arXiv subjects

Maxim Panov

Publications and source records attributed to Maxim Panov.

At least 37 records · Page 2Linked to original sources

arXiv2025

Neural Optimal Transport Meets Multivariate Conformal Prediction

We propose a framework for conditional vector quantile regression (CVQR) that combines neural optimal transport with amortized optimization, and apply it to multivariate conformal prediction. Classical quantile regression does not extend naturally to multivariate responses, while existing approaches often ignore the geometry of joint distributions. Our method parametrizes the conditional vector quantile function as the gradient of a convex potential implemented by an input-convex neural network, ensuring monotonicity and uniform ranks. To reduce the cost of solving high-dimensional variational problems, we introduced amortized optimization of the dual potentials, yielding efficient training and faster inference. We then exploit the induced multivariate ranks for conformal prediction, constructing distribution-free predictive regions with finite-sample validity. Unlike coordinatewise methods, our approach adapts to the geometry of the conditional distribution, producing tighter and more informative regions. Experiments on benchmark datasets show improved coverage-efficiency trade-offs compared to baselines, highlighting the benefits of integrating neural optimal transport with conformal prediction.

stat.ML↗

arXiv2025

Multidimensional Uncertainty Quantification via Optimal Transport

Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures targeting the same type of uncertainty (e.g., ensemble-based and density-based measures of epistemic uncertainty) may capture different failure modes. We take a multidimensional view on UQ by stacking complementary UQ measures into a vector. Such vectors are assigned with Monge-Kantorovich ranks produced by an optimal-transport-based ordering method. The prediction is then deemed more uncertain than the other if it has a higher rank. The resulting VecUQ-OT algorithm uses entropy-regularized optimal transport. The transport map is learned on vectors of scores from in-distribution data and, by design, applies to unseen inputs, including out-of-distribution cases, without retraining. Our framework supports flexible non-additive uncertainty fusion (including aleatoric and epistemic components). It yields a robust ordering for downstream tasks such as selective prediction, misclassification detection, out-of-distribution detection, and selective generation. Across synthetic, image, and text data, VecUQ-OT shows high efficiency even when individual measures fail. The code for the method is available at: https://github.com/stat-ml/multidimensional_uncertainty.

stat.ML↗

arXiv2025

UNCERTAINTY-LINE: Length-Invariant Estimation of Uncertainty for Large Language Models

Large Language Models (LLMs) have become indispensable tools across various applications, making it more important than ever to ensure the quality and the trustworthiness of their outputs. This has led to growing interest in uncertainty quantification (UQ) methods for assessing the reliability of LLM outputs. Many existing UQ techniques rely on token probabilities, which inadvertently introduces a bias with respect to the length of the output. While some methods attempt to account for this, we demonstrate that such biases persist even in length-normalized approaches. To address the problem, here we propose UNCERTAINTY-LINE: (Length-INvariant Estimation), a simple debiasing procedure that regresses uncertainty scores on output length and uses the residuals as corrected, length-invariant estimates. Our method is post-hoc, model-agnostic, and applicable to a range of UQ measures. Through extensive evaluation on machine translation, summarization, and question-answering tasks, we demonstrate that UNCERTAINTY-LINE: consistently improves over even nominally length-normalized UQ methods uncertainty estimates across multiple metrics and models.

cs.CL↗

arXiv2025

Screener: Self-supervised Pathology Segmentation in Medical CT Images

Accurate detection of all pathological findings in 3D medical images remains a significant challenge, as supervised models are limited to detecting only the few pathology classes annotated in existing datasets. To address this, we frame pathology detection as an unsupervised visual anomaly segmentation (UVAS) problem, leveraging the inherent rarity of pathological patterns compared to healthy ones. We enhance the existing density-based UVAS framework with two key innovations: (1) dense self-supervised learning for feature extraction, eliminating the need for supervised pretraining, and (2) learned, masking-invariant dense features as conditioning variables, replacing hand-crafted positional encodings. Trained on over 30,000 unlabeled 3D CT volumes, our fully self-supervised model, Screener, outperforms existing UVAS methods on four large-scale test datasets comprising 1,820 scans with diverse pathologies. Furthermore, in a supervised fine-tuning setting, Screener surpasses existing self-supervised pretraining methods, establishing it as a state-of-the-art foundation for pathology segmentation. The code and pretrained models will be made publicly available.

