BOLT: Bootstrap Long Chain-of-Thought in Language Models without Distillation

Large language models (LLMs), such as o1 from OpenAI, have demonstrated remarkable reasoning capabilities. o1 generates a long chain-of-thought (LongCoT) before answering a question. LongCoT allows LLMs to analyze problems, devise plans, reflect, and backtrack effectively. These actions empower LLM to solve complex problems. After the release of o1, many teams have attempted to replicate its LongCoT and reasoning capabilities. In terms of methods, they primarily rely on knowledge distillation with data from existing models with LongCoT capacities (e.g., OpenAI-o1, Qwen-QwQ, DeepSeek-R1-Preview), leaving significant uncertainties on systematically developing such reasoning abilities. In terms of data domains, these works focus narrowly on math while a few others include coding, limiting their generalizability. This paper introduces a novel approach to enable LLM's LongCoT capacity without distillation from o1-like models or expensive human annotations, where we bootstrap LongCoT (BOLT) from a standard instruct model. BOLT involves three stages: 1) LongCoT data bootstrapping with in-context learning on a standard instruct model; 2) LongCoT supervised finetuning; 3) online training to further refine LongCoT capacities. In BOLT, only a few in-context examples need to be constructed during the bootstrapping stage; in our experiments, we created 10 examples, demonstrating the feasibility of this approach. We use Llama-3.1-70B-Instruct to bootstrap LongCoT and apply our method to various model scales (7B, 8B, 70B). We achieve impressive performance on a variety of benchmarks, Arena-Hard, MT-Bench, WildBench, ZebraLogic, MATH500, which evaluate diverse task-solving and reasoning capabilities.

Reward-Guided Speculative Decoding for Efficient LLM Reasoning

We introduce Reward-Guided Speculative Decoding (RSD), a novel framework aimed at improving the efficiency of inference in large language models (LLMs). RSD synergistically combines a lightweight draft model with a more powerful target model, incorporating a controlled bias to prioritize high-reward outputs, in contrast to existing speculative decoding methods that enforce strict unbiasedness. RSD employs a process reward model to evaluate intermediate decoding steps and dynamically decide whether to invoke the target model, optimizing the trade-off between computational cost and output quality. We theoretically demonstrate that a threshold-based mixture strategy achieves an optimal balance between resource utilization and performance. Extensive evaluations on challenging reasoning benchmarks, including Olympiad-level tasks, show that RSD delivers significant efficiency gains against decoding with the target model only (up to 4.4x fewer FLOPs), while achieving significant better accuracy than parallel decoding method on average (up to +3.5). These results highlight RSD as a robust and cost-effective approach for deploying LLMs in resource-intensive scenarios.

Offline Reinforcement Learning for LLM Multi-Step Reasoning

Improving the multi-step reasoning ability of large language models (LLMs) with offline reinforcement learning (RL) is essential for quickly adapting them to complex tasks. While Direct Preference Optimization (DPO) has shown promise in aligning LLMs with human preferences, it is less suitable for multi-step reasoning tasks because (1) DPO relies on paired preference data, which is not readily available for multi-step reasoning tasks, and (2) it treats all tokens uniformly, making it ineffective for credit assignment in multi-step reasoning tasks, which often come with sparse reward. In this work, we propose OREO (Offline Reasoning Optimization), an offline RL method for enhancing LLM multi-step reasoning. Building on insights from previous works of maximum entropy reinforcement learning, it jointly learns a policy model and value function by optimizing the soft Bellman Equation. We show in principle that it reduces the need to collect pairwise data and enables better credit assignment. Empirically, OREO surpasses existing offline learning methods on multi-step reasoning benchmarks, including mathematical reasoning tasks (GSM8K, MATH) and embodied agent control (ALFWorld). The approach can be extended to a multi-iteration framework when additional resources are available. Furthermore, the learned value function can be leveraged to guide the tree search for free, which can further boost performance during test time.

