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Jul 16

Reasoning by Superposition: A Theoretical Perspective on Chain of Continuous Thought

Large Language Models (LLMs) have demonstrated remarkable performance in many applications, including challenging reasoning problems via chain-of-thoughts (CoTs) techniques that generate ``thinking tokens'' before answering the questions. While existing theoretical works demonstrate that CoTs with discrete tokens boost the capability of LLMs, recent work on continuous CoTs lacks a theoretical understanding of why it outperforms discrete counterparts in various reasoning tasks such as directed graph reachability, a fundamental graph reasoning problem that includes many practical domain applications as special cases. In this paper, we prove that a two-layer transformer with D steps of continuous CoTs can solve the directed graph reachability problem, where D is the diameter of the graph, while the best known result of constant-depth transformers with discrete CoTs requires O(n^2) decoding steps where n is the number of vertices (D<n). In our construction, each continuous thought vector is a superposition state that encodes multiple search frontiers simultaneously (i.e., parallel breadth-first search (BFS)), while discrete CoTs must choose a single path sampled from the superposition state, which leads to sequential search that requires many more steps and may be trapped into local solutions. We also performed extensive experiments to verify that our theoretical construction aligns well with the empirical solution obtained via training dynamics. Notably, encoding of multiple search frontiers as a superposition state automatically emerges in training continuous CoTs, without explicit supervision to guide the model to explore multiple paths simultaneously.

Continuous Chain of Thought Enables Parallel Exploration and Reasoning

Current language models generate chain-of-thought traces by autoregressively sampling tokens from a finite vocabulary. While this discrete sampling has achieved remarkable success, conducting chain-of-thought with continuously-valued tokens (CoT2) offers a richer and more expressive alternative. Our work examines the benefits of CoT2 through logical reasoning tasks that inherently require search capabilities and provide optimization and exploration methods for CoT2. Theoretically, we show that CoT2 allows the model to track multiple traces in parallel and quantify its benefits for inference efficiency. Notably, one layer transformer equipped with CoT2 can provably solve the combinatorial "subset sum problem" given sufficient embedding dimension. These insights lead to a novel and effective supervision strategy where we match the softmax outputs to the empirical token distributions of a set of target traces. Complementing this, we introduce sampling strategies that unlock policy optimization and self-improvement for CoT2. Our first strategy samples and composes K discrete tokens at each decoding step to control the level of parallelism, and reduces to standard CoT when K=1. Our second strategy relies on continuous exploration over the probability simplex. Experiments confirm that policy optimization with CoT2 indeed improves the performance of the model beyond its initial discrete or continuous supervision.

Automatic Chain of Thought Prompting in Large Language Models

Large language models (LLMs) can perform complex reasoning by generating intermediate reasoning steps. Providing these steps for prompting demonstrations is called chain-of-thought (CoT) prompting. CoT prompting has two major paradigms. One leverages a simple prompt like "Let's think step by step" to facilitate step-by-step thinking before answering a question. The other uses a few manual demonstrations one by one, each composed of a question and a reasoning chain that leads to an answer. The superior performance of the second paradigm hinges on the hand-crafting of task-specific demonstrations one by one. We show that such manual efforts may be eliminated by leveraging LLMs with the "Let's think step by step" prompt to generate reasoning chains for demonstrations one by one, i.e., let's think not just step by step, but also one by one. However, these generated chains often come with mistakes. To mitigate the effect of such mistakes, we find that diversity matters for automatically constructing demonstrations. We propose an automatic CoT prompting method: Auto-CoT. It samples questions with diversity and generates reasoning chains to construct demonstrations. On ten public benchmark reasoning tasks with GPT-3, Auto-CoT consistently matches or exceeds the performance of the CoT paradigm that requires manual designs of demonstrations. Code is available at https://github.com/amazon-research/auto-cot

CoT-Valve: Length-Compressible Chain-of-Thought Tuning

Chain-of-Thought significantly enhances a model's reasoning capability, but it also comes with a considerable increase in inference costs due to long chains. With the observation that the reasoning path can be easily compressed under easy tasks but struggle on hard tasks, we explore the feasibility of elastically controlling the length of reasoning paths with only one model, thereby reducing the inference overhead of reasoning models dynamically based on task difficulty. We introduce a new tuning and inference strategy named CoT-Valve, designed to allow models to generate reasoning chains of varying lengths. To achieve this, we propose to identify a direction in the parameter space that, when manipulated, can effectively control the length of generated CoT. Moreover, we show that this property is valuable for compressing the reasoning chain. We construct datasets with chains from long to short for the same questions and explore two enhanced strategies for CoT-Valve: (1) a precise length-compressible CoT tuning method, and (2) a progressive chain length compression approach. Our experiments show that CoT-Valve successfully enables controllability and compressibility of the chain and shows better performance than the prompt-based control. We applied this method to QwQ-32B-Preview, reducing reasoning chains on GSM8K from 741 to 225 tokens with a minor performance drop (95.07% to 94.92%) and on AIME from 6827 to 4629 tokens, with only one additional incorrect answer.

