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Stephen Bates

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17 papers

2 author rows

ICML Conference 2025 Conference Paper

Contextual Online Decision Making with Infinite-Dimensional Functional Regression

Haichen Hu
Rui Ai 0004
Stephen Bates
David Simchi-Levi

Contextual sequential decision-making is fundamental to machine learning, with applications in bandits, sequential hypothesis testing, and online risk control. These tasks often rely on statistical measures like expectation, variance, and quantiles. In this paper, we propose a universal algorithmic framework that learns the full underlying distribution, enabling a unified approach to all contextual online decision-making problems. The challenge lies in the uncountably infinite-dimensional regression, where existing contextual bandit algorithms all yield infinite regret. We innovatively propose an efficient infinite-dimensional functional regression oracle for contextual cumulative distribution functions (CDFs) and model every datum as a combination of context-dependent CDF basis functions. Our analysis reveals that the decay rate of the eigenvalue sequence of the design integral operator governs the regression error rate, and consequently, the utility regret rate. Specifically, when the eigenvalue sequence exhibits a polynomial decay of order $\frac{1}{\gamma}\ge 1$, the utility regret is bounded by $\tilde{O}( T^{\frac{3\gamma+2}{2(\gamma+2)}})$. The case that $\gamma=0$ can recover the existing optimal rate in contextual bandits literature with finite-dimensional regression and so as exponential decay. We also provide a numerical method to compute the eigenvalue sequence of integral operators, enabling the practical implementation of our framework.

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NeurIPS Conference 2025 Conference Paper

Learning Diffusion Models with Flexible Representation Guidance

Chenyu Wang
Cai Zhou
Sharut Gupta
Johnson Lin
Stefanie Jegelka
Stephen Bates
Tommi Jaakkola

Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of pre-trained models improves generation quality. In this paper, we present a systematic framework for incorporating representation guidance into diffusion models. We provide alternative decompositions of denoising models along with their associated training criteria, where the decompositions determine when and how the auxiliary representations are incorporated. Guided by our theoretical insights, we introduce two new strategies for enhancing representation alignment in diffusion models. First, we pair examples with target representations either derived from themselves or arisen from different synthetic modalities, and subsequently learn a joint model over the multimodal pairs. Second, we design an optimal training curriculum that balances representation learning and data generation. Our experiments across image, protein sequence, and molecule generation tasks demonstrate superior performance as well as accelerated training. In particular, on the class-conditional ImageNet $256\times 256$ benchmark, our guidance results in $23. 3$ times faster training than the original SiT-XL as well as four times speedup over the state-of-the-art method REPA.

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NeurIPS Conference 2025 Conference Paper

Next Semantic Scale Prediction via Hierarchical Diffusion Language Models

Cai Zhou
Chenyu Wang
Dinghuai Zhang
Shangyuan Tong
Yifei Wang
Stephen Bates
Tommi Jaakkola

In this paper we introduce Hierarchical Diffusion Language Models (HDLM) -- a novel family of discrete diffusion models for language modeling. HDLM builds on a hierarchical vocabulary where low-level tokens with detailed semantics are surjectively mapped to high-level tokens with coarse-grained meanings. In the forward process, each token is independently perturbed to its higher-level ancestor with more abstract semantics according to the scheduler, while in the reverse process the model progressively predicts the next, more detailed semantics. Taken together, HDLM provides a general time-varying next semantic scale prediction process for language modeling. We derive closed-form expressions for the diffusion Evidence Lower Bound (ELBO), and show that HDLM can be implemented in a flexible manner while including the existing MDLM as a special case. We also propose practical training techniques based on the insights. Extensive text generation experiments validate the effectiveness of HDLM, which demonstrates consistently lower validation and generative perplexity than baselines.

