Xuheng Li

Chenyuan Yang, Xuheng Li, Md Rakib Hossain Misu et al. · microsoft-research

Generative AI has shown its values for many software engineering tasks. Still in its infancy, large language model (LLM)-based proof generation lags behind LLM-based code generation. In this paper, we present AutoVerus. AutoVerus uses LLMs to automatically generate correctness proof for Rust code. AutoVerus is designed to match the unique features of Verus, a verification tool that can prove the correctness of Rust code using proofs and specifications also written in Rust. AutoVerus consists of a network of LLM agents that are crafted and orchestrated to mimic human experts' three phases of proof construction: preliminary proof generation, proof refinement guided by generic tips, and proof debugging guided by verification errors. To thoroughly evaluate AutoVerus and help foster future research in this direction, we have built a benchmark suite of 150 non-trivial proof tasks, based on existing code-generation benchmarks and verification benchmarks. Our evaluation shows that AutoVerus can automatically generate correct proof for more than 90% of them, with more than half of them tackled in less than 30 seconds or 3 LLM calls.

Xuheng Li, Yihe Deng, Jingfeng Wu et al. · berkeley

Accelerated stochastic gradient descent (ASGD) is a workhorse in deep learning and often achieves better generalization performance than SGD. However, existing optimization theory can only explain the faster convergence of ASGD, but cannot explain its better generalization. In this paper, we study the generalization of ASGD for overparameterized linear regression, which is possibly the simplest setting of learning with overparameterization. We establish an instance-dependent excess risk bound for ASGD within each eigen-subspace of the data covariance matrix. Our analysis shows that (i) ASGD outperforms SGD in the subspace of small eigenvalues, exhibiting a faster rate of exponential decay for bias error, while in the subspace of large eigenvalues, its bias error decays slower than SGD; and (ii) the variance error of ASGD is always larger than that of SGD. Our result suggests that ASGD can outperform SGD when the difference between the initialization and the true weight vector is mostly confined to the subspace of small eigenvalues. Additionally, when our analysis is specialized to linear regression in the strongly convex setting, it yields a tighter bound for bias error than the best-known result.

Tianyu Chen, Shuai Lu, Shan Lu et al.

Ensuring correctness is crucial for code generation. Formal verification offers a definitive assurance of correctness, but demands substantial human effort in proof construction and hence raises a pressing need for automation. The primary obstacle lies in the severe lack of data-there is much fewer proofs than code snippets for Large Language Models (LLMs) to train upon. In this paper, we introduce SAFE, a framework that overcomes the lack of human-written proofs to enable automated proof generation of Rust code. SAFE establishes a self-evolving cycle where data synthesis and fine-tuning collaborate to enhance the model capability, leveraging the definitive power of a symbolic verifier in telling correct proofs from incorrect ones. SAFE also re-purposes the large number of synthesized incorrect proofs to train the self-debugging capability of the fine-tuned models, empowering them to fix incorrect proofs based on the verifier's feedback. SAFE demonstrates superior efficiency and precision compared to GPT-4o. Through tens of thousands of synthesized proofs and the self-debugging mechanism, we improve the capability of open-source models, initially unacquainted with formal verification, to automatically write proofs for Rust code. This advancement leads to a significant improvement in performance, achieving a 52.52% accuracy rate in a benchmark crafted by human experts, a significant leap over GPT-4o's performance of 14.39%.

Shiyuan Zhang, Qiwei Di, Xuheng Li et al.

Underdamped Langevin dynamics (ULD) is a widely-used sampler for Gibbs distributions $π\propto e^{-V}$, and is often empirically effective in high dimensions. However, existing non-asymptotic convergence guarantees for discretized ULD typically scale polynomially with the ambient dimension $d$, leading to vacuous bounds when $d$ is large. The main known dimension-free result concerns the randomized midpoint discretization in Wasserstein-2 distance (Liu et al.,2023), while dimension-independent guarantees for ULD discretizations in KL divergence have remained open. We close this gap by proving the first dimension-free KL divergence bounds for discretized ULD. Our analysis refines the KL local error framework (Altschuler et al., 2025) to a dimension-free setting and yields bounds that depend on $\mathrm{tr}(\mathbf{H})$, where $\mathbf{H}$ upper bounds the Hessian of $V$, rather than on $d$. As a consequence, we obtain improved iteration complexity for underdamped Langevin Monte Carlo relative to overdamped Langevin methods in regimes where $\mathrm{tr}(\mathbf{H})\ll d$.