Entropy-Regularized Process Reward Model

Large language models (LLMs) have shown promise in performing complex multi-step reasoning, yet they continue to struggle with mathematical reasoning, often making systematic errors. A promising solution is reinforcement learning (RL) guided by reward models, particularly those focusing on process rewards, which score each intermediate step rather than solely evaluating the final outcome. This approach is more effective at guiding policy models towards correct reasoning trajectories. In this work, we propose an entropy-regularized process reward model (ER-PRM) that integrates KL-regularized Markov Decision Processes (MDP) to balance policy optimization with the need to prevent the policy from shifting too far from its initial distribution. We derive a novel reward construction method based on the theoretical results. Our theoretical analysis shows that we could derive the optimal reward model from the initial policy sampling. Our empirical experiments on the MATH and GSM8K benchmarks demonstrate that ER-PRM consistently outperforms existing process reward models, achieving 1% improvement on GSM8K and 2-3% improvement on MATH under best-of-N evaluation, and more than 1% improvement under RLHF. These results highlight the efficacy of entropy-regularization in enhancing LLMs' reasoning capabilities.

Automatic Curriculum Expert Iteration for Reliable LLM Reasoning

Hallucinations (i.e., generating plausible but inaccurate content) and laziness (i.e. excessive refusals or defaulting to "I don't know") persist as major challenges in LLM reasoning. Current efforts to reduce hallucinations primarily focus on factual errors in knowledge-grounded tasks, often neglecting hallucinations related to faulty reasoning. Meanwhile, some approaches render LLMs overly conservative, limiting their problem-solving capabilities. To mitigate hallucination and laziness in reasoning tasks, we propose Automatic Curriculum Expert Iteration (Auto-CEI) to enhance LLM reasoning and align responses to the model's capabilities--assertively answering within its limits and declining when tasks exceed them. In our method, Expert Iteration explores the reasoning trajectories near the LLM policy, guiding incorrect paths back on track to reduce compounding errors and improve robustness; it also promotes appropriate "I don't know" responses after sufficient reasoning attempts. The curriculum automatically adjusts rewards, incentivizing extended reasoning before acknowledging incapability, thereby pushing the limits of LLM reasoning and aligning its behaviour with these limits. We compare Auto-CEI with various SOTA baselines across logical reasoning, mathematics, and planning tasks, where Auto-CEI achieves superior alignment by effectively balancing assertiveness and conservativeness.

MathHay: An Automated Benchmark for Long-Context Mathematical Reasoning in LLMs

Recent large language models (LLMs) have demonstrated versatile capabilities in long-context scenarios. Although some recent benchmarks have been developed to evaluate the long-context capabilities of LLMs, there is a lack of benchmarks evaluating the mathematical reasoning abilities of LLMs over long contexts, which is crucial for LLMs' application in real-world scenarios. In this paper, we introduce MathHay, an automated benchmark designed to assess the long-context mathematical reasoning capabilities of LLMs. Unlike previous benchmarks like Needle in a Haystack, which focus primarily on information retrieval within long texts, MathHay demands models with both information-seeking and complex mathematical reasoning abilities. We conduct extensive experiments on MathHay to assess the long-context mathematical reasoning abilities of eight top-performing LLMs. Even the best-performing model, Gemini-1.5-Pro-002, still struggles with mathematical reasoning over long contexts, achieving only 51.26% accuracy at 128K tokens. This highlights the significant room for improvement on the MathHay benchmark.

FIRST: Teach A Reliable Large Language Model Through Efficient Trustworthy Distillation

Large language models (LLMs) have become increasingly prevalent in our daily lives, leading to an expectation for LLMs to be trustworthy -- - both accurate and well-calibrated (the prediction confidence should align with its ground truth correctness likelihood). Nowadays, fine-tuning has become the most popular method for adapting a model to practical usage by significantly increasing accuracy on downstream tasks. Despite the great accuracy it achieves, we found fine-tuning is still far away from satisfactory trustworthiness due to "tuning-induced mis-calibration". In this paper, we delve deeply into why and how mis-calibration exists in fine-tuned models, and how distillation can alleviate the issue. Then we further propose a brand new method named Efficient Trustworthy Distillation (FIRST), which utilizes a small portion of teacher's knowledge to obtain a reliable language model in a cost-efficient way. Specifically, we identify the "concentrated knowledge" phenomenon during distillation, which can significantly reduce the computational burden. Then we apply a "trustworthy maximization" process to optimize the utilization of this small portion of concentrated knowledge before transferring it to the student. Experimental results demonstrate the effectiveness of our method, where better accuracy (+2.3%) and less mis-calibration (-10%) are achieved on average across both in-domain and out-of-domain scenarios, indicating better trustworthiness.