SafeChain: Safety of Language Models with Long Chain-of-Thought Reasoning Capabilities

Emerging large reasoning models (LRMs), such as DeepSeek-R1 models, leverage long chain-of-thought (CoT) reasoning to generate structured intermediate steps, enhancing their reasoning capabilities. However, long CoT does not inherently guarantee safe outputs, potentially leading to harmful consequences such as the introduction of security vulnerabilities in code or the spread of misinformation. Current research on large language model (LLM) safety usually focuses on short-answer responses, overlooking the long CoT style outputs of LRMs. To bridge this gap, we conduct a systematic study of LRM safety. First, we investigate safety evaluators calibrated against human annotations. Using our newly developed metrics, we thoroughly assess the safety of 12 state-of-the-art LRMs on StrongReject and WildJailbreak datasets. Our results show that LRMs are not safe compared to their reasoning advance. Further, we perform a fine-grained analysis of the reasoning trace and final answer. We find that three decoding strategies-ZeroThink, LessThink, and MoreThink-can improve model safety without additional training. However, these strategies either use constrained reasoning traces or incur high inference costs. To better strengthen LRM safety, we introduce SafeChain, the first-of-its-kind safety training dataset in CoT style. We fine-tune two LRMs with SafeChain, showing that it not only enhances model safety but also preserves performance across 6 reasoning benchmarks.

Mitigating Deceptive Alignment via Self-Monitoring

Modern large language models rely on chain-of-thought (CoT) reasoning to achieve impressive performance, yet the same mechanism can amplify deceptive alignment, situations in which a model appears aligned while covertly pursuing misaligned goals. Existing safety pipelines treat deception as a black-box output to be filtered post-hoc, leaving the model free to scheme during its internal reasoning. We ask: Can deception be intercepted while the model is thinking? We answer this question, the first framework that embeds a Self-Monitor inside the CoT process itself, named CoT Monitor+. During generation, the model produces (i) ordinary reasoning steps and (ii) an internal self-evaluation signal trained to flag and suppress misaligned strategies. The signal is used as an auxiliary reward in reinforcement learning, creating a feedback loop that rewards honest reasoning and discourages hidden goals. To study deceptive alignment systematically, we introduce DeceptionBench, a five-category benchmark that probes covert alignment-faking, sycophancy, etc. We evaluate various LLMs and show that unrestricted CoT roughly aggravates the deceptive tendency. In contrast, CoT Monitor+ cuts deceptive behaviors by 43.8% on average while preserving task accuracy. Further, when the self-monitor signal replaces an external weak judge in RL fine-tuning, models exhibit substantially fewer obfuscated thoughts and retain transparency. Our project website can be found at cot-monitor-plus.github.io

Structured Chain-of-Thought Prompting for Code Generation

Large Language Models (LLMs) (e.g., ChatGPT) have shown impressive performance in code generation. LLMs take prompts as inputs, and Chain-of-Thought (CoT) prompting is the state-of-the-art prompting technique. CoT prompting asks LLMs first to generate CoTs (i.e., intermediate natural language reasoning steps) and then output the code. However, CoT prompting is designed for natural language generation and has low accuracy in code generation. In this paper, we propose Structured CoTs (SCoTs) and present a novel prompting technique for code generation, named SCoT prompting. Our motivation is source code contains rich structural information and any code can be composed of three program structures (i.e., sequence, branch, and loop structures). Intuitively, structured intermediate reasoning steps make for structured source code. Thus, we ask LLMs to use program structures to build CoTs, obtaining SCoTs. Then, LLMs generate the final code based on SCoTs. Compared to CoT prompting, SCoT prompting explicitly constrains LLMs to think about how to solve requirements from the view of source code and further the performance of LLMs in code generation. We apply SCoT prompting to two LLMs (i.e., ChatGPT and Codex) and evaluate it on three benchmarks (i.e., HumanEval, MBPP, and MBCPP). (1) SCoT prompting outperforms the state-of-the-art baseline - CoT prompting by up to 13.79% in Pass@1. (2) Human evaluation shows human developers prefer programs from SCoT prompting. (3) SCoT prompting is robust to examples and achieves substantial improvements.

