arXiv subjects

Jiancong Xiao

Publications and source records attributed to Jiancong Xiao.

17 recordsLinked to original sources

arXiv2026

Beyond Post-Hoc Temperature Scaling: Bilevel Optimization for LLM Calibration

Preference alignment often makes large language models (LLMs) overconfident and poorly calibrated. Traditional post-hoc temperature scaling is inherently domain-dependent: a temperature fitted on one domain does not generalize across domains. This motivates us to modify model parameters during training to improve calibration. We propose maximizing the entropy of predictive distributions as the calibration objective, which directly targets overconfidence by discouraging overly concentrated predictions. Inspired by temperature scaling, we realize this through a bilevel optimization formulation, where the lower level trains the model under a parametric loss and the upper level selects loss hyperparameters to maximize entropy. To make the framework practical at LLM scale, we adopt an efficient first-order approximation that avoids explicit second-order computation. Across both multiple-choice and open-ended generative question answering, experiments demonstrate that our method yields well-calibrated LLMs with particular advantages in out-of-domain generalization.

cs.LG↗

arXiv2026

Adversarial Rademacher Complexity of Deep Neural Networks

Deep neural networks (DNNs) are highly vulnerable to adversarial attacks. Ideally, a robust model should perform well on both perturbed training data and unseen perturbed test data. While DNNs can fit perturbed training data, generalizing to perturbed test data remains a significant challenge. This motivates the study of generalization guarantees from a learning theory perspective. This paper focuses on adversarial Rademacher complexity (ARC), first introduced by Khim and Loh (2018) and Yin et al. (2019). Their work primarily addressed linear functions and highlighted the open question of how to bound ARC for neural networks. Since then, several attempts have been made, with the latest results applying ARC only to two-layer neural networks. The main challenge arises from the dynamic nature and unknown closed-form solution of adversarial examples. In this paper, we resolve this issue and provide the first bound on ARC for deep neural networks. Our bound is qualitatively comparable to Rademacher complexity bounds in similar settings. The key ingredient is a new concept we introduce, termed intermediate adversarial examples, along with a framework for calculating the covering number that is compatible with them. Finally, we present experiments to analyze poor robust generalization, demonstrating that the weight norm is a crucial factor influencing the robust generalization gap.

cs.LG↗

arXiv2026

A Semantic-Sampling Framework for Evaluating Calibration in Open-Ended Question Answering

Calibration measures whether a model's predicted confidence aligns with its empirical accuracy, and is central to the reliable deployment of large language models (LLMs) in high-stakes domains such as medicine and law. While much recent work focuses on improving LLM calibration, the equally important question of how to evaluate it in realistic settings remains underdeveloped. Open-ended question answering (QA), the most common deployment setting for modern LLMs, is where existing evaluation methods fall short: logit-based metrics need restricted output formats and internal probabilities; verbalized confidence is self-reported and often overconfident; and sampling-based methods rely on task-specific extraction rules without a clear finite-sample target. We introduce Sem-ECE (Semantic-Sampling Expected Calibration Error), a calibration evaluation framework for open-ended QA that samples answers from the model, groups them into semantic classes, and uses the resulting frequencies as confidence. We study two estimators within this framework: Sem$_1$-ECE, the same-sample self-consistency score, and Sem$_2$-ECE, a held-out variant that separates answer selection from confidence evaluation. We prove both are asymptotically unbiased, and further show that they agree on easy questions but diverge on hard ones with Sem$_2$ achieving strictly smaller calibration error, so their gap also serves as a diagnostic for question difficulty. Experiments on three open-ended QA benchmarks across five leading commercial LLMs match our theoretical predictions and show that Sem-ECE outperforms verbalized confidence and existing sampling-based methods, while complementing logit-based evaluation when internal probabilities are unavailable.

cs.CL↗

arXiv2026

Statistical Impossibility and Possibility of Aligning LLMs with Human Preferences: From Condorcet Paradox to Nash Equilibrium

