arXiv subjects

Yuheng Bu

Publications and source records attributed to Yuheng Bu.

At least 37 records · Page 2Linked to original sources

arXiv2025

UQGNN: Uncertainty Quantification of Graph Neural Networks for Multivariate Spatiotemporal Prediction

Spatiotemporal prediction plays a critical role in numerous real-world applications such as urban planning, transportation optimization, disaster response, and pandemic control. In recent years, researchers have made significant progress by developing advanced deep learning models for spatiotemporal prediction. However, most existing models are deterministic, i.e., predicting only the expected mean values without quantifying uncertainty, leading to potentially unreliable and inaccurate outcomes. While recent studies have introduced probabilistic models to quantify uncertainty, they typically focus on a single phenomenon (e.g., taxi, bike, crime, or traffic crashes), thereby neglecting the inherent correlations among heterogeneous urban phenomena. To address the research gap, we propose a novel Graph Neural Network with Uncertainty Quantification, termed UQGNN for multivariate spatiotemporal prediction. UQGNN introduces two key innovations: (i) an Interaction-aware Spatiotemporal Embedding Module that integrates a multivariate diffusion graph convolutional network and an interaction-aware temporal convolutional network to effectively capture complex spatial and temporal interaction patterns, and (ii) a multivariate probabilistic prediction module designed to estimate both expected mean values and associated uncertainties. Extensive experiments on four real-world multivariate spatiotemporal datasets from Shenzhen, New York City, and Chicago demonstrate that UQGNN consistently outperforms state-of-the-art baselines in both prediction accuracy and uncertainty quantification. For example, on the Shenzhen dataset, UQGNN achieves a 5% improvement in both prediction accuracy and uncertainty quantification.

cs.LG↗

arXiv2025

Graph neural networks for residential location choice: connection to classical logit models

Researchers have adopted deep learning for classical discrete choice analysis as it can capture complex feature relationships and achieve higher predictive performance. However, the existing deep learning approaches cannot explicitly capture the relationship among choice alternatives, which has been a long-lasting focus in classical discrete choice models. To address the gap, this paper introduces Graph Neural Network (GNN) as a novel framework to analyze residential location choice. The GNN-based discrete choice models (GNN-DCMs) offer a structured approach for neural networks to capture dependence among spatial alternatives, while maintaining clear connections to classical random utility theory. Theoretically, we demonstrate that the GNN-DCMs incorporate the nested logit (NL) model and the spatially correlated logit (SCL) model as two specific cases, yielding novel algorithmic interpretation through message passing among alternatives' utilities. Empirically, the GNN-DCMs outperform benchmark MNL, SCL, and feedforward neural networks in predicting residential location choices among Chicago's 77 community areas. Regarding model interpretation, the GNN-DCMs can capture individual heterogeneity and exhibit spatially-aware substitution patterns. Overall, these results highlight the potential of GNN-DCMs as a unified and expressive framework for synergizing discrete choice modeling and deep learning in the complex spatial choice contexts.

stat.ML↗

arXiv2025

Distributional Information Embedding: A Framework for Multi-bit Watermarking

This paper introduces a novel problem, distributional information embedding, motivated by the practical demands of multi-bit watermarking for large language models (LLMs). Unlike traditional information embedding, which embeds information into a pre-existing host signal, LLM watermarking actively controls the text generation process--adjusting the token distribution--to embed a detectable signal. We develop an information-theoretic framework to analyze this distributional information embedding problem, characterizing the fundamental trade-offs among three critical performance metrics: text quality, detectability, and information rate. In the asymptotic regime, we demonstrate that the maximum achievable rate with vanishing error corresponds to the entropy of the LLM's output distribution and increases with higher allowable distortion. We also characterize the optimal watermarking scheme to achieve this rate. Extending the analysis to the finite-token case with non-i.i.d. tokens, we identify schemes that maximize detection probability while adhering to constraints on false alarm and distortion.

cs.CR↗

arXiv2025

SAM2-SGP: Enhancing SAM2 for Medical Image Segmentation via Support-Set Guided Prompting

