Zhixin Zhou

Rui Luo, Zhixin Zhou

Machine learning classification tasks often benefit from predicting a set of possible labels with confidence scores to capture uncertainty. However, existing methods struggle with the high-dimensional nature of the data and the lack of well-calibrated probabilities from modern classification models. We propose a novel conformal prediction method that employs a rank-based score function suitable for classification models that predict the order of labels correctly, even if not well-calibrated. Our approach constructs prediction sets that achieve the desired coverage rate while managing their size. We provide a theoretical analysis of the expected size of the conformal prediction sets based on the rank distribution of the underlying classifier. Through extensive experiments, we demonstrate that our method outperforms existing techniques on various datasets, providing reliable uncertainty quantification. Our contributions include a novel conformal prediction method, theoretical analysis, and empirical evaluation. This work advances the practical deployment of machine learning systems by enabling reliable uncertainty quantification.

Rui Luo, Zhixin Zhou

This paper introduces Conformal Thresholded Intervals (CTI), a novel conformal regression method that aims to produce the smallest possible prediction set with guaranteed coverage. Unlike existing methods that rely on nested conformal frameworks and full conditional distribution estimation, CTI estimates the conditional probability density for a new response to fall into each interquantile interval using off-the-shelf multi-output quantile regression. By leveraging the inverse relationship between interval length and probability density, CTI constructs prediction sets by thresholding the estimated conditional interquantile intervals based on their length. The optimal threshold is determined using a calibration set to ensure marginal coverage, effectively balancing the trade-off between prediction set size and coverage. CTI's approach is computationally efficient and avoids the complexity of estimating the full conditional distribution. The method is theoretically grounded, with provable guarantees for marginal coverage and achieving the smallest prediction size given by Neyman-Pearson . Extensive experimental results demonstrate that CTI achieves superior performance compared to state-of-the-art conformal regression methods across various datasets, consistently producing smaller prediction sets while maintaining the desired coverage level. The proposed method offers a simple yet effective solution for reliable uncertainty quantification in regression tasks, making it an attractive choice for practitioners seeking accurate and efficient conformal prediction.

Rui Luo, Zhixin Zhou

Conformal prediction is a powerful framework for constructing prediction sets with valid coverage guarantees in multi-class classification. However, existing methods often rely on a single score function, which can limit their efficiency and informativeness. We propose a novel approach that combines multiple score functions to improve the performance of conformal predictors by identifying optimal weights that minimize prediction set size. Our theoretical analysis establishes a connection between the weighted score functions and subgraph classes of functions studied in Vapnik-Chervonenkis theory, providing a rigorous mathematical basis for understanding the effectiveness of the proposed method. Experiments demonstrate that our approach consistently outperforms single-score conformal predictors while maintaining valid coverage, offering a principled and data-driven way to enhance the efficiency and practicality of conformal prediction in classification tasks.

Rui Luo, Zhixin Zhou

Uncertainty quantification is essential in decision-making, especially when joint distributions of random variables are involved. While conformal prediction provides distribution-free prediction sets with valid coverage guarantees, it traditionally focuses on single predictions. This paper introduces novel conformal prediction methods for estimating the sum or average of unknown labels over specific index sets. We develop conformal prediction intervals for single target to the prediction interval for sum of multiple targets. Under permutation invariant assumptions, we prove the validity of our proposed method. We also apply our algorithms on class average estimation and path cost prediction tasks, and we show that our method outperforms existing conformalized approaches as well as non-conformal approaches.

Jie Bao, Chuangyin Dang, Rui Luo et al.

As deep learning models are increasingly deployed in high-risk applications, robust defenses against adversarial attacks and reliable performance guarantees become paramount. Moreover, accuracy alone does not provide sufficient assurance or reliable uncertainty estimates for these models. This study advances adversarial training by leveraging principles from Conformal Prediction. Specifically, we develop an adversarial attack method, termed OPSA (OPtimal Size Attack), designed to reduce the efficiency of conformal prediction at any significance level by maximizing model uncertainty without requiring coverage guarantees. Correspondingly, we introduce OPSA-AT (Adversarial Training), a defense strategy that integrates OPSA within a novel conformal training paradigm. Experimental evaluations demonstrate that our OPSA attack method induces greater uncertainty compared to baseline approaches for various defenses. Conversely, our OPSA-AT defensive model significantly enhances robustness not only against OPSA but also other adversarial attacks, and maintains reliable prediction. Our findings highlight the effectiveness of this integrated approach for developing trustworthy and resilient deep learning models for safety-critical domains. Our code is available at https://github.com/bjbbbb/Enhancing-Adversarial-Robustness-with-Conformal-Prediction.

