalone machine learning problem. Empirically, we validate our theoretical findings and demonstrate the practical implications of conditional risk calibration in the learning to defer (L2D) framework. Our systematic experiments provide both qualitative and quantitative assessments, offering guidance for future research in uncertainty-aware decision-making.


Fast estimation of Gaussian mixture components via centering and singular value thresholding

Qing, Huan

arXiv.org Machine Learning

Estimating the number of components is a fundamental challenge in unsupervised learning, particularly when dealing with high-dimensional data with many components or severely imbalanced component sizes. This paper addresses this challenge for classical Gaussian mixture models. The proposed estimator is simple: center the data, compute the singular values of the centered matrix, and count those above a threshold. No iterative fitting, no likelihood calculation, and no prior knowledge of the number of components are required. We prove that, under a mild separation condition on the component centers, the estimator consistently recovers the true number of components. The result holds in high-dimensional settings where the dimension can be much larger than the sample size. It also holds when the number of components grows to the smaller of the dimension and the sample size, even under severe imbalance among component sizes. Computationally, the method is extremely fast: for example, it processes ten million samples in one hundred dimensions within one minute. Extensive experimental studies confirm its accuracy in challenging settings such as high dimensionality, many components, and severe class imbalance.


Distributional Off-Policy Evaluation with Deep Quantile Process Regression

Kuang, Qi, Wang, Chao, Jiao, Yuling, Zhou, Fan

arXiv.org Machine Learning

This paper investigates the off-policy evaluation (OPE) problem from a distributional perspective. Rather than focusing solely on the expectation of the total return, as in most existing OPE methods, we aim to estimate the entire return distribution. To this end, we introduce a quantile-based approach for OPE using deep quantile process regression, presenting a novel algorithm called Deep Quantile Process regression-based Off-Policy Evaluation (DQPOPE). We provide new theoretical insights into the deep quantile process regression technique, extending existing approaches that estimate discrete quantiles to estimate a continuous quantile function. A key contribution of our work is the rigorous sample complexity analysis for distributional OPE with deep neural networks, bridging theoretical analysis with practical algorithmic implementations. We show that DQPOPE achieves statistical advantages by estimating the full return distribution using the same sample size required to estimate a single policy value using conventional methods. Empirical studies further show that DQPOPE provides significantly more precise and robust policy value estimates than standard methods, thereby enhancing the practical applicability and effectiveness of distributional reinforcement learning approaches.


Algorithmic Contiguity from Low-Degree Heuristic II: Predicting Detection-Recovery Gaps

Li, Zhangsong

arXiv.org Machine Learning

The low-degree polynomial framework has emerged as a powerful tool for providing evidence of statistical-computational gaps in high-dimensional inference. For detection problems, the standard approach bounds the low-degree advantage through an explicit orthonormal basis. However, this method does not extend naturally to estimation tasks, and thus fails to capture the \emph{detection-recovery gap phenomenon} that arises in many high-dimensional problems. Although several important advances have been made to overcome this limitation \cite{SW22, SW25, CGGV25+}, the existing approaches often rely on delicate, model-specific combinatorial arguments. In this work, we develop a general approach for obtaining \emph{conditional computational lower bounds} for recovery problems from mild bounds on low-degree testing advantage. Our method combines the notion of algorithmic contiguity in \cite{Li25} with a cross-validation reduction in \cite{DHSS25} that converts successful recovery into a hypothesis test with lopsided success probabilities. In contrast to prior unconditional lower bounds, our argument is conceptually simple, flexible, and largely model-independent. We apply this framework to several canonical inference problems, including planted submatrix, planted dense subgraph, stochastic block model, multi-frequency angular synchronization, orthogonal group synchronization, and multi-layer stochastic block model. In the first three settings, our method recovers existing low-degree lower bounds for recovery in \cite{SW22, SW25} via a substantially simpler argument. In the latter three, it gives new evidence for conjectured computational thresholds including the persistence of detection-recovery gaps. Together, these results suggest that mild control of low-degree advantage is often sufficient to explain computational barriers for recovery in high-dimensional statistical models.


Overcoming Selection Bias in Statistical Studies With Amortized Bayesian Inference

Arruda, Jonas, Chervet, Sophie, Staudt, Paula, Wieser, Andreas, Hoelscher, Michael, Sermet-Gaudelus, Isabelle, Binder, Nadine, Opatowski, Lulla, Hasenauer, Jan

arXiv.org Machine Learning

Selection bias arises when the probability that an observation enters a dataset depends on variables related to the quantities of interest, leading to systematic distortions in estimation and uncertainty quantification. For example, in epidemiological or survey settings, individuals with certain outcomes may be more likely to be included, resulting in biased prevalence estimates with potentially substantial downstream impact. Classical corrections, such as inverse-probability weighting or explicit likelihood-based models of the selection process, rely on tractable likelihoods, which limits their applicability in complex stochastic models with latent dynamics or high-dimensional structure. Simulation-based inference enables Bayesian analysis without tractable likelihoods but typically assumes missingness at random and thus fails when selection depends on unobserved outcomes or covariates. Here, we develop a bias-aware simulation-based inference framework that explicitly incorporates selection into neural posterior estimation. By embedding the selection mechanism directly into the generative simulator, the approach enables amortized Bayesian inference without requiring tractable likelihoods. This recasting of selection bias as part of the simulation process allows us to both obtain debiased estimates and explicitly test for the presence of bias. The framework integrates diagnostics to detect discrepancies between simulated and observed data and to assess posterior calibration. The method recovers well-calibrated posterior distributions across three statistical applications with diverse selection mechanisms, including settings in which likelihood-based approaches yield biased estimates. These results recast the correction of selection bias as a simulation problem and establish simulation-based inference as a practical and testable strategy for parameter estimation under selection bias.