Although new vision foundation models such as Segment Anything Model 2 (SAM2) have significantly enhanced zero-shot image segmentation capabilities, reliance on human-provided prompts poses significant challenges in adapting SAM2 to medical image segmentation tasks. Moreover, SAM2's performance in medical image segmentation was limited by the domain shift issue, since it was originally trained on natural images and videos. To address these challenges, we proposed SAM2 with support-set guided prompting (SAM2-SGP), a framework that eliminated the need for manual prompts. The proposed model leveraged the memory mechanism of SAM2 to generate pseudo-masks using image-mask pairs from a support set via a Pseudo-mask Generation (PMG) module. We further introduced a novel Pseudo-mask Attention (PMA) module, which used these pseudo-masks to automatically generate bounding boxes and enhance localized feature extraction by guiding attention to relevant areas. Furthermore, a low-rank adaptation (LoRA) strategy was adopted to mitigate the domain shift issue. The proposed framework was evaluated on both 2D and 3D datasets across multiple medical imaging modalities, including fundus photography, X-ray, computed tomography (CT), magnetic resonance imaging (MRI), positron emission tomography (PET), and ultrasound. The results demonstrated a significant performance improvement over state-of-the-art models, such as nnUNet and SwinUNet, as well as foundation models, such as SAM2 and MedSAM2, underscoring the effectiveness of the proposed approach. Our code is publicly available at https://github.com/astlian9/SAM_Support.

cs.CV↗

arXiv2025

Fairness Overfitting in Machine Learning: An Information-Theoretic Perspective

Despite substantial progress in promoting fairness in high-stake applications using machine learning models, existing methods often modify the training process, such as through regularizers or other interventions, but lack formal guarantees that fairness achieved during training will generalize to unseen data. Although overfitting with respect to prediction performance has been extensively studied, overfitting in terms of fairness loss has received far less attention. This paper proposes a theoretical framework for analyzing fairness generalization error through an information-theoretic lens. Our novel bounding technique is based on Efron-Stein inequality, which allows us to derive tight information-theoretic fairness generalization bounds with both Mutual Information (MI) and Conditional Mutual Information (CMI). Our empirical results validate the tightness and practical relevance of these bounds across diverse fairness-aware learning algorithms. Our framework offers valuable insights to guide the design of algorithms improving fairness generalization.

cs.LG↗

arXiv2025

Defending LLM Watermarking Against Spoofing Attacks with Contrastive Representation Learning

Watermarking has emerged as a promising technique for detecting texts generated by LLMs. Current research has primarily focused on three design criteria: high quality of the watermarked text, high detectability, and robustness against removal attack. However, the security against spoofing attacks remains relatively understudied. For example, a piggyback attack can maliciously alter the meaning of watermarked text-transforming it into hate speech-while preserving the original watermark, thereby damaging the reputation of the LLM provider. We identify two core challenges that make defending against spoofing difficult: (1) the need for watermarks to be both sensitive to semantic-distorting changes and insensitive to semantic-preserving edits, and (2) the contradiction between the need to detect global semantic shifts and the local, auto-regressive nature of most watermarking schemes. To address these challenges, we propose a semantic-aware watermarking algorithm that post-hoc embeds watermarks into a given target text while preserving its original meaning. Our method introduces a semantic mapping model, which guides the generation of a green-red token list, contrastively trained to be sensitive to semantic-distorting changes and insensitive to semantic-preserving changes. Experiments on two standard benchmarks demonstrate strong robustness against removal attacks and security against spoofing attacks, including sentiment reversal and toxic content insertion, while maintaining high watermark detectability. Our approach offers a significant step toward more secure and semantically aware watermarking for LLMs. Our code is available at https://github.com/UCSB-NLP-Chang/contrastive-watermark.