Xiaoyi Su, Zhixin Zhou, Rui Luo

Conformal prediction (CP) provides finite-sample, distribution-free marginal coverage, but standard conformal regression intervals can be inefficient under heteroscedasticity and skewness. In particular, popular constructions such as conformalized quantile regression (CQR) often inherit a fixed notion of center and enforce equal-tailed errors, which can displace the interval away from high-density regions and produce unnecessarily wide sets. We propose Co-optimization for Adaptive Conformal Prediction (CoCP), a framework that learns prediction intervals by jointly optimizing a center $m(x)$ and a radius $h(x)$.CoCP alternates between (i) learning $h(x)$ via quantile regression on the folded absolute residual around the current center, and (ii) refining $m(x)$ with a differentiable soft-coverage objective whose gradients concentrate near the current boundaries, effectively correcting mis-centering without estimating the full conditional density. Finite-sample marginal validity is guaranteed by split-conformal calibration with a normalized nonconformity score. Theory characterizes the population fixed point of the soft objective and shows that, under standard regularity conditions, CoCP asymptotically approaches the length-minimizing conditional interval at the target coverage level as the estimation error and smoothing vanish. Experiments on synthetic and real benchmarks demonstrate that CoCP yields consistently shorter intervals and achieves state-of-the-art conditional-coverage diagnostics.

Ting Wang, Zhixin Zhou, Rui Luo

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes. Conformal Prediction (CP) can produce statistically guaranteed uncertainty estimates by using the classifier's probability estimates to obtain prediction sets, which contains the true class with a user-specified probability. In this paper, we propose a Rank-based CP during training framework to GNNs (RCP-GNN) for reliable uncertainty estimates to enhance the trustworthiness of GNNs in the node classification scenario. By exploiting rank information of the classifier's outcome, prediction sets with desired coverage rate can be efficiently constructed. The strategy of CP during training with differentiable rank-based conformity loss function is further explored to adapt prediction sets according to network topology information. In this way, the composition of prediction sets can be guided by the goal of jointly reducing inefficiency and probability estimation errors. Extensive experiments on several real-world datasets show that our model achieves any pre-defined target marginal coverage while significantly reducing the inefficiency compared with state-of-the-art methods.

Rui Luo, Jie Bao, Zhixin Zhou et al.

Adversarial attacks pose significant threats to the reliability and safety of deep learning models, especially in critical domains such as medical imaging. This paper introduces a novel framework that integrates conformal prediction with game-theoretic defensive strategies to enhance model robustness against both known and unknown adversarial perturbations. We address three primary research questions: constructing valid and efficient conformal prediction sets under known attacks (RQ1), ensuring coverage under unknown attacks through conservative thresholding (RQ2), and determining optimal defensive strategies within a zero-sum game framework (RQ3). Our methodology involves training specialized defensive models against specific attack types and employing maximum and minimum classifiers to aggregate defenses effectively. Extensive experiments conducted on the MedMNIST datasets, including PathMNIST, OrganAMNIST, and TissueMNIST, demonstrate that our approach maintains high coverage guarantees while minimizing prediction set sizes. The game-theoretic analysis reveals that the optimal defensive strategy often converges to a singular robust model, outperforming uniform and simple strategies across all evaluated datasets. This work advances the state-of-the-art in uncertainty quantification and adversarial robustness, providing a reliable mechanism for deploying deep learning models in adversarial environments.

Lingxuan Tang, Rui Luo, Zhixin Zhou et al.

This paper investigates the application of probabilistic prediction methodologies in route planning within a road network context. Specifically, we introduce the Conformalized Quantile Regression for Graph Autoencoders (CQR-GAE), which leverages the conformal prediction technique to offer a coverage guarantee, thus improving the reliability and robustness of our predictions. By incorporating uncertainty sets derived from CQR-GAE, we substantially improve the decision-making process in route planning under a robust optimization framework. We demonstrate the effectiveness of our approach by applying the CQR-GAE model to a real-world traffic scenario. The results indicate that our model significantly outperforms baseline methods, offering a promising avenue for advancing intelligent transportation systems.