Aligning large language models (LLMs) with diverse human preferences is critical for ensuring fairness and informed outcomes when deploying these models for decision-making. In this paper, we seek to uncover fundamental statistical limits concerning aligning LLMs with human preferences, with a focus on the probabilistic representation of human preferences and the preservation of diverse preferences in aligned LLMs. We first show that human preferences can be represented by a reward model if and only if the preference among LLM-generated responses is free of any Condorcet cycle. Moreover, we prove that Condorcet cycles exist with probability converging to one exponentially fast under a general probabilistic preference model called the Luce model, thereby demonstrating the impossibility of fully aligning human preferences using reward-based approaches such as reinforcement learning from human feedback. Next, we explore the conditions under which LLMs would employ mixed strategies -- meaning they do not collapse to a single response -- when aligned in the limit using a non-reward-based approach, such as Nash learning from human feedback. We identify a necessary and sufficient condition for mixed strategies: the absence of a response that is preferred over all others by a majority. As a blessing, we prove that this condition holds with high probability under the Luce model, thereby highlighting the statistical possibility of preserving minority preferences without explicit regularization in aligning LLMs.

cs.GT↗

arXiv2025

Restoring Calibration for Aligned Large Language Models: A Calibration-Aware Fine-Tuning Approach

One of the key technologies for the success of Large Language Models (LLMs) is preference alignment. However, a notable side effect of preference alignment is poor calibration: while the pre-trained models are typically well-calibrated, LLMs tend to become poorly calibrated after alignment with human preferences. In this paper, we investigate why preference alignment affects calibration and how to address this issue. For the first question, we observe that the preference collapse issue in alignment undesirably generalizes to the calibration scenario, causing LLMs to exhibit overconfidence and poor calibration. To address this, we demonstrate the importance of fine-tuning with domain-specific knowledge to alleviate the overconfidence issue. To further analyze whether this affects the model's performance, we categorize models into two regimes: calibratable and non-calibratable, defined by bounds of Expected Calibration Error (ECE). In the calibratable regime, we propose a calibration-aware fine-tuning approach to achieve proper calibration without compromising LLMs' performance. However, as models are further fine-tuned for better performance, they enter the non-calibratable regime. For this case, we develop an EM-algorithm-based ECE regularization for the fine-tuning loss to maintain low calibration error. Extensive experiments validate the effectiveness of the proposed methods.

cs.LG↗

arXiv2025

On the Algorithmic Bias of Aligning Large Language Models with RLHF: Preference Collapse and Matching Regularization

Accurately aligning large language models (LLMs) with human preferences is crucial for informing fair, economically sound, and statistically efficient decision-making processes. However, we argue that the predominant approach for aligning LLMs with human preferences through a reward model -- reinforcement learning from human feedback (RLHF) -- suffers from an inherent algorithmic bias due to its Kullback--Leibler-based regularization in optimization. In extreme cases, this bias could lead to a phenomenon we term preference collapse, where minority preferences are virtually disregarded. To mitigate this algorithmic bias, we introduce preference matching (PM) RLHF, a novel approach that provably aligns LLMs with the preference distribution of the reward model under the Bradley--Terry--Luce/Plackett--Luce model. Central to our approach is a PM regularizer that takes the form of the negative logarithm of the LLM's policy probability distribution over responses, which helps the LLM balance response diversification and reward maximization. Notably, we obtain this regularizer by solving an ordinary differential equation that is necessary for the PM property. For practical implementation, we introduce a conditional variant of PM RLHF that is tailored to natural language generation. Finally, we empirically validate the effectiveness of conditional PM RLHF through experiments on the OPT and Llama-family models, demonstrating a 29% to 41% improvement in alignment with human preferences, as measured by a certain metric, compared to standard RLHF.

stat.ML↗

arXiv2025

Theoretical Tensions in RLHF: Reconciling Empirical Success with Inconsistencies in Social Choice Theory

Despite its empirical success, Reinforcement Learning from Human Feedback (RLHF) has been shown to violate almost all the fundamental axioms in social choice theory -- such as majority consistency, pairwise majority consistency, and Condorcet consistency. This raises a foundational question: why does RLHF perform so well in practice if it fails these seemingly essential properties? In this paper, we resolve this paradox by showing that under mild and empirically plausible assumptions on the preference profile, RLHF does satisfy pairwise majority and Condorcet consistency. These assumptions are frequently satisfied in real-world alignment tasks, offering a theoretical explanation for RLHF's strong practical performance. Furthermore, we show that a slight modification to the reward modeling objective can ensure pairwise majority or Condorcet consistency even under general preference profiles, thereby improving the alignment process. Finally, we go beyond classical axioms in economic and social choice theory and introduce new alignment criteria -- preference matching, preference equivalence, and group preference matching -- that better reflect the goal of learning distributions over responses. We show that while RLHF satisfies the first two properties, it fails to satisfy the third. We conclude by discussing how future alignment methods may be designed to satisfy all three.