cs.CR↗

arXiv2025

Image Watermarks are Removable Using Controllable Regeneration from Clean Noise

Image watermark techniques provide an effective way to assert ownership, deter misuse, and trace content sources, which has become increasingly essential in the era of large generative models. A critical attribute of watermark techniques is their robustness against various manipulations. In this paper, we introduce a watermark removal approach capable of effectively nullifying state-of-the-art watermarking techniques. Our primary insight involves regenerating the watermarked image starting from a clean Gaussian noise via a controllable diffusion model, utilizing the extracted semantic and spatial features from the watermarked image. The semantic control adapter and the spatial control network are specifically trained to control the denoising process towards ensuring image quality and enhancing consistency between the cleaned image and the original watermarked image. To achieve a smooth trade-off between watermark removal performance and image consistency, we further propose an adjustable and controllable regeneration scheme. This scheme adds varying numbers of noise steps to the latent representation of the watermarked image, followed by a controlled denoising process starting from this noisy latent representation. As the number of noise steps increases, the latent representation progressively approaches clean Gaussian noise, facilitating the desired trade-off. We apply our watermark removal methods across various watermarking techniques, and the results demonstrate that our methods offer superior visual consistency/quality and enhanced watermark removal performance compared to existing regeneration approaches. Our code is available at https://github.com/yepengliu/CtrlRegen.

cs.CR↗

arXiv2024

Information-Theoretic Opacity-Enforcement in Markov Decision Processes

The paper studies information-theoretic opacity, an information-flow privacy property, in a setting involving two agents: A planning agent who controls a stochastic system and an observer who partially observes the system states. The goal of the observer is to infer some secret, represented by a random variable, from its partial observations, while the goal of the planning agent is to make the secret maximally opaque to the observer while achieving a satisfactory total return. Modeling the stochastic system using a Markov decision process, two classes of opacity properties are considered -- Last-state opacity is to ensure that the observer is uncertain if the last state is in a specific set and initial-state opacity is to ensure that the observer is unsure of the realization of the initial state. As the measure of opacity, we employ the Shannon conditional entropy capturing the information about the secret revealed by the observable. Then, we develop primal-dual policy gradient methods for opacity-enforcement planning subject to constraints on total returns. We propose novel algorithms to compute the policy gradient of entropy for each observation, leveraging message passing within the hidden Markov models. This gradient computation enables us to have stable and fast convergence. We demonstrate our solution of opacity-enforcement control through a grid world example.

eess.SY↗

arXiv2024

Are Uncertainty Quantification Capabilities of Evidential Deep Learning a Mirage?

This paper questions the effectiveness of a modern predictive uncertainty quantification approach, called \emph{evidential deep learning} (EDL), in which a single neural network model is trained to learn a meta distribution over the predictive distribution by minimizing a specific objective function. Despite their perceived strong empirical performance on downstream tasks, a line of recent studies by Bengs et al. identify limitations of the existing methods to conclude their learned epistemic uncertainties are unreliable, e.g., in that they are non-vanishing even with infinite data. Building on and sharpening such analysis, we 1) provide a sharper understanding of the asymptotic behavior of a wide class of EDL methods by unifying various objective functions; 2) reveal that the EDL methods can be better interpreted as an out-of-distribution detection algorithm based on energy-based-models; and 3) conduct extensive ablation studies to better assess their empirical effectiveness with real-world datasets. Through all these analyses, we conclude that even when EDL methods are empirically effective on downstream tasks, this occurs despite their poor uncertainty quantification capabilities. Our investigation suggests that incorporating model uncertainty can help EDL methods faithfully quantify uncertainties and further improve performance on representative downstream tasks, albeit at the cost of additional computational complexity.

cs.LG↗

arXiv2024

Information-theoretic Analysis of the Gibbs Algorithm: An Individual Sample Approach

Recent progress has shown that the generalization error of the Gibbs algorithm can be exactly characterized using the symmetrized KL information between the learned hypothesis and the entire training dataset. However, evaluating such a characterization is cumbersome, as it involves a high-dimensional information measure. In this paper, we address this issue by considering individual sample information measures within the Gibbs algorithm. Our main contribution lies in establishing the asymptotic equivalence between the sum of symmetrized KL information between the output hypothesis and individual samples and that between the hypothesis and the entire dataset. We prove this by providing explicit expressions for the gap between these measures in the non-asymptotic regime. Additionally, we characterize the asymptotic behavior of various information measures in the context of the Gibbs algorithm, leading to tighter generalization error bounds. An illustrative example is provided to verify our theoretical results, demonstrating our analysis holds in broader settings.

cs.IT↗

arXiv2024

SAUC: Sparsity-Aware Uncertainty Calibration for Spatiotemporal Prediction with Graph Neural Networks