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NeurIPS Conference 2025 Conference Paper

Smooth Sailing: Lipschitz-Driven Uncertainty Quantification for Spatial Associations

David Burt
Renato Berlinghieri
Stephen Bates
Tamara Broderick

Estimating associations between spatial covariates and responses — rather than merely predicting responses — is central to environmental science, epidemiology, and economics. For instance, public health officials might be interested in whether air pollution has a strictly positive association with a health outcome, and the magnitude of any effect. Standard machine learning methods often provide accurate predictions but offer limited insight into covariate-response relationships. And we show that existing methods for constructing confidence (or credible) intervals for associations can fail to provide nominal coverage in the face of model misspecification and nonrandom locations — despite both being essentially always present in spatial problems. We introduce a method that constructs valid frequentist confidence intervals for associations in spatial settings. Our method requires minimal assumptions beyond a form of spatial smoothness and a homoskedastic Gaussian error assumption. In particular, we do not require model correctness or covariate overlap between training and target locations. Our approach is the first to guarantee nominal coverage in this setting and outperforms existing techniques in both real and simulated experiments. Our confidence intervals are valid in finite samples when the noise of the Gaussian error is known, and we provide an asymptotically consistent estimation procedure for this noise variance when it is unknown.

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ICLR Conference 2024 Conference Paper

Conformal Risk Control

Anastasios N. Angelopoulos
Stephen Bates
Adam Fisch
Lihua Lei
Tal Schuster

We extend conformal prediction to control the expected value of any monotone loss function. The algorithm generalizes split conformal prediction together with its coverage guarantee. Like conformal prediction, the conformal risk control procedure is tight up to an $\mathcal{O}(1/n)$ factor. We also introduce extensions of the idea to distribution shift, quantile risk control, multiple and adversarial risk control, and expectations of U-statistics. Worked examples from computer vision and natural language processing demonstrate the usage of our algorithm to bound the false negative rate, graph distance, and token-level F1-score.

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JMLR Journal 2024 Journal Article

Label Noise Robustness of Conformal Prediction

Bat-Sheva Einbinder
Shai Feldman
Stephen Bates
Anastasios N. Angelopoulos
Asaf Gendler
Yaniv Romano

We study the robustness of conformal prediction, a powerful tool for uncertainty quantification, to label noise. Our analysis tackles both regression and classification problems, characterizing when and how it is possible to construct uncertainty sets that correctly cover the unobserved noiseless ground truth labels. We further extend our theory and formulate the requirements for correctly controlling a general loss function, such as the false negative proportion, with noisy labels. Our theory and experiments suggest that conformal prediction and risk-controlling techniques with noisy labels attain conservative risk over the clean ground truth labels whenever the noise is dispersive and increases variability. In other adversarial cases, we can also correct for noise of bounded size in the conformal prediction algorithm in order to ensure achieving the correct risk of the ground truth labels without score or data regularity. [abs] [ pdf ][ bib ] &copy JMLR 2024. ( edit, beta )

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ICML Conference 2024 Conference Paper

Online conformal prediction with decaying step sizes

Anastasios N. Angelopoulos
Rina Barber
Stephen Bates

We introduce a method for online conformal prediction with decaying step sizes. Like previous methods, ours possesses a retrospective guarantee of coverage for arbitrary sequences. However, unlike previous methods, we can simultaneously estimate a population quantile when it exists. Our theory and experiments indicate substantially improved practical properties: in particular, when the distribution is stable, the coverage is close to the desired level for every time point, not just on average over the observed sequence.

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TMLR Journal 2023 Journal Article

Achieving Risk Control in Online Learning Settings

Shai Feldman
Liran Ringel
Stephen Bates
Yaniv Romano

To provide rigorous uncertainty quantification for online learning models, we develop a framework for constructing uncertainty sets that provably control risk---such as coverage of confidence intervals, false negative rate, or F1 score---in the online setting. This extends conformal prediction to apply to a larger class of online learning problems. Our method guarantees risk control at any user-specified level even when the underlying data distribution shifts drastically, even adversarially, over time in an unknown fashion. The technique we propose is highly flexible as it can be applied with any base online learning algorithm (e.g., a deep neural network trained online), requiring minimal implementation effort and essentially zero additional computational cost. We further extend our approach to control multiple risks simultaneously, so the prediction sets we generate are valid for all given risks. To demonstrate the utility of our method, we conduct experiments on real-world tabular time-series data sets showing that the proposed method rigorously controls various natural risks. Furthermore, we show how to construct valid intervals for an online image-depth estimation problem that previous sequential calibration schemes cannot handle.

