Agentic Transformers Provably Learn to Search via Reinforcement Learning

Tree search is a central abstraction behind many language-agent reasoning and decision-making tasks: agents must explore actions, remember failures, and backtrack toward promising alternatives. Yet, we lack a theoretical understanding of how transformer-based policies acquire such search capabilities from the training dynamics of reinforcement learning (RL). We study this question in a stochastic $k$-ary tree environment, where an agentic transformer observes only its trajectory history through interaction and receives a terminal reward for reaching a hidden leaf goal node. We first construct a two-head transformer that implements randomized depth-first search (DFS): one head tracks previous actions, while the other detects failure outcomes and triggers backtracking. We then analyze the training dynamics of policy gradient under a depth-wise curriculum, showing that this same DFS mechanism emerges in stages from sparse reinforcement feedback without expert demonstrations. The resulting policy exhibits depth generalization: after training only on depth-$1$ and depth-$2$ trees, it succeeds on deeper full trees. We further show that, under imbalanced goal distributions, discounting the return leads to a ranked DFS policy that prioritizes higher-probability branches. Overall, our results identify a mechanistic normal form for transformer-based search, in which attention heads specialize and cooperate to extract decision-relevant traces from context and convert them into agentic action selection via RL training.

From Scores to Gibbs Correctors: Accelerating Uniform-Rate Discrete Diffusion Models

Discrete diffusion models have achieved strong empirical performance in text and other symbolic domains, but, especially for uniform-rate models, they often require many steps to generate a single sample. Existing acceleration methods either rely on training additional quantities or suffer from slow mixing. In this work, we propose a novel Gibbs-based corrector for discrete diffusion models, termed Gibbs-Accelerated Discrete Diffusion (GADD). GADD leverages the structure of the concrete score function to construct Gibbs posterior likelihoods directly, without requiring any additional training beyond standard score estimation. We show that GADD achieves an overall sampling complexity of $\mathcal{O}(\mathrm{polylog} (\varepsilon^{-1}))$, yielding the first such rate for diffusion-based samplers for uniform-rate discrete diffusion models. We also conduct numerical experiments demonstrating the practical advantages of GADD across synthetic data, zero-shot text sampling, and zero-shot conditional music generation. These results corroborate the theory and show that GADD consistently improves sample quality and wall-clock efficiency over standard baselines, including vanilla Euler methods and CTMC correctors. Beyond this, our theoretical analysis introduces a novel framework for analyzing predictor-corrector methods in discrete diffusion models, which may be of independent interest. Unlike existing approaches that rely on the Girsanov change-of-measure technique, our method is based on an induction argument that tracks error propagation across predictor iterations while accounting for inaccuracies in the corrector updates.

Reinforcement Learning from Multi-Source Imperfect Preferences: Best-of-Both-Regimes Regret

Reinforcement learning from human feedback (RLHF) replaces hard-to-specify rewards with pairwise trajectory preferences, yet regret-oriented theory often assumes that preference labels are generated consistently from a single ground-truth objective. In practical RLHF systems, however, feedback is typically \emph{multi-source} (annotators, experts, reward models, heuristics) and can exhibit systematic, persistent mismatches due to subjectivity, expertise variation, and annotation/modeling artifacts. We study episodic RL from \emph{multi-source imperfect preferences} through a cumulative imperfection budget: for each source, the total deviation of its preference probabilities from an ideal oracle is at most $ω$ over $K$ episodes. We propose a unified algorithm with regret $\tilde{O}(\sqrt{K/M}+ω)$, which exhibits a best-of-both-regimes behavior: it achieves $M$-dependent statistical gains when imperfection is small (where $M$ is the number of sources), while remaining robust with unavoidable additive dependence on $ω$ when imperfection is large. We complement this with a lower bound $\tildeΩ(\max\{\sqrt{K/M},ω\})$, which captures the best possible improvement with respect to $M$ and the unavoidable dependence on $ω$, and a counterexample showing that naïvely treating imperfect feedback as as oracle-consistent can incur regret as large as $\tildeΩ(\min\{ω\sqrt{K},K\})$. Technically, our approach involves imperfection-adaptive weighted comparison learning, value-targeted transition estimation to control hidden feedback-induced distribution shift, and sub-importance sampling to keep the weighted objectives analyzable, yielding regret guarantees that quantify when multi-source feedback provably improves RLHF and how cumulative imperfection fundamentally limits it.