stat.ML↗

arXiv2025

Fundamental Limits of Game-Theoretic LLM Alignment: Smith Consistency and Preference Matching

Nash Learning from Human Feedback is a game-theoretic framework for aligning large language models (LLMs) with human preferences by modeling learning as a two-player zero-sum game. However, using raw preference as the payoff in the game highly limits the potential of the game-theoretic LLM alignment framework. In this paper, we systematically study using what choices of payoff based on the pairwise human preferences can yield desirable alignment properties. We establish necessary and sufficient conditions for Condorcet consistency, diversity through mixed strategies, and Smith consistency. These results provide a theoretical foundation for the robustness of game-theoretic LLM alignment. Further, we show the impossibility of preference matching -- i.e., no smooth and learnable mappings of pairwise preferences can guarantee a unique Nash equilibrium that matches a target policy, even under standard assumptions like the Bradley-Terry-Luce model. This result highlights the fundamental limitation of game-theoretic LLM alignment.

cs.GT↗

arXiv2025

Magnetic Preference Optimization: Achieving Last-iterate Convergence for Language Model Alignment

Self-play methods have demonstrated remarkable success in enhancing model capabilities across various domains. In the context of Reinforcement Learning from Human Feedback (RLHF), self-play not only boosts Large Language Model (LLM) performance but also overcomes the limitations of traditional Bradley-Terry (BT) model assumptions by finding the Nash equilibrium (NE) of a preference-based, two-player constant-sum game. However, existing methods either guarantee only average-iterate convergence, incurring high storage and inference costs, or converge to the NE of a regularized game, failing to accurately reflect true human preferences. In this paper, we introduce Magnetic Preference Optimization (MPO), a novel approach capable of achieving last-iterate convergence to the NE of the original game, effectively overcoming the limitations of existing methods. Building upon Magnetic Mirror Descent (MMD), MPO attains a linear convergence rate, making it particularly suitable for fine-tuning LLMs. To ensure our algorithm is both theoretically sound and practically viable, we present a simple yet effective implementation that adapts the theoretical insights to the RLHF setting. Empirical results demonstrate that MPO can significantly enhance the performance of LLMs, highlighting the potential of self-play methods in alignment.

cs.CL↗

arXiv2025

Preserving Diversity in Supervised Fine-Tuning of Large Language Models

Large Language Models (LLMs) typically rely on Supervised Fine-Tuning (SFT) to specialize in downstream tasks, with the Cross Entropy (CE) loss being the de facto choice. However, CE maximizes the likelihood of observed data without accounting for alternative possibilities. As such, CE usually leads to reduced diversity in the model's outputs, which hinders further development that requires sampling to explore better responses. To address this limitation, this paper introduces a new game-theoretic formulation for SFT. In this framework, an auxiliary variable is introduced to regulate the learning process. We prove that the proposed game-theoretic approach connects to the problem of reverse KL minimization with entropy regularization. This regularization prevents over-memorization of training data and promotes output diversity. To implement this framework, we develop GEM, a new training algorithm that is computationally efficient as CE by leveraging some unique properties of LLMs. Empirical studies of pre-trained models from 3B to 70B parameters show that GEM achieves comparable downstream performance to CE while significantly enhancing output diversity. This increased diversity translates to performance gains in test-time compute scaling for chat and code generation tasks. Moreover, we observe that preserving output diversity has the added benefit of mitigating forgetting, as maintaining diverse outputs encourages models to retain pre-trained knowledge throughout the training process.

cs.LG↗

arXiv2025

Fine-Tuning Attention Modules Only: Enhancing Weight Disentanglement in Task Arithmetic