cs.CV↗

arXiv2025

Rectifying Conformity Scores for Better Conditional Coverage

We present a new method for generating confidence sets within the split conformal prediction framework. Our method performs a trainable transformation of any given conformity score to improve conditional coverage while ensuring exact marginal coverage. The transformation is based on an estimate of the conditional quantile of conformity scores. The resulting method is particularly beneficial for constructing adaptive confidence sets in multi-output problems where standard conformal quantile regression approaches have limited applicability. We develop a theoretical bound that captures the influence of the accuracy of the quantile estimate on the approximate conditional validity, unlike classical bounds for conformal prediction methods that only offer marginal coverage. We experimentally show that our method is highly adaptive to the local data structure and outperforms existing methods in terms of conditional coverage, improving the reliability of statistical inference in various applications.

stat.ML↗

arXiv2025

Benchmarking Uncertainty Quantification Methods for Large Language Models with LM-Polygraph

The rapid proliferation of large language models (LLMs) has stimulated researchers to seek effective and efficient approaches to deal with LLM hallucinations and low-quality outputs. Uncertainty quantification (UQ) is a key element of machine learning applications in dealing with such challenges. However, research to date on UQ for LLMs has been fragmented in terms of techniques and evaluation methodologies. In this work, we address this issue by introducing a novel benchmark that implements a collection of state-of-the-art UQ baselines and offers an environment for controllable and consistent evaluation of novel UQ techniques over various text generation tasks. Our benchmark also supports the assessment of confidence normalization methods in terms of their ability to provide interpretable scores. Using our benchmark, we conduct a large-scale empirical investigation of UQ and normalization techniques across eleven tasks, identifying the most effective approaches. Code: https://github.com/IINemo/lm-polygraph Benchmark: https://huggingface.co/LM-Polygraph

cs.CL↗

arXiv2025

Optimal Noise Reduction in Dense Mixed-Membership Stochastic Block Models under Diverging Spiked Eigenvalues Condition

Community detection is one of the most critical problems in modern network science. Its applications can be found in various fields, from protein modeling to social network analysis. Recently, many papers appeared studying the problem of overlapping community detection, where each node of a network may belong to several communities. In this work, we consider Mixed-Membership Stochastic Block Model (MMSB) first proposed by Airoldi et al. MMSB provides quite a general setting for modeling overlapping community structure in graphs. The central question of this paper is to reconstruct relations between communities given an observed network. We compare different approaches and establish the minimax lower bound on the estimation error. Then, we propose a new estimator that matches this lower bound. Theoretical results are proved under fairly general conditions on the considered model. Finally, we illustrate the theory in a series of experiments.

stat.ML↗

arXiv2025

Token-Level Density-Based Uncertainty Quantification Methods for Eliciting Truthfulness of Large Language Models

Uncertainty quantification (UQ) is a prominent approach for eliciting truthful answers from large language models (LLMs). To date, information-based and consistency-based UQ have been the dominant UQ methods for text generation via LLMs. Density-based methods, despite being very effective for UQ in text classification with encoder-based models, have not been very successful with generative LLMs. In this work, we adapt Mahalanobis Distance (MD) - a well-established UQ technique in classification tasks - for text generation and introduce a new supervised UQ method. Our method extracts token embeddings from multiple layers of LLMs, computes MD scores for each token, and uses linear regression trained on these features to provide robust uncertainty scores. Through extensive experiments on eleven datasets, we demonstrate that our approach substantially improves over existing UQ methods, providing accurate and computationally efficient uncertainty scores for both sequence-level selective generation and claim-level fact-checking tasks. Our method also exhibits strong generalization to out-of-domain data, making it suitable for a wide range of LLM-based applications.

cs.CL↗

arXiv2025

Uncertainty-aware abstention in medical diagnosis based on medical texts

This study addresses the critical issue of reliability for AI-assisted medical diagnosis. We focus on the selection prediction approach that allows the diagnosis system to abstain from providing the decision if it is not confident in the diagnosis. Such selective prediction (or abstention) approaches are usually based on the modeling predictive uncertainty of machine learning models involved. This study explores uncertainty quantification in machine learning models for medical text analysis, addressing diverse tasks across multiple datasets. We focus on binary mortality prediction from textual data in MIMIC-III, multi-label medical code prediction using ICD-10 codes from MIMIC-IV, and multi-class classification with a private outpatient visits dataset. Additionally, we analyze mental health datasets targeting depression and anxiety detection, utilizing various text-based sources, such as essays, social media posts, and clinical descriptions. In addition to comparing uncertainty methods, we introduce HUQ-2, a new state-of-the-art method for enhancing reliability in selective prediction tasks. Our results provide a detailed comparison of uncertainty quantification methods. They demonstrate the effectiveness of HUQ-2 in capturing and evaluating uncertainty, paving the way for more reliable and interpretable applications in medical text analysis.