HIPO: Instruction Hierarchy via Constrained Reinforcement Learning

Hierarchical Instruction Following (HIF) refers to the problem of prompting large language models with a priority-ordered stack of instructions. Standard methods like RLHF and DPO typically fail in this problem since they mainly optimize for a single objective, failing to explicitly enforce system prompt compliance. Meanwhile, supervised fine-tuning relies on mimicking filtered, compliant data, which fails to establish the priority asymmetry at the algorithmic level. In this paper, we introduce \textsc{HIPO}, a novel alignment framework that formulates HIF as a Constrained Markov Decision Process. \textsc{HIPO} elevates system prompts from mere input context to strict algorithmic boundaries. Using a primal-dual safe reinforcement learning approach, the algorithm dynamically enforces system prompt compliance as an explicit constraint, maximizing user utility strictly within this feasible region. Extensive evaluations across diverse model architectures (e.g., Qwen, Phi, Llama) demonstrate that \textsc{HIPO} significantly improves both system compliance and user utility. Furthermore, mechanistic analysis reveals that this constrained optimization autonomously drives the model to shift its attention toward long-range system tokens, providing a principled foundation for reliable LLM deployment in complex workflows.

Why Adam Can Beat SGD: Second-Moment Normalization Yields Sharper Tails

Despite Adam demonstrating faster empirical convergence than SGD in many applications, much of the existing theory yields guarantees essentially comparable to those of SGD, leaving the empirical performance gap insufficiently explained. In this paper, we uncover a key second-moment normalization in Adam and develop a stopping-time/martingale analysis that provably distinguishes Adam from SGD under the classical bounded variance model (a second moment assumption). In particular, we establish the first theoretical separation between the high-probability convergence behaviors of the two methods: Adam achieves a $δ^{-1/2}$ dependence on the confidence parameter $δ$, whereas corresponding high-probability guarantee for SGD necessarily incurs at least a $δ^{-1}$ dependence.

Sharp Convergence Rates for Masked Diffusion Models

Discrete diffusion models have achieved strong empirical performance in text and other symbolic domains, with masked (absorbing-rate) variants emerging as competitive alternatives to autoregressive models. Among existing samplers, the Euler method remains the standard choice in many applications, and more recently, the First-Hitting Sampler (FHS) has shown considerable promise for masked diffusion models. Despite their practical success, the theoretical understanding of these samplers remains limited. Existing analyses are conducted in Kullback-Leibler (KL) divergence, which often yields loose parameter dependencies and requires strong assumptions on score estimation. Moreover, these guarantees do not cover recently developed high-performance sampler of FHS. In this work, we first develop a direct total-variation (TV) based analysis for the Euler method that overcomes these limitations. Our results relax assumptions on score estimation, improve parameter dependencies, and establish convergence guarantees without requiring any surrogate initialization. Also for this setting, we provide the first convergence lower bound for the Euler sampler, establishing tightness with respect to both the data dimension $d$ and the target accuracy $\varepsilon$. Finally, we analyze the FHS sampler and show that it incurs no sampling error beyond that induced by score estimation, which we show to be tight with a matching lower error bound. Overall, our analysis introduces a direct TV-based error decomposition along the CTMC trajectory and a decoupling-based path-wise analysis for FHS, which may be of independent interest.

On the Learning Dynamics of RLVR at the Edge of Competence

Reinforcement learning with verifiable rewards (RLVR) has been a main driver of recent breakthroughs in large reasoning models. Yet it remains a mystery how rewards based solely on final outcomes can help overcome the long-horizon barrier to extended reasoning. To understand this, we develop a theory of the training dynamics of RL for transformers on compositional reasoning tasks. Our theory characterizes how the effectiveness of RLVR is governed by the smoothness of the difficulty spectrum. When data contains abrupt discontinuities in difficulty, learning undergoes grokking-type phase transitions, producing prolonged plateaus before progress recurs. In contrast, a smooth difficulty spectrum leads to a relay effect: persistent gradient signals on easier problems elevate the model's capabilities to the point where harder ones become tractable, resulting in steady and continuous improvement. Our theory explains how RLVR can improve performance at the edge of competence, and suggests that appropriately designed data mixtures can yield scalable gains. As a technical contribution, our analysis develops and adapts tools from Fourier analysis on finite groups to our setting. We validate the predicted mechanisms empirically via synthetic experiments.