In recent years, task arithmetic has garnered increasing attention. This approach edits pre-trained models directly in weight space by combining the fine-tuned weights of various tasks into a unified model. Its efficiency and cost-effectiveness stem from its training-free combination, contrasting with traditional methods that require model training on large datasets for multiple tasks. However, applying such a unified model to individual tasks can lead to interference from other tasks (lack of weight disentanglement). To address this issue, Neural Tangent Kernel (NTK) linearization has been employed to leverage a "kernel behavior", facilitating weight disentanglement and mitigating adverse effects from unrelated tasks. Despite its benefits, NTK linearization presents drawbacks, including doubled training costs, as well as reduced performance of individual models. To tackle this problem, we propose a simple yet effective and efficient method that is to finetune the attention modules only in the Transformer. Our study reveals that the attention modules exhibit kernel behavior, and fine-tuning the attention modules only significantly improves weight disentanglement. To further understand how our method improves the weight disentanglement of task arithmetic, we present a comprehensive study of task arithmetic by differentiating the role of the representation module and task-specific module. In particular, we find that the representation module plays an important role in improving weight disentanglement whereas the task-specific modules such as the classification heads can degenerate the weight disentanglement performance. (The code is available at https://github.com/kyrie-23/task_arithmetic_tangent)

cs.LG↗

arXiv2024

Bridging the Gap: Rademacher Complexity in Robust and Standard Generalization

Training Deep Neural Networks (DNNs) with adversarial examples often results in poor generalization to test-time adversarial data. This paper investigates this issue, known as adversarially robust generalization, through the lens of Rademacher complexity. Building upon the studies by Khim and Loh (2018); Yin et al. (2019), numerous works have been dedicated to this problem, yet achieving a satisfactory bound remains an elusive goal. Existing works on DNNs either apply to a surrogate loss instead of the robust loss or yield bounds that are notably looser compared to their standard counterparts. In the latter case, the bounds have a higher dependency on the width $m$ of the DNNs or the dimension $d$ of the data, with an extra factor of at least $\mathcal{O}(\sqrt{m})$ or $\mathcal{O}(\sqrt{d})$. This paper presents upper bounds for adversarial Rademacher complexity of DNNs that match the best-known upper bounds in standard settings, as established in the work of Bartlett et al. (2017), with the dependency on width and dimension being $\mathcal{O}(\ln(dm))$. The central challenge addressed is calculating the covering number of adversarial function classes. We aim to construct a new cover that possesses two properties: 1) compatibility with adversarial examples, and 2) precision comparable to covers used in standard settings. To this end, we introduce a new variant of covering number called the \emph{uniform covering number}, specifically designed and proven to reconcile these two properties. Consequently, our method effectively bridges the gap between Rademacher complexity in robust and standard generalization.

stat.ML↗

arXiv2024

Uniformly Stable Algorithms for Adversarial Training and Beyond

In adversarial machine learning, neural networks suffer from a significant issue known as robust overfitting, where the robust test accuracy decreases over epochs (Rice et al., 2020). Recent research conducted by Xing et al.,2021; Xiao et al., 2022 has focused on studying the uniform stability of adversarial training. Their investigations revealed that SGD-based adversarial training fails to exhibit uniform stability, and the derived stability bounds align with the observed phenomenon of robust overfitting in experiments. This motivates us to develop uniformly stable algorithms specifically tailored for adversarial training. To this aim, we introduce Moreau envelope-$\mathcal{A}$, a variant of the Moreau Envelope-type algorithm. We employ a Moreau envelope function to reframe the original problem as a min-min problem, separating the non-strong convexity and non-smoothness of the adversarial loss. Then, this approach alternates between solving the inner and outer minimization problems to achieve uniform stability without incurring additional computational overhead. In practical scenarios, we show the efficacy of ME-$\mathcal{A}$ in mitigating the issue of robust overfitting. Beyond its application in adversarial training, this represents a fundamental result in uniform stability analysis, as ME-$\mathcal{A}$ is the first algorithm to exhibit uniform stability for weakly-convex, non-smooth problems.

cs.LG↗

arXiv2023

PAC-Bayesian Spectrally-Normalized Bounds for Adversarially Robust Generalization

Deep neural networks (DNNs) are vulnerable to adversarial attacks. It is found empirically that adversarially robust generalization is crucial in establishing defense algorithms against adversarial attacks. Therefore, it is interesting to study the theoretical guarantee of robust generalization. This paper focuses on norm-based complexity, based on a PAC-Bayes approach (Neyshabur et al., 2017). The main challenge lies in extending the key ingredient, which is a weight perturbation bound in standard settings, to the robust settings. Existing attempts heavily rely on additional strong assumptions, leading to loose bounds. In this paper, we address this issue and provide a spectrally-normalized robust generalization bound for DNNs. Compared to existing bounds, our bound offers two significant advantages: Firstly, it does not depend on additional assumptions. Secondly, it is considerably tighter, aligning with the bounds of standard generalization. Therefore, our result provides a different perspective on understanding robust generalization: The mismatch terms between standard and robust generalization bounds shown in previous studies do not contribute to the poor robust generalization. Instead, these disparities solely due to mathematical issues. Finally, we extend the main result to adversarial robustness against general non-$\ell_p$ attacks and other neural network architectures.

