As large language models advance toward superhuman performance, ensuring their alignment with human values and abilities grows increasingly complex. Weak-to-strong generalization offers a promising approach by leveraging predictions from weaker models to guide stronger systems, but its effectiveness could be constrained by the inherent noise and inaccuracies in these weak predictions. To address this, we propose a theoretically grounded approach that replaces forward KL divergence-whose mass-covering behavior risks overfitting to imperfect weak signals-with reverse KL divergence. Reverse KL divergence's zero-forcing effect prioritizes high-confidence predictions, effectively mitigating the influence of unreliable weak supervision. Theoretically, we extend existing bounds and derive tighter lower bounds for both forward and reverse KL divergence, establishing that reverse KL achieves at least comparable guarantees to forward KL. Notably, when a sufficiently pre-trained strong model is fine-tuned on the last layer, reverse KL uniquely guarantees that it outperforms its weak supervisor by the magnitude of their disagreement-a guarantee that forward KL cannot provide. Empirically, we demonstrate that reverse KL and reverse cross-entropy enable strong models to consistently outperform those trained with forward KL and standard cross-entropy across most settings, highlighting the practical advantages of these reverse losses.

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.

Bilevel optimization, addressing challenges in hierarchical learning tasks, has gained significant interest in machine learning. The practical implementation of the gradient descent method to bilevel optimization encounters computational hurdles, notably the computation of the exact lower-level solution and the inverse Hessian of the lower-level objective. Although these two aspects are inherently connected, existing methods typically handle them separately by solving the lowerlevel problem and a linear system for the inverse Hessian-vector product. In this paper, we introduce a general framework to address these computational challenges in a coordinated manner. Specifically, we leverage quasi-Newton algorithms to accelerate the resolution of the lower-level problem while efficiently approximating the inverse Hessian-vector product. Furthermore, by exploiting the superlinear convergence properties of BFGS, we establish the non-asymptotic convergence analysis of the BFGS adaptation within our framework. Numerical experiments demonstrate the comparable or superior performance of the proposed algorithms in real-world learning tasks, including hyperparameter optimization, data hypercleaning, and few-shot meta-learning. Bilevel optimization (BLO), which addresses challenges in hierarchical decision process, has gained significant interest in many real-world applications.

Human emotion synthesis is a crucial aspect of affective computing. It involves using computational methods to mimic and convey human emotions through various modalities, with the goal of enabling more natural and effective human-computer interactions. Recent advancements in generative models, such as Autoencoders, Generative Adversarial Networks, Diffusion Models, Large Language Models, and Sequence-to-Sequence Models, have significantly contributed to the development of this field. However, there is a notable lack of comprehensive reviews in this field. To address this problem, this paper aims to address this gap by providing a thorough and systematic overview of recent advancements in human emotion synthesis based on generative models. Specifically, this review will first present the review methodology, the emotion models involved, the mathematical principles of generative models, and the datasets used. Then, the review covers the application of different generative models to emotion synthesis based on a variety of modalities, including facial images, speech, and text. It also examines mainstream evaluation metrics. Additionally, the review presents some major findings and suggests future research directions, providing a comprehensive understanding of the role of generative technology in the nuanced domain of emotion synthesis.