Constraint-Rectified Training for Efficient Chain-of-Thought

Chain-of-Thought (CoT) has significantly enhanced the reasoning capabilities of Large Language Models (LLMs), especially when combined with reinforcement learning (RL) based post-training methods. While longer reasoning traces can improve answer quality and unlock abilities such as self-correction, they also incur high inference costs and often introduce redundant steps, known as overthinking. Recent research seeks to develop efficient reasoning strategies that balance reasoning length and accuracy, either through length-aware reward design or prompt-based calibration. However, these heuristic-based approaches may suffer from severe accuracy drop and be very sensitive to hyperparameters. To address these problems, we introduce CRT (Constraint-Rectified Training), a principled post-training framework based on reference-guarded constrained optimization, yielding a more stable and interpretable formulation for efficient reasoning. CRT alternates between minimizing reasoning length and rectifying accuracy only when performance falls below the reference, enabling stable and effective pruning of redundant reasoning. We further extend CRT with a two-stage training scheme that first discovers the shortest reliable reasoning patterns and then refines accuracy under a learnt length budget, preventing the re-emergence of verbose CoT. Our comprehensive evaluation shows that this framework consistently reduces token usage while maintaining answer quality at a robust and reliable level. Further analysis reveals that CRT improves reasoning efficiency not only by shortening responses but also by reducing internal language redundancy, leading to a new evaluation metric. Moreover, CRT-based training naturally yields a sequence of intermediate checkpoints that span a spectrum of explanation lengths while preserving correctness, enabling fine-grained control over reasoning verbosity without retraining.

Reward Modeling for Reinforcement Learning-Based LLM Reasoning: Design, Challenges, and Evaluation

Large Language Models (LLMs) demonstrate transformative potential, yet their reasoning remains inconsistent and unreliable. Reinforcement learning (RL)-based fine-tuning is a key mechanism for improvement, but its effectiveness is fundamentally governed by reward design. Despite its importance, the relationship between reward modeling and core LLM challenges--such as evaluation bias, hallucination, distribution shift, and efficient learning--remains poorly understood. This work argues that reward modeling is not merely an implementation detail but a central architect of reasoning alignment, shaping what models learn, how they generalize, and whether their outputs can be trusted. We introduce Reasoning-Aligned Reinforcement Learning (RARL), a unifying framework that systematizes diverse reward paradigms for multi-step reasoning. Within this framework, we present a taxonomy of reward mechanisms, analyze reward hacking as a pervasive failure mode, and examine how reward signals unify challenges ranging from inference-time scaling to hallucination mitigation. We further critically evaluate existing benchmarks, highlighting vulnerabilities such as data contamination and reward misalignment, and outline directions for more robust evaluation. By integrating fragmented research threads and clarifying the interplay between reward design and fundamental reasoning capabilities, this work provides a foundational roadmap for building reasoning models that are robust, verifiable, and trustworthy.

Learnable Chernoff Baselines for Inference-Time Alignment

We study inference-time reward-guided alignment for generative models. Existing methods often rely on either architecture-specific adaptations or computationally costly inference procedures. We introduce Learnable Chernoff Baselines (LCBs) as a method for efficiently and approximately sampling from the exponentially tilted kernels that arise from KL-regularized reward alignment. Using only black-box sampling access to the pretrained model, LCBs implement a form of rejection sampling with adaptively selected acceptance probabilities, which allows fine-grained control over inference-compute scaling. We establish total-variation guarantees to the ideal aligned model, and demonstrate in both continuous and discrete diffusion settings that LCB sampling closely matches ideal rejection sampling while using substantially fewer queries to the pretrained model.