Revisiting Active Sequential Prediction-Powered Mean Estimation

Sfyraki, Maria-Eleni, Wang, Jun-Kun

arXiv.org Machine Learning

In this work, we revisit the problem of active sequential prediction-powered mean estimation, where at each round one must decide the query probability of the ground-truth label upon observing the covariates of a sample. Furthermore, if the label is not queried, the prediction from a machine learning model is used instead. Prior work proposed an elegant scheme that determines the query probability by combining an uncertainty-based suggestion with a constant probability that encodes a soft constraint on the query probability. We explored different values of the mixing parameter and observed an intriguing empirical pattern: the smallest confidence width tends to occur when the weight on the constant probability is close to one, thereby reducing the influence of the uncertainty-based component. Motivated by this observation, we develop a non-asymptotic analysis of the estimator and establish a data-dependent bound on its confidence interval. Our analysis further suggests that when a no-regret learning approach is used to determine the query probability and control this bound, the query probability converges to the constraint of the max value of the query probability when it is chosen obliviously to the current covariates. We also conduct simulations that corroborate these theoretical findings.


How to Approximate Inference with Subtractive Mixture Models

Zellinger, Lena, Branchini, Nicola, De Smet, Lennert, Elvira, Víctor, Malkin, Nikolay, Vergari, Antonio

arXiv.org Machine Learning

Classical mixture models (MMs) are widely used tractable proposals for approximate inference settings such as variational inference (VI) and importance sampling (IS). Recently, mixture models with negative coefficients, called subtractive mixture models (SMMs), have been proposed as a potentially more expressive alternative. However, how to effectively use SMMs for VI and IS is still an open question as they do not provide latent variable semantics and therefore cannot use sampling schemes for classical MMs. In this work, we study how to circumvent this issue by designing several expectation estimators for IS and learning schemes for VI with SMMs, and we empirically evaluate them for distribution approximation. Finally, we discuss the additional challenges in estimation stability and learning efficiency that they carry and propose ways to overcome them. Code is available at: https://github.com/april-tools/delta-vi.


Covariance-Based Structural Equation Modeling in Small-Sample Settings with $p>n$

Hasegawa, Hiroki, Tamura, Aoba, Okada, Yukihiko

arXiv.org Machine Learning

Factor-based Structural Equation Modeling (SEM) relies on likelihood-based estimation assuming a nonsingular sample covariance matrix, which breaks down in small-sample settings with $p>n$. To address this, we propose a novel estimation principle that reformulates the covariance structure into self-covariance and cross-covariance components. The resulting framework defines a likelihood-based feasible set combined with a relative error constraint, enabling stable estimation in small-sample settings where $p>n$ for sign and direction. Experiments on synthetic and real-world data show improved stability, particularly in recovering the sign and direction of structural parameters. These results extend covariance-based SEM to small-sample settings and provide practically useful directional information for decision-making.


Generative Augmented Inference

Lu, Cheng, Wang, Mengxin, Zhang, Dennis J., Zhang, Heng

arXiv.org Machine Learning

Data-driven operations management often relies on parameters estimated from costly human-generated labels. Recent advances in large language models (LLMs) and other AI systems offer inexpensive auxiliary data, but introduce a new challenge: AI outputs are not direct observations of the target outcomes, but could involve high-dimensional representations with complex and unknown relationships to human labels. Conventional methods leverage AI predictions as direct proxies for true labels, which can be inefficient or unreliable when this relationship is weak or misspecified. We propose Generative Augmented Inference (GAI), a general framework that incorporates AI-generated outputs as informative features for estimating models of human-labeled outcomes. GAI uses an orthogonal moment construction that enables consistent estimation and valid inference with flexible, nonparametric relationship between LLM-generated outputs and human labels. We establish asymptotic normality and show a "safe default" property: relative to human-data-only estimators, GAI weakly improves estimation efficiency under arbitrary auxiliary signals and yields strict gains whenever the auxiliary information is predictive. Empirically, GAI outperforms benchmarks across diverse settings. In conjoint analysis with weak auxiliary signals, GAI reduces estimation error by about 50% and lowers human labeling requirements by over 75%. In retail pricing, where all methods access the same auxiliary inputs, GAI consistently outperforms alternative estimators, highlighting the value of its construction rather than differences in information. In health insurance choice, it cuts labeling requirements by over 90% while maintaining decision accuracy. Across applications, GAI improves confidence interval coverage without inflating width. Overall, GAI provides a principled and scalable approach to integrating AI-generated information.