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JMLR Journal 2023 Journal Article

Calibrated Multiple-Output Quantile Regression with Representation Learning

Shai Feldman
Stephen Bates
Yaniv Romano

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques. [abs] [ pdf ][ bib ] [ code ] &copy JMLR 2023. ( edit, beta )

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NeurIPS Conference 2023 Conference Paper

Class-Conditional Conformal Prediction with Many Classes

Tiffany Ding
Anastasios Angelopoulos
Stephen Bates
Michael Jordan
Ryan J. Tibshirani

Standard conformal prediction methods provide a marginal coverage guarantee, which means that for a random test point, the conformal prediction set contains the true label with a user-specified probability. In many classificationproblems, we would like to obtain a stronger guarantee--that for test pointsof a specific class, the prediction set contains the true label with thesame user-chosen probability. For the latter goal, existing conformal predictionmethods do not work well when there is a limited amount of labeled data perclass, as is often the case in real applications where the number of classes islarge. We propose a method called clustered conformal prediction thatclusters together classes having "similar" conformal scores and performs conformal prediction at the cluster level. Based on empirical evaluation acrossfour image data sets with many (up to 1000) classes, we find that clusteredconformal typically outperforms existing methods in terms of class-conditionalcoverage and set size metrics.

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ICML Conference 2022 Conference Paper

Image-to-Image Regression with Distribution-Free Uncertainty Quantification and Applications in Imaging

Anastasios N. Angelopoulos
Amit Pal Singh Kohli
Stephen Bates
Michael I. Jordan
Jitendra Malik
Thayer Alshaabi
Srigokul Upadhyayula
Yaniv Romano

Image-to-image regression is an important learning task, used frequently in biological imaging. Current algorithms, however, do not generally offer statistical guarantees that protect against a model’s mistakes and hallucinations. To address this, we develop uncertainty quantification techniques with rigorous statistical guarantees for image-to-image regression problems. In particular, we show how to derive uncertainty intervals around each pixel that are guaranteed to contain the true value with a user-specified confidence probability. Our methods work in conjunction with any base machine learning model, such as a neural network, and endow it with formal mathematical guarantees{—}regardless of the true unknown data distribution or choice of model. Furthermore, they are simple to implement and computationally inexpensive. We evaluate our procedure on three image-to-image regression tasks: quantitative phase microscopy, accelerated magnetic resonance imaging, and super-resolution transmission electron microscopy of a Drosophila melanogaster brain.

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NeurIPS Conference 2022 Conference Paper

Robust Calibration with Multi-domain Temperature Scaling

Yaodong Yu
Stephen Bates
Yi Ma
Michael Jordan

Uncertainty quantification is essential for the reliable deployment of machine learning models to high-stakes application domains. Uncertainty quantification is all the more challenging when training distribution and test distribution are different, even if the distribution shifts are mild. Despite the ubiquity of distribution shifts in real-world applications, existing uncertainty quantification approaches mainly study the in-distribution setting where the train and test distributions are the same. In this paper, we develop a systematic calibration model to handle distribution shifts by leveraging data from multiple domains. Our proposed method---multi-domain temperature scaling---uses the heterogeneity in the domains to improve calibration robustness under distribution shift. Through experiments on three benchmark data sets, we find our proposed method outperforms existing methods as measured on both in-distribution and out-of-distribution test sets.

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NeurIPS Conference 2022 Conference Paper

Semantic uncertainty intervals for disentangled latent spaces

Swami Sankaranarayanan
Anastasios Angelopoulos
Stephen Bates
Yaniv Romano
Phillip Isola

Meaningful uncertainty quantification in computer vision requires reasoning about semantic information---say, the hair color of the person in a photo or the location of a car on the street. To this end, recent breakthroughs in generative modeling allow us to represent semantic information in disentangled latent spaces, but providing uncertainties on the semantic latent variables has remained challenging. In this work, we provide principled uncertainty intervals that are guaranteed to contain the true semantic factors for any underlying generative model. The method does the following: (1) it uses quantile regression to output a heuristic uncertainty interval for each element in the latent space (2) calibrates these uncertainties such that they contain the true value of the latent for a new, unseen input. The endpoints of these calibrated intervals can then be propagated through the generator to produce interpretable uncertainty visualizations for each semantic factor. This technique reliably communicates semantically meaningful, principled, and instance-adaptive uncertainty in inverse problems like image super-resolution and image completion. Project page: https: //swamiviv. github. io/semantic uncertainty intervals/