Rui Luo, Zhixin Zhou

We introduce Volume-Sorted Prediction Set (VSPS), a novel method for uncertainty quantification in multi-target regression that uses conditional normalizing flows with conformal calibration. This approach constructs flexible, non-convex predictive regions with guaranteed coverage probabilities, overcoming limitations of traditional methods. By learning a transformation where the conditional distribution of responses follows a known form, VSPS identifies dense regions in the original space using the Jacobian determinant. This enables the creation of prediction regions that adapt to the true underlying distribution, focusing on areas of high probability density. Experimental results demonstrate that VSPS produces smaller, more informative prediction regions while maintaining robust coverage guarantees, enhancing uncertainty modeling in complex, high-dimensional settings.

Zheng Zhang, Jie Bao, Zhixin Zhou et al.

Graph Neural Networks (GNNs) excel at modeling relational data but face significant challenges in high-stakes domains due to unquantified uncertainty. Conformal prediction (CP) offers statistical coverage guarantees, but existing methods often produce overly conservative prediction intervals that fail to account for graph heteroscedasticity and structural biases. While residual reweighting CP variants address some of these limitations, they neglect graph topology, cluster-specific uncertainties, and risk data leakage by reusing training sets. To address these issues, we propose Residual Reweighted GNN (RR-GNN), a framework designed to generate minimal prediction sets with provable marginal coverage guarantees. RR-GNN introduces three major innovations to enhance prediction performance. First, it employs Graph-Structured Mondrian CP to partition nodes or edges into communities based on topological features, ensuring cluster-conditional coverage that reflects heterogeneity. Second, it uses Residual-Adaptive Nonconformity Scores by training a secondary GNN on a held-out calibration set to estimate task-specific residuals, dynamically adjusting prediction intervals according to node or edge uncertainty. Third, it adopts a Cross-Training Protocol, which alternates the optimization of the primary GNN and the residual predictor to prevent information leakage while maintaining graph dependencies. We validate RR-GNN on 15 real-world graphs across diverse tasks, including node classification, regression, and edge weight prediction. Compared to CP baselines, RR-GNN achieves improved efficiency over state-of-the-art methods, with no loss of coverage.

Xiaoyi Su, Zhixin Zhou, Rui Luo

Conformal inference is a statistical method used to construct prediction sets for point predictors, providing reliable uncertainty quantification with probability guarantees. This method utilizes historical labeled data to estimate the conformity or nonconformity between predictions and true labels. However, conducting conformal inference for hidden states under hidden Markov models (HMMs) presents a significant challenge, as the hidden state data is unavailable, resulting in the absence of a true label set to serve as a conformal calibration set. This paper proposes an adaptive conformal inference framework that leverages a particle filtering approach to address this issue. Rather than directly focusing on the unobservable hidden state, we innovatively use weighted particles as an approximation of the actual posterior distribution of the hidden state. Our goal is to produce prediction sets that encompass these particles to achieve a specific aggregate weight sum, referred to as the aggregated coverage level. The proposed framework can adapt online to the time-varying distribution of data and achieve the defined marginal aggregated coverage level in both one-step and multi-step inference over the long term. We verify the effectiveness of this approach through a real-time target localization simulation study.

Rui Luo, Zhixin Zhou

Uncertainty quantification is becoming increasingly important in image segmentation, especially for high-stakes applications like medical imaging. While conformal risk control generalizes conformal prediction beyond standard miscoverage to handle various loss functions such as false negative rate, its application to segmentation often yields inadequate conditional risk control: some images experience very high false negative rates while others have negligibly small ones. We develop Conformal Risk Adaptation (CRA), which introduces a new score function for creating adaptive prediction sets that significantly improve conditional risk control for segmentation tasks. We establish a novel theoretical framework that demonstrates a fundamental connection between conformal risk control and conformal prediction through a weighted quantile approach, applicable to any score function. To address the challenge of poorly calibrated probabilities in segmentation models, we introduce a specialized probability calibration framework that enhances the reliability of pixel-wise inclusion estimates. Using these calibrated probabilities, we propose Calibrated Conformal Risk Adaptation (CCRA) and a stratified variant (CCRA-S) that partitions images based on their characteristics and applies group-specific thresholds to further enhance conditional risk control. Our experiments on polyp segmentation demonstrate that all three methods (CRA, CCRA, and CCRA-S) provide valid marginal risk control and deliver more consistent conditional risk control across diverse images compared to standard approaches, offering a principled approach to uncertainty quantification that is particularly valuable for high-stakes and personalized segmentation applications.

