arXiv subjects

Gengze Xu

Publications and source records attributed to Gengze Xu.

6 recordsLinked to original sources

arXiv2026

On the Blessing of Pre-training in Weak-to-Strong Generalization

The paradigm of Weak-to-Strong Generalization (W2SG) suggests that a pre-trained strong model can surpass its weak supervisor, yet the decisive role of pre-training remains theoretically and empirically under-explored. In this work, we identify pre-training as the essential prerequisite for the emergence of W2SG. Theoretically, we formalize the W2SG problem within a high-dimensional single-index model framework using spiked Gaussian data, modeling pre-training as a spectral initialization step. Building upon prior impossibility results regarding the failure of learning under random initialization, we prove that W2SG is achievable when pre-training provides a geometric warm start that places the model within an "effective region" characterized by a perturbed strong-convexity geometry. Within this region, we derive a rigorous generalization bound that naturally captures the optimization dynamics: an initial performance improvement followed by a saturation bottleneck dictated by the weak supervisor's bias. Empirically, we first validate all our assumptions and theoretical insights through controlled synthetic simulations. Finally, through a massive-scale evaluation of hundreds of intermediate pre-training checkpoints from large language models, we demonstrate that W2SG is not an innate capability but emerges via a phase transition tightly coupled with the progression of pre-training.

cs.LG↗

arXiv2026

Beyond the Black Box: A Survey on the Theory and Mechanism of Large Language Models

The rapid emergence of Large Language Models (LLMs) has precipitated a profound paradigm shift in Artificial Intelligence, delivering monumental engineering successes that increasingly impact modern society. However, a critical paradox persists within the current field: despite the empirical efficacy, our theoretical understanding of LLMs remains disproportionately nascent, forcing these systems to be treated largely as ``black boxes''. To address this theoretical fragmentation, this survey proposes a unified lifecycle-based taxonomy that organizes the research landscape into six distinct stages: Data Preparation, Model Preparation, Training, Alignment, Inference, and Evaluation. Within this framework, we provide a systematic review of the foundational theories and internal mechanisms driving LLM performance. Specifically, we analyze core theoretical issues such as the mathematical justification for data mixtures, the representational limits of various architectures, and the optimization dynamics of alignment algorithms. Moving beyond current best practices, we identify critical frontier challenges, including the theoretical limits of synthetic data self-improvement, the mathematical bounds of safety guarantees, and the mechanistic origins of emergent intelligence. By connecting empirical observations with rigorous scientific inquiry, this work provides a structured roadmap for transitioning LLM development from engineering heuristics toward a principled scientific discipline.

cs.CL↗

arXiv2025

The Capabilities and Limitations of Weak-to-Strong Generalization: Generalization and Calibration

Weak-to-strong generalization, where weakly supervised strong models outperform their weaker teachers, offers a promising approach to aligning superhuman models with human values. To deepen the understanding of this approach, we provide theoretical insights into its capabilities and limitations. First, in the classification setting, we establish upper and lower generalization error bounds for the strong model, identifying the primary limitations as stemming from the weak model's generalization error and the optimization objective itself. Additionally, we derive lower and upper bounds on the calibration error of the strong model. These theoretical bounds reveal two critical insights: (1) the weak model should demonstrate strong generalization performance and maintain well-calibrated predictions, and (2) the strong model's training process must strike a careful balance, as excessive optimization could undermine its generalization capability by over-relying on the weak supervision signals. Finally, in the regression setting, we extend the work of Charikar et al. (2024) to a loss function based on Kullback-Leibler (KL) divergence, offering guarantees that the strong student can outperform its weak teacher by at least the magnitude of their disagreement. We conduct sufficient experiments to validate our theory.

cs.LG↗

arXiv2025

On Weak-to-Strong Generalization and f-Divergence

Weak-to-strong generalization (W2SG) has emerged as a promising paradigm for stimulating the capabilities of strong pre-trained models by leveraging supervision from weaker supervisors. To improve the performance of the strong model, existing methods often require additional weak models or complex procedures, leading to substantial computational and memory overhead. Motivated by the effectiveness of $f$-divergence loss in various machine learning domains, we introduce $f$-divergence as an information-theoretic loss function framework in W2SG. Our theoretical analysis reveals fundamental limitations and equivalence of different $f$-divergence losses in W2SG, supported by sample complexity bounds and information-theoretic insights. We empirically demonstrate that $f$-divergence loss, which generalizes widely-used metrics like KL divergence, effectively improves generalization and noise tolerance of the strong model in practice.

cs.LG↗

arXiv2025

Weak-to-Strong Generalization via Bregman Bias-Variance Decomposition

Weak-to-strong generalization (W2SG) is the phenomenon in which a powerful student model, trained on labels produced by a weaker teacher, ultimately outperforms the teacher on the target task. In this work, we theoretically investigate how W2SG can arise via a generalized bias-variance decomposition under Bregman divergence. We show that the expected population risk gap between the student and the teacher is characterized by the expected misfit between the two models. Unlike earlier misfit-based analyses, our theory removes several restrictive assumptions, e.g., it does not require the student hypothesis class to be convex. Our results indicate that W2SG is more likely when the student effectively approximates the teacher's posterior mean. Specializing to squared loss, we provide a sufficient condition (illustrated through a concrete example) under which the student converges to its posterior mean teacher; in particular, increasing the student model size can ensure this convergence. For cross-entropy loss, our analysis further suggests that lowering the entropy of the student's predictive distribution can promote W2SG. We also find that the reverse cross-entropy, unlike the standard forward cross-entropy, is less sensitive to the teacher's predictive uncertainty. Finally, we verify these theoretical insights empirically and demonstrate that incorporating reverse cross-entropy consistently improves student performance.

cs.LG↗

arXiv2025

Theoretical Insights into Fine-Tuning Attention Mechanism: Generalization and Optimization

Large Language Models (LLMs), built on Transformer architectures, exhibit remarkable generalization across a wide range of tasks. However, fine-tuning these models for specific tasks remains resource-intensive due to their extensive parameterization. In this paper, we explore two remarkable phenomena related to the attention mechanism during the fine-tuning of LLMs (where $\mathbf{W}_q$, $\mathbf{W}_k$, and $\mathbf{W}_v$ denote the weights of the query, key, and value layers, respectively). The first phenomenon, termed "Unequal Importance of Attention Matrices", highlights the impact of fine-tuning different weight matrices. It shows that optimizing the $\mathbf{W}_v$ matrix yields significantly better performance than optimizing the $\mathbf{W}_k$ matrix. Fine-tuning only the $\mathbf{W}_q$ and $\mathbf{W}_v$ matrices is computationally efficient while delivering results comparable to, or even better than fine-tuning all three matrices ($\mathbf{W}_q$, $\mathbf{W}_k$, and $\mathbf{W}_v$). The second phenomenon,"Attention Matrices with Customized Learning Rate Lead to Better Convergence", emphasizes the importance of assigning distinct learning rates to these matrices. Specifically, a higher learning rate for the $\mathbf{W}_v$ matrix compared to $\mathbf{W}_q$ and $\mathbf{W}_k$ accelerates convergence and improves performance. Building on these insights, we propose a new strategy that improves fine-tuning efficiency in terms of both storage and time. Experimental results on benchmark datasets validate the effectiveness of this approach, supporting our theoretical findings. Our analysis lays the theoretical groundwork for configuring and improving algorithms in LLMs fine-tuning.

cs.LG↗