Xuheng Li, Heyang Zhao, Quanquan Gu

Contextual dueling bandits, where a learner compares two options based on context and receives feedback indicating which was preferred, extends classic dueling bandits by incorporating contextual information for decision-making and preference learning. Several algorithms based on the upper confidence bound (UCB) have been proposed for linear contextual dueling bandits. However, no algorithm based on posterior sampling has been developed in this setting, despite the empirical success observed in traditional contextual bandits. In this paper, we propose a Thompson sampling algorithm, named FGTS.CDB, for linear contextual dueling bandits. At the core of our algorithm is a new Feel-Good exploration term specifically tailored for dueling bandits. This term leverages the independence of the two selected arms, thereby avoiding a cross term in the analysis. We show that our algorithm achieves nearly minimax-optimal regret, i.e., $\tilde{\mathcal{O}}(d\sqrt T)$, where $d$ is the model dimension and $T$ is the time horizon. Finally, we evaluate our algorithm on synthetic data and observe that FGTS.CDB outperforms existing algorithms by a large margin.

Xuheng Li, Quanquan Gu

Variance-dependent regret bounds have received increasing attention in recent studies on contextual bandits. However, most of these studies are focused on upper confidence bound (UCB)-based bandit algorithms, while sampling based bandit algorithms such as Thompson sampling are still understudied. The only exception is the LinVDTS algorithm (Xu et al., 2023), which is limited to linear reward function and its regret bound is not optimal with respect to the model dimension. In this paper, we present FGTSVA, a variance-aware Thompson Sampling algorithm for contextual bandits with general reward function with optimal regret bound. At the core of our analysis is an extension of the decoupling coefficient, a technique commonly used in the analysis of Feel-good Thompson sampling (FGTS) that reflects the complexity of the model space. With the new decoupling coefficient denoted by $\mathrm{dc}$, FGTS-VA achieves the regret of $\tilde{O}(\sqrt{\mathrm{dc}\cdot\log|\mathcal{F}|\sum_{t=1}^Tσ_t^2}+\mathrm{dc})$, where $|\mathcal{F}|$ is the size of the model space, $T$ is the total number of rounds, and $σ_t^2$ is the subgaussian norm of the noise (e.g., variance when the noise is Gaussian) at round $t$. In the setting of contextual linear bandits, the regret bound of FGTSVA matches that of UCB-based algorithms using weighted linear regression (Zhou and Gu, 2022).

Xuheng Li, Quanquan Gu

Exponential moving average (EMA) has recently gained significant popularity in training modern deep learning models, especially diffusion-based generative models. However, there have been few theoretical results explaining the effectiveness of EMA. In this paper, to better understand EMA, we establish the risk bound of online SGD with EMA for high-dimensional linear regression, one of the simplest overparameterized learning tasks that shares similarities with neural networks. Our results indicate that (i) the variance error of SGD with EMA is always smaller than that of SGD without averaging, and (ii) unlike SGD with iterate averaging from the beginning, the bias error of SGD with EMA decays exponentially in every eigen-subspace of the data covariance matrix. Additionally, we develop proof techniques applicable to the analysis of a broad class of averaging schemes.

Qiwei Di, Kaixuan Ji, Xuheng Li et al.

LLM inference often generates a batch of candidates for a prompt and selects one via strategies like majority voting or Best-of- N (BoN). For difficult tasks, this single-shot selection often underperforms. Consequently, evaluations commonly report Pass@$k$: the agent may submit up to $k$ responses, and only the best of them is used when computing regret. Motivated by this, we study inference scaling in the more general Pass@$k$ inference setting, and prove that neither majority voting nor BoN exhibits the desirable scaling with $k$ and the sampling budget $N$. Combining the advantages of majority voting and BoN, we propose a new inference strategy called Best-of-Majority (BoM), with a pivotal step that restricts the candidates to the responses with high frequency in the $N$ samples before selecting the top-$k$ rewards. We prove that when the sampling budget is $N=\tildeΩ(C^*)$, the regret of BoM is $O(ε_{\mathrm{opt}}+\sqrt{ε_{\mathrm{RM}}^2C^*/k})$, where $C^*$ is the coverage coefficient, $ε_{\mathrm{RM}}$ is the estimation error of the reward model, and $ε_{\mathrm{opt}}$ is the estimation error of reward at the optimal response. We further establish a matching lower bound, certifying that our algorithm is minimax optimal. Beyond optimality, BoM has a key advantage: unlike majority voting and BoN, its performance does not degrade when increasing $N$. Experimental results of inference on math problems show BoM outperforming both majority voting and BoN.