Jie Bao, Zhixin Zhou, Wen Jung Li et al.

Accurate medical image segmentation is essential for effective diagnosis and treatment planning but is often challenged by domain shifts caused by variations in imaging devices, acquisition conditions, and patient-specific attributes. Traditional domain generalization methods typically require inclusion of parts of the test domain within the training set, which is not always feasible in clinical settings with limited diverse data. Additionally, although diffusion models have demonstrated strong capabilities in image generation and style transfer, they often fail to preserve the critical structural information necessary for precise medical analysis. To address these issues, we propose a novel medical image segmentation method that combines diffusion models and Structure-Preserving Network for structure-aware one-shot image stylization. Our approach effectively mitigates domain shifts by transforming images from various sources into a consistent style while maintaining the location, size, and shape of lesions. This ensures robust and accurate segmentation even when the target domain is absent from the training data. Experimental evaluations on colonoscopy polyp segmentation and skin lesion segmentation datasets show that our method enhances the robustness and accuracy of segmentation models, achieving superior performance metrics compared to baseline models without style transfer. This structure-aware stylization framework offers a practical solution for improving medical image segmentation across diverse domains, facilitating more reliable clinical diagnoses.

Zhixin Zhou, Arash A. Amini

We study bipartite community detection in networks, or more generally the network biclustering problem. We present a fast two-stage procedure based on spectral initialization followed by the application of a pseudo-likelihood classifier twice. Under mild regularity conditions, we establish the weak consistency of the procedure (i.e., the convergence of the misclassification rate to zero) under a general bipartite stochastic block model. We show that the procedure is optimal in the sense that it achieves the optimal convergence rate that is achievable by a biclustering oracle, adaptively over the whole class, up to constants. This is further formalized by deriving a minimax lower bound over a class of biclustering problems. The optimal rate we obtain sharpens some of the existing results and generalizes others to a wide regime of average degree growth, from sparse networks with average degrees growing arbitrarily slowly to fairly dense networks with average degrees of order $\sqrt{n}$. As a special case, we recover the known exact recovery threshold in the $\log n$ regime of sparsity. To obtain the consistency result, as part of the provable version of the algorithm, we introduce a sub-block partitioning scheme that is also computationally attractive, allowing for distributed implementation of the algorithm without sacrificing optimality. The provable algorithm is derived from a general class of pseudo-likelihood biclustering algorithms that employ simple EM type updates. We show the effectiveness of this general class by numerical simulations.

Zhixin Zhou, Arash A. Amini

We consider spectral clustering algorithms for community detection under a general bipartite stochastic block model (SBM). A modern spectral clustering algorithm consists of three steps: (1) regularization of an appropriate adjacency or Laplacian matrix (2) a form of spectral truncation and (3) a k-means type algorithm in the reduced spectral domain. We focus on the adjacency-based spectral clustering and for the first step, propose a new data-driven regularization that can restore the concentration of the adjacency matrix even for the sparse networks. This result is based on recent work on regularization of random binary matrices, but avoids using unknown population level parameters, and instead estimates the necessary quantities from the data. We also propose and study a novel variation of the spectral truncation step and show how this variation changes the nature of the misclassification rate in a general SBM. We then show how the consistency results can be extended to models beyond SBMs, such as inhomogeneous random graph models with approximate clusters, including a graphon clustering problem, as well as general sub-Gaussian biclustering. A theme of the paper is providing a better understanding of the analysis of spectral methods for community detection and establishing consistency results, under fairly general clustering models and for a wide regime of degree growths, including sparse cases where the average expected degree grows arbitrarily slowly.