ThinK: Thinner Key Cache by Query-Driven Pruning

Large Language Models (LLMs) have revolutionized the field of natural language processing, achieving unprecedented performance across a variety of applications by leveraging increased model sizes and sequence lengths. However, the associated rise in computational and memory costs poses significant challenges, particularly in managing long sequences due to the quadratic complexity of the transformer attention mechanism. This paper focuses on the long-context scenario, addressing the inefficiencies in KV cache memory consumption during inference. Unlike existing approaches that optimize the memory based on the sequence lengths, we uncover that the channel dimension of the KV cache exhibits significant redundancy, characterized by unbalanced magnitude distribution and low-rank structure in attention weights. Based on these observations, we propose ThinK, a novel query-dependent KV cache pruning method designed to minimize attention weight loss while selectively pruning the least significant channels. Our approach not only maintains or enhances model accuracy but also achieves a reduction in memory costs by over 20% compared with vanilla KV cache eviction methods. Extensive evaluations on the LLaMA3 and Mistral models across various long-sequence datasets confirm the efficacy of ThinK, setting a new precedent for efficient LLM deployment without compromising performance. We also outline the potential of extending our method to value cache pruning, demonstrating ThinK's versatility and broad applicability in reducing both memory and computational overheads.

Faster Sampling via Stochastic Gradient Proximal Sampler

Stochastic gradients have been widely integrated into Langevin-based methods to improve their scalability and efficiency in solving large-scale sampling problems. However, the proximal sampler, which exhibits much faster convergence than Langevin-based algorithms in the deterministic setting Lee et al. (2021), has yet to be explored in its stochastic variants. In this paper, we study the Stochastic Proximal Samplers (SPS) for sampling from non-log-concave distributions. We first establish a general framework for implementing stochastic proximal samplers and establish the convergence theory accordingly. We show that the convergence to the target distribution can be guaranteed as long as the second moment of the algorithm trajectory is bounded and restricted Gaussian oracles can be well approximated. We then provide two implementable variants based on Stochastic gradient Langevin dynamics (SGLD) and Metropolis-adjusted Langevin algorithm (MALA), giving rise to SPS-SGLD and SPS-MALA. We further show that SPS-SGLD and SPS-MALA can achieve $\epsilon$-sampling error in total variation (TV) distance within $\tilde{\mathcal{O}}(d\epsilon^{-2})$ and $\tilde{\mathcal{O}}(d^{1/2}\epsilon^{-2})$ gradient complexities, which outperform the best-known result by at least an $\tilde{\mathcal{O}}(d^{1/3})$ factor. This enhancement in performance is corroborated by our empirical studies on synthetic data with various dimensions, demonstrating the efficiency of our proposed algorithm.

Reverse Transition Kernel: A Flexible Framework to Accelerate Diffusion Inference

To generate data from trained diffusion models, most inference algorithms, such as DDPM, DDIM, and other variants, rely on discretizing the reverse SDEs or their equivalent ODEs. In this paper, we view such approaches as decomposing the entire denoising diffusion process into several segments, each corresponding to a reverse transition kernel (RTK) sampling subproblem. Specifically, DDPM uses a Gaussian approximation for the RTK, resulting in low per-subproblem complexity but requiring a large number of segments (i.e., subproblems), which is conjectured to be inefficient. To address this, we develop a general RTK framework that enables a more balanced subproblem decomposition, resulting in $\tilde O(1)$ subproblems, each with strongly log-concave targets. We then propose leveraging two fast sampling algorithms, the Metropolis-Adjusted Langevin Algorithm (MALA) and Underdamped Langevin Dynamics (ULD), for solving these strongly log-concave subproblems. This gives rise to the RTK-MALA and RTK-ULD algorithms for diffusion inference. In theory, we further develop the convergence guarantees for RTK-MALA and RTK-ULD in total variation (TV) distance: RTK-ULD can achieve $\epsilon$ target error within $\tilde{\mathcal O}(d^{1/2}\epsilon^{-1})$ under mild conditions, and RTK-MALA enjoys a $\mathcal{O}(d^{2}\log(d/\epsilon))$ convergence rate under slightly stricter conditions. These theoretical results surpass the state-of-the-art convergence rates for diffusion inference and are well supported by numerical experiments.