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Emmanuel J. Candès

Publications and source records attributed to Emmanuel J. Candès.

At least 19 recordsLinked to original sources

Everywhere Valid Bounds on False Discovery Proportions in Conformal Inference

Modern applications of conformal inference to multiple testing problems, such as outlier detection and candidate selection, often involve selecting test samples whose conformal p-values fall below a threshold. The quality of such methods is often measured by the false discovery proportion (FDP), defined as the fraction of incorrect selections. Existing approaches typically control the expected value of the FDP, using methods such as the Benjamini-Hochberg procedure. This approach fails to provide high-probability bounds on the realized false discovery proportion and invalidates statistical guarantees if the rejection threshold is selected after inspecting the data. This paper establishes finite-sample, distribution-free upper bounds on the FDP that hold simultaneously over all possible rejection thresholds, enabling arbitrary post hoc selection of the threshold. Simultaneous validity is achieved by constructing a high-probability envelope for the empirical distribution function of null conformal p-values by sampling from their joint distribution. Furthermore, our framework allows practitioners to modulate the envelope's shape, thereby producing tight bounds in rejection regions of primary interest. We use this flexible approach to derive simultaneous FDP upper bounds for both outlier detection and conformal selection. We demonstrate through synthetic and real-data experiments that the resulting bounds are both valid and substantially less conservative than those derived from existing approaches.

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Optimized Labeling Resource Allocation for Prediction-Assisted Inference via OPAL

Active Statistical Inference is a new framework to make precise claims about population parameters with provable statistical guarantees. It uses a predictive "black-box" machine learning (ML) model to strategically decide which data points to label, roughly prioritizing samples for which the ML model is unsure about their label values. A major issue is that the framework can be brittle when uncertainty estimates are noisy. This paper introduces OPAL (Optimized Policy for Allocation of Labels), which learns a labeling strategy within a tractable class of smooth policies to yield estimators with the lowest variance. In effect, OPAL is an end-to-end pipeline that turns a black-box model's uncertainty scores into a data-adaptive labeling strategy and then performs inference on the collected samples. We evaluate OPAL on real datasets spanning medical imaging data, computational social science, and proteomics. As a concrete example, we consider predicting breast cancer subtype from histopathology images and using OPAL to form valid confidence intervals for odds ratios for different demographic groups. We show that OPAL achieves nominal coverage in finite samples and has the accuracy one expects from methods which have far more labeled samples.

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Posterior Conformal Prediction

Conformal prediction is a popular technique for constructing prediction intervals with distribution-free coverage guarantees. The coverage is marginal, meaning it only holds on average over the entire population but not necessarily for any specific subgroup. This article introduces posterior conformal prediction (PCP), which generates prediction intervals with both marginal and approximate conditional validity for clusters (or subgroups) naturally discovered in the data. PCP achieves these guarantees by modelling the conditional nonconformity score distribution as a mixture of cluster distributions. Compared to other methods with approximate conditional validity, this approach produces tighter intervals, particularly when the test data is drawn from clusters that are well represented in the validation data. PCP can also be applied to guarantee conditional coverage on user-specified subgroups, in which case it further ensures coverage for underrepresented individuals in each subgroup. When the response variable is categorical, PCP can adjust the coverage level based on the classifier's predictive probabilities, yielding low-cardinality prediction sets if the classifier is well calibrated. We demonstrate enhanced performance on datasets from socioeconomics, materials science, and healthcare.

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One-Step Generative Modeling via Wasserstein Gradient Flows

Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256$\times$256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100$\times$ faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.

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Enhancing a Risk Model by Adding Transient Statistical Factors

Estimating the covariance of asset returns, i.e., the risk model, is a key component of financial portfolio construction and evaluation. Most risk modeling approaches produce a factor model that decomposes the asset variability into two components: the first attributed to a small number of factors that are common among the assets and the second attributed to the idiosyncratic behavior of each asset. Third-party providers typically provide risk models to investors, and while these models are typically of high quality, they may fail to capture important information, e.g., changing market regimes and transient factors. To overcome these limitations, we propose a systematic method based on maximum likelihood estimation to enhance an existing factor model by both refining the given model and adding new statistical factors. Our approach relies only on the observed sequence of realized returns and on the choice of two hyperparameters: the number of additional factors and the half-life parameter that determines the weights assigned to returns in the log-likelihood objective. Importantly, our methodology applies to the situation where asset returns may be missing, making it suitable for typical equity datasets. We demonstrate our approach on the Barra short-term US risk model, a high-quality risk model used in practice, for a universe of US high-capitalization equities. We show that the proposed extension captures structure in the returns that is missed by the original model.