cs.LG↗

arXiv2022

Stability Analysis and Generalization Bounds of Adversarial Training

In adversarial machine learning, deep neural networks can fit the adversarial examples on the training dataset but have poor generalization ability on the test set. This phenomenon is called robust overfitting, and it can be observed when adversarially training neural nets on common datasets, including SVHN, CIFAR-10, CIFAR-100, and ImageNet. In this paper, we study the robust overfitting issue of adversarial training by using tools from uniform stability. One major challenge is that the outer function (as a maximization of the inner function) is nonsmooth, so the standard technique (e.g., hardt et al., 2016) cannot be applied. Our approach is to consider $η$-approximate smoothness: we show that the outer function satisfies this modified smoothness assumption with $η$ being a constant related to the adversarial perturbation $ε$. Based on this, we derive stability-based generalization bounds for stochastic gradient descent (SGD) on the general class of $η$-approximate smooth functions, which covers the adversarial loss. Our results suggest that robust test accuracy decreases in $ε$ when $T$ is large, with a speed between $Ω(ε\sqrt{T})$ and $\mathcal{O}(εT)$. This phenomenon is also observed in practice. Additionally, we show that a few popular techniques for adversarial training (e.g., early stopping, cyclic learning rate, and stochastic weight averaging) are stability-promoting in theory.

cs.LG↗

arXiv2022

Understanding Adversarial Robustness Against On-manifold Adversarial Examples

Deep neural networks (DNNs) are shown to be vulnerable to adversarial examples. A well-trained model can be easily attacked by adding small perturbations to the original data. One of the hypotheses of the existence of the adversarial examples is the off-manifold assumption: adversarial examples lie off the data manifold. However, recent research showed that on-manifold adversarial examples also exist. In this paper, we revisit the off-manifold assumption and want to study a question: at what level is the poor performance of neural networks against adversarial attacks due to on-manifold adversarial examples? Since the true data manifold is unknown in practice, we consider two approximated on-manifold adversarial examples on both real and synthesis datasets. On real datasets, we show that on-manifold adversarial examples have greater attack rates than off-manifold adversarial examples on both standard-trained and adversarially-trained models. On synthetic datasets, theoretically, We prove that on-manifold adversarial examples are powerful, yet adversarial training focuses on off-manifold directions and ignores the on-manifold adversarial examples. Furthermore, we provide analysis to show that the properties derived theoretically can also be observed in practice. Our analysis suggests that on-manifold adversarial examples are important, and we should pay more attention to on-manifold adversarial examples for training robust models.

cs.LG↗

arXiv2022

Adaptive Smoothness-weighted Adversarial Training for Multiple Perturbations with Its Stability Analysis

Adversarial Training (AT) has been demonstrated as one of the most effective methods against adversarial examples. While most existing works focus on AT with a single type of perturbation e.g., the $\ell_\infty$ attacks), DNNs are facing threats from different types of adversarial examples. Therefore, adversarial training for multiple perturbations (ATMP) is proposed to generalize the adversarial robustness over different perturbation types (in $\ell_1$, $\ell_2$, and $\ell_\infty$ norm-bounded perturbations). However, the resulting model exhibits trade-off between different attacks. Meanwhile, there is no theoretical analysis of ATMP, limiting its further development. In this paper, we first provide the smoothness analysis of ATMP and show that $\ell_1$, $\ell_2$, and $\ell_\infty$ adversaries give different contributions to the smoothness of the loss function of ATMP. Based on this, we develop the stability-based excess risk bounds and propose adaptive smoothness-weighted adversarial training for multiple perturbations. Theoretically, our algorithm yields better bounds. Empirically, our experiments on CIFAR10 and CIFAR100 achieve the state-of-the-art performance against the mixture of multiple perturbations attacks.

cs.LG↗