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NeurIPS Conference 2021 Conference Paper

Improving Conditional Coverage via Orthogonal Quantile Regression

Shai Feldman
Stephen Bates
Yaniv Romano

We develop a method to generate prediction intervals that have a user-specified coverage level across all regions of feature-space, a property called conditional coverage. A typical approach to this task is to estimate the conditional quantiles with quantile regression---it is well-known that this leads to correct coverage in the large-sample limit, although it may not be accurate in finite samples. We find in experiments that traditional quantile regression can have poor conditional coverage. To remedy this, we modify the loss function to promote independence between the size of the intervals and the indicator of a miscoverage event. For the true conditional quantiles, these two quantities are independent (orthogonal), so the modified loss function continues to be valid. Moreover, we empirically show that the modified loss function leads to improved conditional coverage, as evaluated by several metrics. We also introduce two new metrics that check conditional coverage by looking at the strength of the dependence between the interval size and the indicator of miscoverage.

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NeurIPS Conference 2021 Conference Paper

Test-time Collective Prediction

Celestine Mendler-Dünner
Wenshuo Guo
Stephen Bates
Michael Jordan

An increasingly common setting in machine learning involves multiple parties, each with their own data, who want to jointly make predictions on future test points. Agents wish to benefit from the collective expertise of the full set of agents to make better predictions than they would individually, but may not be willing to release labeled data or model parameters. In this work, we explore a decentralized mechanism to make collective predictions at test time, that is inspired by the literature in social science on human consensus-making. Building on a query model to facilitate information exchange among agents, our approach leverages each agent’s pre-trained model without relying on external validation, model retraining, or data pooling. A theoretical analysis shows that our approach recovers inverse mean-squared-error (MSE) weighting in the large-sample limit which is known to be the optimal way to combine independent, unbiased estimators. Empirically, we demonstrate that our scheme effectively combines models with differing quality across the input space: the proposed consensus prediction achieves significant gains over classical model averaging, and even outperforms weighted averaging schemes that have access to additional validation data. Finally, we propose a decentralized Jackknife procedure as a tool to evaluate the sensitivity of the collective predictions with respect to a single agent's opinion.

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ICLR Conference 2021 Conference Paper

Uncertainty Sets for Image Classifiers using Conformal Prediction

Anastasios N. Angelopoulos
Stephen Bates
Michael I. Jordan
Jitendra Malik

Convolutional image classifiers can achieve high predictive accuracy, but quanti fying their uncertainty remains an unresolved challenge, hindering their deployment in consequential settings. Existing uncertainty quantification techniques, such as Platt scaling, attempt to calibrate the network’s probability estimates, but they do not have formal guarantees. We present an algorithm that modifies any classifier to output a predictive set containing the true label with a user-specified probability, such as 90%. The algorithm is simple and fast like Platt scaling, but provides a formal finite-sample coverage guarantee for every model and dataset. Our method modifies an existing conformal prediction algorithm to give more sta ble predictive sets by regularizing the small scores of unlikely classes after Platt scaling. In experiments on both Imagenet and Imagenet-V2 with ResNet-152 and other classifiers, our scheme outperforms existing approaches, achieving coverage with sets that are often factors of 5 to 10 smaller than a stand-alone Platt scaling baseline.

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NeurIPS Conference 2020 Conference Paper

Achieving Equalized Odds by Resampling Sensitive Attributes

Yaniv Romano
Stephen Bates
Emmanuel Candes

We present a flexible framework for learning predictive models that approximately satisfy the equalized odds notion of fairness. This is achieved by introducing a general discrepancy functional that rigorously quantifies violations of this criterion. This differentiable functional is used as a penalty driving the model parameters towards equalized odds. To rigorously evaluate fitted models, we develop a formal hypothesis test to detect whether a prediction rule violates this property, the first such test in the literature. Both the model fitting and hypothesis testing leverage a resampled version of the sensitive attribute obeying equalized odds, by construction. We demonstrate the applicability and validity of the proposed framework both in regression and multi-class classification problems, reporting improved performance over state-of-the-art methods. Lastly, we show how to incorporate techniques for equitable uncertainty quantification---unbiased for each group under study---to communicate the results of the data analysis in exact terms.

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