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Efficient Evaluation of LLM Performance with Statistical Guarantees

Exhaustively evaluating many large language models (LLMs) on a large suite of benchmarks is expensive. We cast benchmarking as finite-population inference and, under a fixed query budget, seek tight confidence intervals (CIs) for model accuracy with valid frequentist coverage. We propose Factorized Active Querying (FAQ), which (a) leverages historical information through a Bayesian factor model; (b) adaptively selects questions using a hybrid variance-reduction/active-learning sampling policy; and (c) maintains validity through Proactive Active Inference -- a finite-population extension of active inference (Zrnic & Candès, 2024) that enables direct question selection while preserving coverage. With negligible overhead cost, FAQ delivers up to $5\times$ effective sample size gains over strong baselines on two benchmark suites, across varying historical-data missingness levels: this means that it matches the CI width of uniform sampling while using up to $5\times$ fewer queries. We release our source code and our curated datasets to support reproducible evaluation and future research.

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FUSE: Ensembling Verifiers with Zero Labeled Data

Verification of model outputs is rapidly emerging as a key primitive for both training and real-world deployment of large language models (LLMs). In practice, this often involves using imperfect LLM judges and reward models since ground truth acquisition can be time-consuming and expensive. We introduce Fully Unsupervised Score Ensembling (FUSE), a method for improving verification quality by ensembling verifiers without access to ground truth correctness labels. The key idea behind FUSE is to control conditional dependencies between verifiers in a manner that improves the unsupervised performance of a class of spectral algorithms from the ensembling literature. Despite requiring zero ground truth labels, FUSE typically matches or improves upon semi-supervised alternatives in test-time scaling experiments with diverse sets of generator models, verifiers, and benchmarks. In particular, we validate our method on both conventional academic benchmarks such as GPQA Diamond and on frontier, unsaturated benchmarks such as Humanity's Last Exam and IMO Shortlist questions.

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Active Statistical Inference

Inspired by the concept of active learning, we propose active inference$\unicode{x2013}$a methodology for statistical inference with machine-learning-assisted data collection. Assuming a budget on the number of labels that can be collected, the methodology uses a machine learning model to identify which data points would be most beneficial to label, thus effectively utilizing the budget. It operates on a simple yet powerful intuition: prioritize the collection of labels for data points where the model exhibits uncertainty, and rely on the model's predictions where it is confident. Active inference constructs provably valid confidence intervals and hypothesis tests while leveraging any black-box machine learning model and handling any data distribution. The key point is that it achieves the same level of accuracy with far fewer samples than existing baselines relying on non-adaptively-collected data. This means that for the same number of collected samples, active inference enables smaller confidence intervals and more powerful p-values. We evaluate active inference on datasets from public opinion research, census analysis, and proteomics.

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Correcting the Coverage Bias of Quantile Regression

We develop a collection of methods for adjusting the predictions of quantile regression to ensure coverage. Our methods are model agnostic and can be used to correct for high-dimensional overfitting bias with only minimal assumptions. Theoretical results show that the estimates we develop are consistent and facilitate accurate calibration in the proportional asymptotic regime where the ratio of the dimension of the data and the sample size converges to a constant. This is further confirmed by experiments on both simulated and real data. A key component of our work is a new connection between the leave-one-out coverage and the fitted values of variables appearing in a dual formulation of the quantile regression problem. This facilitates the use of cross-validation in a variety of settings at significantly reduced computational costs.

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Probably Approximately Correct Labels

Obtaining high-quality labeled datasets is often costly, requiring either human annotation or expensive experiments. In theory, powerful pre-trained AI models provide an opportunity to automatically label datasets and save costs. Unfortunately, these models come with no guarantees on their accuracy, making wholesale replacement of manual labeling impractical. In this work, we propose a method for leveraging pre-trained AI models to curate cost-effective and high-quality datasets. In particular, our approach results in probably approximately correct labels: with high probability, the overall labeling error is small. Our method is nonasymptotically valid under minimal assumptions on the dataset or the AI model being studied, and thus enables rigorous yet efficient dataset curation using modern AI models. We demonstrate the benefits of the methodology through text annotation with large language models, image labeling with pre-trained vision models, and protein folding analysis with AlphaFold.