Quantifying uncertainty is crucial for robust and reliable predictions. However, existing spatiotemporal deep learning mostly focuses on deterministic prediction, overlooking the inherent uncertainty in such prediction. Particularly, highly-granular spatiotemporal datasets are often sparse, posing extra challenges in prediction and uncertainty quantification. To address these issues, this paper introduces a novel post-hoc Sparsity-awar Uncertainty Calibration (SAUC) framework, which calibrates uncertainty in both zero and non-zero values. To develop SAUC, we firstly modify the state-of-the-art deterministic spatiotemporal Graph Neural Networks (ST-GNNs) to probabilistic ones in the pre-calibration phase. Then we calibrate the probabilistic ST-GNNs for zero and non-zero values using quantile approaches.Through extensive experiments, we demonstrate that SAUC can effectively fit the variance of sparse data and generalize across two real-world spatiotemporal datasets at various granularities. Specifically, our empirical experiments show a 20\% reduction in calibration errors in zero entries on the sparse traffic accident and urban crime prediction. Overall, this work demonstrates the theoretical and empirical values of the SAUC framework, thus bridging a significant gap between uncertainty quantification and spatiotemporal prediction.

cs.LG↗

arXiv2024

Operator SVD with Neural Networks via Nested Low-Rank Approximation

Computing eigenvalue decomposition (EVD) of a given linear operator, or finding its leading eigenvalues and eigenfunctions, is a fundamental task in many machine learning and scientific computing problems. For high-dimensional eigenvalue problems, training neural networks to parameterize the eigenfunctions is considered as a promising alternative to the classical numerical linear algebra techniques. This paper proposes a new optimization framework based on the low-rank approximation characterization of a truncated singular value decomposition, accompanied by new techniques called \emph{nesting} for learning the top-$L$ singular values and singular functions in the correct order. The proposed method promotes the desired orthogonality in the learned functions implicitly and efficiently via an unconstrained optimization formulation, which is easy to solve with off-the-shelf gradient-based optimization algorithms. We demonstrate the effectiveness of the proposed optimization framework for use cases in computational physics and machine learning.

cs.LG↗

arXiv2024

An Algorithm for Computing the Capacity of Symmetrized KL Information for Discrete Channels

Symmetrized Kullback-Leibler (KL) information ($I_{\mathrm{SKL}}$), which symmetrizes the traditional mutual information by integrating Lautum information, has been shown as a critical quantity in communication~\cite{aminian2015capacity} and learning theory~\cite{aminian2023information}. This paper considers the problem of computing the capacity in terms of $I_{\mathrm{SKL}}$ for a fixed discrete channel. Such a maximization problem is reformulated into a discrete quadratic optimization with a simplex constraint. One major challenge here is the non-concavity of Lautum information, which complicates the optimization problem. Our method involves symmetrizing the KL divergence matrix and applying iterative updates to ensure a non-decreasing update while maintaining a valid probability distribution. We validate our algorithm on Binary symmetric Channels and Binomial Channels, demonstrating its consistency with theoretical values. Additionally, we explore its application in machine learning through the Gibbs channel, showcasing the effectiveness of our algorithm in finding the worst-case data distributions.

cs.IT↗

arXiv2024

Adaptive Text Watermark for Large Language Models

The advancement of Large Language Models (LLMs) has led to increasing concerns about the misuse of AI-generated text, and watermarking for LLM-generated text has emerged as a potential solution. However, it is challenging to generate high-quality watermarked text while maintaining strong security, robustness, and the ability to detect watermarks without prior knowledge of the prompt or model. This paper proposes an adaptive watermarking strategy to address this problem. To improve the text quality and maintain robustness, we adaptively add watermarking to token distributions with high entropy measured using an auxiliary model and keep the low entropy token distributions untouched. For the sake of security and to further minimize the watermark's impact on text quality, instead of using a fixed green/red list generated from a random secret key, which can be vulnerable to decryption and forgery, we adaptively scale up the output logits in proportion based on the semantic embedding of previously generated text using a well designed semantic mapping model. Our experiments involving various LLMs demonstrate that our approach achieves comparable robustness performance to existing watermark methods. Additionally, the text generated by our method has perplexity comparable to that of \emph{un-watermarked} LLMs while maintaining security even under various attacks.