Consider the math problem: "Lily received 3 cookies from her best friend yesterday and ate 5 for breakfast. Today, her friend gave her 3 more cookies. How many cookies does Lily have now?" Many large language models (LLMs) in previous research approach this problem by calculating the answer "1" using the equation "3 - 5 + 3." However, from a human perspective, we recognize the inherent flaw in this problem: Lily cannot eat 5 cookies if she initially only had 3. This discrepancy prompts a key question: Are current LLMs merely Blind Solver that apply mathematical operations without deeper reasoning, or can they function as Logical Thinker capable of identifying logical inconsistencies? To explore this question, we propose a benchmark dataset, FaultyMath, which includes faulty math problems of rich diversity: i) multiple mathematical categories, e.g., algebra, geometry, number theory, etc., ii) varying levels of difficulty, and iii) different origins of faultiness -- ranging from violations of common sense and ambiguous statements to mathematical contradictions and more. We evaluate a broad spectrum of LLMs, including open-source, closed-source, and math-specialized models, using FaultyMath across three dimensions: (i) How accurately can the models detect faulty math problems without being explicitly prompted to do so? (ii) When provided with hints -- either correct or misleading -- about the validity of the problems, to what extent do LLMs adapt to become reliable Logical Thinker? (iii) How trustworthy are the explanations generated by LLMs when they recognize a math problem as flawed? Through extensive experimentation and detailed analysis, our results demonstrate that existing LLMs largely function as Blind Solver and fall short of the reasoning capabilities required to perform as Logical Thinker.

Model ensemble adversarial attack has become a powerful method for generating transferable adversarial examples that can target even unknown models, but its theoretical foundation remains underexplored. To address this gap, we provide early theoretical insights that serve as a roadmap for advancing model ensemble adversarial attack. We first define transferability error to measure the error in adversarial transferability, alongside concepts of diversity and empirical model ensemble Rademacher complexity. We then decompose the transferability error into vulnerability, diversity, and a constant, which rigidly explains the origin of transferability error in model ensemble attack: the vulnerability of an adversarial example to ensemble components, and the diversity of ensemble components. Furthermore, we apply the latest mathematical tools in information theory to bound the transferability error using complexity and generalization terms, contributing to three practical guidelines for reducing transferability error: (1) incorporating more surrogate models, (2) increasing their diversity, and (3) reducing their complexity in cases of overfitting.

While stochastic bilevel optimization methods have been extensively studied for addressing large-scale nested optimization problems in machine learning, it remains an open question whether the optimal complexity bounds for solving bilevel optimization are the same as those in single-level optimization. Our main result resolves this question: SPABA, an adaptation of the PAGE method for nonconvex optimization in (Li et al., 2021) to the bilevel setting, can achieve optimal sample complexity in both the finite-sum and expectation settings. We show the optimality of SPABA by proving that there is no gap in complexity analysis between stochastic bilevel and single-level optimization when implementing PAGE. Notably, as indicated by the results of (Dagr\'eou et al., 2022), there might exist a gap in complexity analysis when implementing other stochastic gradient estimators, like SGD and SAGA. In addition to SPABA, we propose several other single-loop stochastic bilevel algorithms, that either match or improve the state-of-the-art sample complexity results, leveraging our convergence rate and complexity analysis. Numerical experiments demonstrate the superior practical performance of the proposed methods.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

Ensuring the trustworthiness of large language models (LLMs) is crucial. Most studies concentrate on fully pre-trained LLMs to better understand and improve LLMs' trustworthiness. In this paper, to reveal the untapped potential of pre-training, we pioneer the exploration of LLMs' trustworthiness during this period, focusing on five key dimensions: reliability, privacy, toxicity, fairness, and robustness. To begin with, we apply linear probing to LLMs. The high probing accuracy suggests that \textit{LLMs in early pre-training can already distinguish concepts in each trustworthiness dimension}. Therefore, to further uncover the hidden possibilities of pre-training, we extract steering vectors from a LLM's pre-training checkpoints to enhance the LLM's trustworthiness. Finally, inspired by~\citet{choi2023understanding} that mutual information estimation is bounded by linear probing accuracy, we also probe LLMs with mutual information to investigate the dynamics of trustworthiness during pre-training. We are the first to observe a similar two-phase phenomenon: fitting and compression~\citep{shwartz2017opening}. This research provides an initial exploration of trustworthiness modeling during LLM pre-training, seeking to unveil new insights and spur further developments in the field. We will make our code publicly accessible at \url{https://github.com/ChnQ/TracingLLM}.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.