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RandALO: Out-of-sample risk estimation in no time flat

Estimating out-of-sample risk for models trained on large high-dimensional datasets is an expensive but essential part of the machine learning process, enabling practitioners to optimally tune hyperparameters. Cross-validation (CV) serves as the de facto standard for risk estimation but poorly trades off high bias ($K$-fold CV) for computational cost (leave-one-out CV). We propose a randomized approximate leave-one-out (RandALO) risk estimator that is not only a consistent estimator of risk in high dimensions but also less computationally expensive than $K$-fold CV. We support our claims with extensive simulations on synthetic and real data and provide a user-friendly Python package implementing RandALO available on PyPI as randalo and at https://github.com/cvxgrp/randalo.

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Characterizing the Training-Conditional Coverage of Full Conformal Inference in High Dimensions

We study the coverage properties of full conformal regression in the proportional asymptotic regime where the ratio of the dimension and the sample size converges to a constant. In this setting, existing theory tells us only that full conformal inference is unbiased, in the sense that its average coverage lies at the desired level when marginalized over both the new test point and the training data. Considerably less is known about the behaviour of these methods conditional on the training set. As a result, the exact benefits of full conformal inference over much simpler alternative methods is unclear. This paper investigates the behaviour of full conformal inference and natural uncorrected alternatives for a broad class of $L_2$-regularized linear regression models. We show that in the proportional asymptotic regime the training-conditional coverage of full conformal inference concentrates at the target value. On the other hand, simple alternatives that directly compare test and training residuals realize constant undercoverage bias. While these results demonstrate the necessity of full conformal in correcting for high-dimensional overfitting, we also show that this same methodology is redundant for the related task of tuning the regularization level. In particular, we show that full conformal inference still yields asymptotically valid coverage when the regularization level is selected using only the training set, without consideration of the test point. Simulations show that our asymptotic approximations are accurate in finite samples and can be readily extended to other popular full conformal variants, such as full conformal quantile regression and the LASSO, that do not directly meet our assumptions.

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Can Unconfident LLM Annotations Be Used for Confident Conclusions?

Large language models (LLMs) have shown high agreement with human raters across a variety of tasks, demonstrating potential to ease the challenges of human data collection. In computational social science (CSS), researchers are increasingly leveraging LLM annotations to complement slow and expensive human annotations. Still, guidelines for collecting and using LLM annotations, without compromising the validity of downstream conclusions, remain limited. We introduce Confidence-Driven Inference: a method that combines LLM annotations and LLM confidence indicators to strategically select which human annotations should be collected, with the goal of producing accurate statistical estimates and provably valid confidence intervals while reducing the number of human annotations needed. Our approach comes with safeguards against LLM annotations of poor quality, guaranteeing that the conclusions will be both valid and no less accurate than if we only relied on human annotations. We demonstrate the effectiveness of Confidence-Driven Inference over baselines in statistical estimation tasks across three CSS settings--text politeness, stance, and bias--reducing the needed number of human annotations by over 25% in each. Although we use CSS settings for demonstration, Confidence-Driven Inference can be used to estimate most standard quantities across a broad range of NLP problems.

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Boosted Conformal Prediction Intervals

This paper introduces a boosted conformal procedure designed to tailor conformalized prediction intervals toward specific desired properties, such as enhanced conditional coverage or reduced interval length. We employ machine learning techniques, notably gradient boosting, to systematically improve upon a predefined conformity score function. This process is guided by carefully constructed loss functions that measure the deviation of prediction intervals from the targeted properties. The procedure operates post-training, relying solely on model predictions and without modifying the trained model (e.g., the deep network). Systematic experiments demonstrate that starting from conventional conformal methods, our boosted procedure achieves substantial improvements in reducing interval length and decreasing deviation from target conditional coverage.