cs.CL↗

arXiv2024

Class-wise Generalization Error: an Information-Theoretic Analysis

Existing generalization theories of supervised learning typically take a holistic approach and provide bounds for the expected generalization over the whole data distribution, which implicitly assumes that the model generalizes similarly for all the classes. In practice, however, there are significant variations in generalization performance among different classes, which cannot be captured by the existing generalization bounds. In this work, we tackle this problem by theoretically studying the class-generalization error, which quantifies the generalization performance of each individual class. We derive a novel information-theoretic bound for class-generalization error using the KL divergence, and we further obtain several tighter bounds using the conditional mutual information (CMI), which are significantly easier to estimate in practice. We empirically validate our proposed bounds in different neural networks and show that they accurately capture the complex class-generalization error behavior. Moreover, we show that the theoretical tools developed in this paper can be applied in several applications beyond this context.

cs.LG↗

arXiv2023

Gibbs-Based Information Criteria and the Over-Parameterized Regime

Double-descent refers to the unexpected drop in test loss of a learning algorithm beyond an interpolating threshold with over-parameterization, which is not predicted by information criteria in their classical forms due to the limitations in the standard asymptotic approach. We update these analyses using the information risk minimization framework and provide Akaike Information Criterion (AIC) and Bayesian Information Criterion (BIC) for models learned by the Gibbs algorithm. Notably, the penalty terms for the Gibbs-based AIC and BIC correspond to specific information measures, i.e., symmetrized KL information and KL divergence. We extend this information-theoretic analysis to over-parameterized models by providing two different Gibbs-based BICs to compute the marginal likelihood of random feature models in the regime where the number of parameters $p$ and the number of samples $n$ tend to infinity, with $p/n$ fixed. Our experiments demonstrate that the Gibbs-based BIC can select the high-dimensional model and reveal the mismatch between marginal likelihood and population risk in the over-parameterized regime, providing new insights to understand double-descent.

cs.LG↗

arXiv2023

How Does Pseudo-Labeling Affect the Generalization Error of the Semi-Supervised Gibbs Algorithm?

We provide an exact characterization of the expected generalization error (gen-error) for semi-supervised learning (SSL) with pseudo-labeling via the Gibbs algorithm. The gen-error is expressed in terms of the symmetrized KL information between the output hypothesis, the pseudo-labeled dataset, and the labeled dataset. Distribution-free upper and lower bounds on the gen-error can also be obtained. Our findings offer new insights that the generalization performance of SSL with pseudo-labeling is affected not only by the information between the output hypothesis and input training data but also by the information {\em shared} between the {\em labeled} and {\em pseudo-labeled} data samples. This serves as a guideline to choose an appropriate pseudo-labeling method from a given family of methods. To deepen our understanding, we further explore two examples -- mean estimation and logistic regression. In particular, we analyze how the ratio of the number of unlabeled to labeled data $λ$ affects the gen-error under both scenarios. As $λ$ increases, the gen-error for mean estimation decreases and then saturates at a value larger than when all the samples are labeled, and the gap can be quantified {\em exactly} with our analysis, and is dependent on the \emph{cross-covariance} between the labeled and pseudo-labeled data samples. For logistic regression, the gen-error and the variance component of the excess risk also decrease as $λ$ increases.

cs.IT↗

arXiv2023

Group Fairness with Uncertainty in Sensitive Attributes

Learning a fair predictive model is crucial to mitigate biased decisions against minority groups in high-stakes applications. A common approach to learn such a model involves solving an optimization problem that maximizes the predictive power of the model under an appropriate group fairness constraint. However, in practice, sensitive attributes are often missing or noisy resulting in uncertainty. We demonstrate that solely enforcing fairness constraints on uncertain sensitive attributes can fall significantly short in achieving the level of fairness of models trained without uncertainty. To overcome this limitation, we propose a bootstrap-based algorithm that achieves the target level of fairness despite the uncertainty in sensitive attributes. The algorithm is guided by a Gaussian analysis for the independence notion of fairness where we propose a robust quadratically constrained quadratic problem to ensure a strict fairness guarantee with uncertain sensitive attributes. Our algorithm is applicable to both discrete and continuous sensitive attributes and is effective in real-world classification and regression tasks for various group fairness notions, e.g., independence and separation.

cs.LG↗