cs.CL↗

arXiv2025

From Risk to Uncertainty: Generating Predictive Uncertainty Measures via Bayesian Estimation

There are various measures of predictive uncertainty in the literature, but their relationships to each other remain unclear. This paper uses a decomposition of statistical pointwise risk into components, associated with different sources of predictive uncertainty, namely aleatoric uncertainty (inherent data variability) and epistemic uncertainty (model-related uncertainty). Together with Bayesian methods, applied as an approximation, we build a framework that allows one to generate different predictive uncertainty measures. We validate our method on image datasets by evaluating its performance in detecting out-of-distribution and misclassified instances using the AUROC metric. The experimental results confirm that the measures derived from our framework are useful for the considered downstream tasks.

stat.ML↗

arXiv2025

Learning Confident Classifiers in the Presence of Label Noise

The success of Deep Neural Network (DNN) models significantly depends on the quality of provided annotations. In medical image segmentation, for example, having multiple expert annotations for each data point is common to minimize subjective annotation bias. Then, the goal of estimation is to filter out the label noise and recover the ground-truth masks, which are not explicitly given. This paper proposes a probabilistic model for noisy observations that allows us to build a confident classification and segmentation models. To accomplish it, we explicitly model label noise and introduce a new information-based regularization that pushes the network to recover the ground-truth labels. In addition, for segmentation task we adjust the loss function by prioritizing learning in high-confidence regions where all the annotators agree on labeling. We evaluate the proposed method on a series of classification tasks such as noisy versions of MNIST, CIFAR-10, Fashion-MNIST datasets as well as CIFAR-10N, which is real-world dataset with noisy human annotations. Additionally, for segmentation task, we consider several medical imaging datasets, such as, LIDC and RIGA that reflect real-world inter-variability among multiple annotators. Our experiments show that our algorithm outperforms state-of-the-art solutions for the considered classification and segmentation problems.

cs.CV↗

arXiv2024

Reference-free Hallucination Detection for Large Vision-Language Models

Large vision-language models (LVLMs) have made significant progress in recent years. While LVLMs exhibit excellent ability in language understanding, question answering, and conversations of visual inputs, they are prone to producing hallucinations. While several methods are proposed to evaluate the hallucinations in LVLMs, most are reference-based and depend on external tools, which complicates their practical application. To assess the viability of alternative methods, it is critical to understand whether the reference-free approaches, which do not rely on any external tools, can efficiently detect hallucinations. Therefore, we initiate an exploratory study to demonstrate the effectiveness of different reference-free solutions in detecting hallucinations in LVLMs. In particular, we conduct an extensive study on three kinds of techniques: uncertainty-based, consistency-based, and supervised uncertainty quantification methods on four representative LVLMs across two different tasks. The empirical results show that the reference-free approaches are capable of effectively detecting non-factual responses in LVLMs, with the supervised uncertainty quantification method outperforming the others, achieving the best performance across different settings.

cs.CL↗

arXiv2024

Probabilistic Conformal Prediction with Approximate Conditional Validity

We develop a new method for generating prediction sets that combines the flexibility of conformal methods with an estimate of the conditional distribution $P_{Y \mid X}$. Existing methods, such as conformalized quantile regression and probabilistic conformal prediction, usually provide only a marginal coverage guarantee. In contrast, our approach extends these frameworks to achieve approximately conditional coverage, which is crucial for many practical applications. Our prediction sets adapt to the behavior of the predictive distribution, making them effective even under high heteroscedasticity. While exact conditional guarantees are infeasible without assumptions on the underlying data distribution, we derive non-asymptotic bounds that depend on the total variation distance of the conditional distribution and its estimate. Using extensive simulations, we show that our method consistently outperforms existing approaches in terms of conditional coverage, leading to more reliable statistical inference in a variety of applications.

stat.ML↗

arXiv2024

Efficient Conformal Prediction under Data Heterogeneity

Conformal Prediction (CP) stands out as a robust framework for uncertainty quantification, which is crucial for ensuring the reliability of predictions. However, common CP methods heavily rely on data exchangeability, a condition often violated in practice. Existing approaches for tackling non-exchangeability lead to methods that are not computable beyond the simplest examples. This work introduces a new efficient approach to CP that produces provably valid confidence sets for fairly general non-exchangeable data distributions. We illustrate the general theory with applications to the challenging setting of federated learning under data heterogeneity between agents. Our method allows constructing provably valid personalized prediction sets for agents in a fully federated way. The effectiveness of the proposed method is demonstrated in a series of experiments on real-world datasets.