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Large language model validity via enhanced conformal prediction methods

We develop new conformal inference methods for obtaining validity guarantees on the output of large language models (LLMs). Prior work in conformal language modeling identifies a subset of the text that satisfies a high-probability guarantee of correctness. These methods work by filtering claims from the LLM's original response if a scoring function evaluated on the claim fails to exceed a threshold calibrated via split conformal prediction. Existing methods in this area suffer from two deficiencies. First, the guarantee stated is not conditionally valid. The trustworthiness of the filtering step may vary based on the topic of the response. Second, because the scoring function is imperfect, the filtering step can remove many valuable and accurate claims. We address both of these challenges via two new conformal methods. First, we generalize the conditional conformal procedure of Gibbs et al. (2023) in order to adaptively issue weaker guarantees when they are required to preserve the utility of the output. Second, we show how to systematically improve the quality of the scoring function via a novel algorithm for differentiating through the conditional conformal procedure. We demonstrate the efficacy of our approach on biography and medical question-answering datasets.

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Conformal Prediction With Conditional Guarantees

We consider the problem of constructing distribution-free prediction sets with finite-sample conditional guarantees. Prior work has shown that it is impossible to provide exact conditional coverage universally in finite samples. Thus, most popular methods only guarantee marginal coverage over the covariates or are restricted to a limited set of conditional targets, e.g. coverage over a finite set of pre-specified subgroups. This paper bridges this gap by defining a spectrum of problems that interpolate between marginal and conditional validity. We motivate these problems by reformulating conditional coverage as coverage over a class of covariate shifts. When the target class of shifts is finite-dimensional, we show how to simultaneously obtain exact finite-sample coverage over all possible shifts. For example, given a collection of subgroups, our prediction sets guarantee coverage over each group. For more flexible, infinite-dimensional classes where exact coverage is impossible, we provide a procedure for quantifying the coverage errors of our algorithm. Moreover, by tuning interpretable hyperparameters, we allow the practitioner to control the size of these errors across shifts of interest. Our methods can be incorporated into existing split conformal inference pipelines, and thus can be used to quantify the uncertainty of modern black-box algorithms without distributional assumptions.

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Cross-Prediction-Powered Inference

While reliable data-driven decision-making hinges on high-quality labeled data, the acquisition of quality labels often involves laborious human annotations or slow and expensive scientific measurements. Machine learning is becoming an appealing alternative as sophisticated predictive techniques are being used to quickly and cheaply produce large amounts of predicted labels; e.g., predicted protein structures are used to supplement experimentally derived structures, predictions of socioeconomic indicators from satellite imagery are used to supplement accurate survey data, and so on. Since predictions are imperfect and potentially biased, this practice brings into question the validity of downstream inferences. We introduce cross-prediction: a method for valid inference powered by machine learning. With a small labeled dataset and a large unlabeled dataset, cross-prediction imputes the missing labels via machine learning and applies a form of debiasing to remedy the prediction inaccuracies. The resulting inferences achieve the desired error probability and are more powerful than those that only leverage the labeled data. Closely related is the recent proposal of prediction-powered inference, which assumes that a good pre-trained model is already available. We show that cross-prediction is consistently more powerful than an adaptation of prediction-powered inference in which a fraction of the labeled data is split off and used to train the model. Finally, we observe that cross-prediction gives more stable conclusions than its competitors; its confidence intervals typically have significantly lower variability.

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Model-free selective inference under covariate shift via weighted conformal p-values

This paper introduces novel weighted conformal p-values and methods for model-free selective inference. The problem is as follows: given test units with covariates $X$ and missing responses $Y$, how do we select units for which the responses $Y$ are larger than user-specified values while controlling the proportion of false positives? Can we achieve this without any modeling assumptions on the data and without any restriction on the model for predicting the responses? Last, methods should be applicable when there is a covariate shift between training and test data, which commonly occurs in practice. We answer these questions by first leveraging any prediction model to produce a class of well-calibrated weighted conformal p-values, which control the type-I error in detecting a large response. These p-values cannot be passed on to classical multiple testing procedures since they may not obey a well-known positive dependence property. Hence, we introduce weighted conformalized selection (WCS), a new procedure which controls false discovery rate (FDR) in finite samples. Besides prediction-assisted candidate selection, WCS (1) allows to infer multiple individual treatment effects, and (2) extends to outlier detection with inlier distributions shifts. We demonstrate performance via simulations and applications to causal inference, drug discovery, and outlier detection datasets.

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