stat.ML↗

arXiv2024

Fact-Checking the Output of Large Language Models via Token-Level Uncertainty Quantification

Large language models (LLMs) are notorious for hallucinating, i.e., producing erroneous claims in their output. Such hallucinations can be dangerous, as occasional factual inaccuracies in the generated text might be obscured by the rest of the output being generally factually correct, making it extremely hard for the users to spot them. Current services that leverage LLMs usually do not provide any means for detecting unreliable generations. Here, we aim to bridge this gap. In particular, we propose a novel fact-checking and hallucination detection pipeline based on token-level uncertainty quantification. Uncertainty scores leverage information encapsulated in the output of a neural network or its layers to detect unreliable predictions, and we show that they can be used to fact-check the atomic claims in the LLM output. Moreover, we present a novel token-level uncertainty quantification method that removes the impact of uncertainty about what claim to generate on the current step and what surface form to use. Our method Claim Conditioned Probability (CCP) measures only the uncertainty of a particular claim value expressed by the model. Experiments on the task of biography generation demonstrate strong improvements for CCP compared to the baselines for seven LLMs and four languages. Human evaluation reveals that the fact-checking pipeline based on uncertainty quantification is competitive with a fact-checking tool that leverages external knowledge.

cs.CL↗

arXiv2024

Generalization error of spectral algorithms

The asymptotically precise estimation of the generalization of kernel methods has recently received attention due to the parallels between neural networks and their associated kernels. However, prior works derive such estimates for training by kernel ridge regression (KRR), whereas neural networks are typically trained with gradient descent (GD). In the present work, we consider the training of kernels with a family of $\textit{spectral algorithms}$ specified by profile $h(λ)$, and including KRR and GD as special cases. Then, we derive the generalization error as a functional of learning profile $h(λ)$ for two data models: high-dimensional Gaussian and low-dimensional translation-invariant model. Under power-law assumptions on the spectrum of the kernel and target, we use our framework to (i) give full loss asymptotics for both noisy and noiseless observations (ii) show that the loss localizes on certain spectral scales, giving a new perspective on the KRR saturation phenomenon (iii) conjecture, and demonstrate for the considered data models, the universality of the loss w.r.t. non-spectral details of the problem, but only in case of noisy observation.

cs.LG↗

arXiv2023

Dirichlet-based Uncertainty Quantification for Personalized Federated Learning with Improved Posterior Networks

In modern federated learning, one of the main challenges is to account for inherent heterogeneity and the diverse nature of data distributions for different clients. This problem is often addressed by introducing personalization of the models towards the data distribution of the particular client. However, a personalized model might be unreliable when applied to the data that is not typical for this client. Eventually, it may perform worse for these data than the non-personalized global model trained in a federated way on the data from all the clients. This paper presents a new approach to federated learning that allows selecting a model from global and personalized ones that would perform better for a particular input point. It is achieved through a careful modeling of predictive uncertainties that helps to detect local and global in- and out-of-distribution data and use this information to select the model that is confident in a prediction. The comprehensive experimental evaluation on the popular real-world image datasets shows the superior performance of the model in the presence of out-of-distribution data while performing on par with state-of-the-art personalized federated learning algorithms in the standard scenarios.

stat.ML↗

arXiv2023

LM-Polygraph: Uncertainty Estimation for Language Models

Recent advancements in the capabilities of large language models (LLMs) have paved the way for a myriad of groundbreaking applications in various fields. However, a significant challenge arises as these models often "hallucinate", i.e., fabricate facts without providing users an apparent means to discern the veracity of their statements. Uncertainty estimation (UE) methods are one path to safer, more responsible, and more effective use of LLMs. However, to date, research on UE methods for LLMs has been focused primarily on theoretical rather than engineering contributions. In this work, we tackle this issue by introducing LM-Polygraph, a framework with implementations of a battery of state-of-the-art UE methods for LLMs in text generation tasks, with unified program interfaces in Python. Additionally, it introduces an extendable benchmark for consistent evaluation of UE techniques by researchers, and a demo web application that enriches the standard chat dialog with confidence scores, empowering end-users to discern unreliable responses. LM-Polygraph is compatible with the most recent LLMs, including BLOOMz, LLaMA-2, ChatGPT, and GPT-4, and is designed to support future releases of similarly-styled LMs.

cs.CL↗