Is Human-Written Data Enough? The Challenge of Teaching Reasoning to LLMs Without RL or Distillation

Reasoning-capable language models achieve state-of-the-art performance in diverse complex tasks by generating long, explicit Chain-of-Thought (CoT) traces. While recent works show that base models can acquire such reasoning traces via reinforcement learning or distillation from stronger models like DeepSeek-R1, previous works demonstrate that even short CoT prompting without fine-tuning is able to improve reasoning. We ask whether long CoT can be induced in a base model using only prompting or minimal tuning. Using just 20 long CoT examples from the reasoning model QwQ-32B-Preview, we lightly fine-tune the base model Qwen2.5-32B. The resulting model outperforms the much larger Qwen2.5-Math-72B-Instruct, showing that a handful of high-quality examples can unlock strong reasoning capabilities. We further explore using CoT data from non-reasoning models and human annotators, enhanced with prompt engineering, multi-pass editing, and structural guidance. However, neither matches the performance of reasoning model traces, suggesting that certain latent qualities of expert CoT are difficult to replicate. We analyze key properties of reasoning data, such as problem difficulty, diversity, and answer length, that influence reasoning distillation. While challenges remain, we are optimistic that carefully curated human-written CoT, even in small quantities, can activate reasoning behaviors in base models. We release our human-authored dataset across refinement stages and invite further investigation into what makes small-scale reasoning supervision so effective.

Deductive Verification of Chain-of-Thought Reasoning

Large Language Models (LLMs) significantly benefit from Chain-of-Thought (CoT) prompting in performing various reasoning tasks. While CoT allows models to produce more comprehensive reasoning processes, its emphasis on intermediate reasoning steps can inadvertently introduce hallucinations and accumulated errors, thereby limiting models' ability to solve complex reasoning tasks. Inspired by how humans engage in careful and meticulous deductive logical reasoning processes to solve tasks, we seek to enable language models to perform explicit and rigorous deductive reasoning, and also ensure the trustworthiness of their reasoning process through self-verification. However, directly verifying the validity of an entire deductive reasoning process is challenging, even with advanced models like ChatGPT. In light of this, we propose to decompose a reasoning verification process into a series of step-by-step subprocesses, each only receiving their necessary context and premises. To facilitate this procedure, we propose Natural Program, a natural language-based deductive reasoning format. Our approach enables models to generate precise reasoning steps where subsequent steps are more rigorously grounded on prior steps. It also empowers language models to carry out reasoning self-verification in a step-by-step manner. By integrating this verification process into each deductive reasoning stage, we significantly enhance the rigor and trustfulness of generated reasoning steps. Along this process, we also improve the answer correctness on complex reasoning tasks. Code will be released at https://github.com/lz1oceani/verify_cot.

Igniting Language Intelligence: The Hitchhiker's Guide From Chain-of-Thought Reasoning to Language Agents

Large language models (LLMs) have dramatically enhanced the field of language intelligence, as demonstrably evidenced by their formidable empirical performance across a spectrum of complex reasoning tasks. Additionally, theoretical proofs have illuminated their emergent reasoning capabilities, providing a compelling showcase of their advanced cognitive abilities in linguistic contexts. Critical to their remarkable efficacy in handling complex reasoning tasks, LLMs leverage the intriguing chain-of-thought (CoT) reasoning techniques, obliging them to formulate intermediate steps en route to deriving an answer. The CoT reasoning approach has not only exhibited proficiency in amplifying reasoning performance but also in enhancing interpretability, controllability, and flexibility. In light of these merits, recent research endeavors have extended CoT reasoning methodologies to nurture the development of autonomous language agents, which adeptly adhere to language instructions and execute actions within varied environments. This survey paper orchestrates a thorough discourse, penetrating vital research dimensions, encompassing: (i) the foundational mechanics of CoT techniques, with a focus on elucidating the circumstances and justification behind its efficacy; (ii) the paradigm shift in CoT; and (iii) the burgeoning of language agents fortified by CoT approaches. Prospective research avenues envelop explorations into generalization, efficiency, customization, scaling, and safety. This paper caters to a wide audience, including beginners seeking comprehensive knowledge of CoT reasoning and language agents, as well as experienced researchers interested in foundational mechanics and engaging in cutting-edge discussions on these topics. A repository for the related papers is available at https://github.com/Zoeyyao27/CoT-Igniting-Agent.

LLMs Can Easily Learn to Reason from Demonstrations Structure, not content, is what matters!

Large reasoning models (LRMs) tackle complex reasoning problems by following long chain-of-thoughts (Long CoT) that incorporate reflection, backtracking, and self-validation. However, the training techniques and data requirements to elicit Long CoT remain poorly understood. In this work, we find that a Large Language model (LLM) can effectively learn Long CoT reasoning through data-efficient supervised fine-tuning (SFT) and parameter-efficient low-rank adaptation (LoRA). With just 17k long CoT training samples, the Qwen2.5-32B-Instruct model achieves significant improvements on a wide range of math and coding benchmarks, including 56.7% (+40.0%) on AIME 2024 and 57.0% (+8.1%) on LiveCodeBench, competitive to the proprietary o1-preview model's score of 44.6% and 59.1%. More importantly, we find that the structure of Long CoT is critical to the learning process, whereas the content of individual reasoning steps has minimal impact. Perturbations affecting content, such as training on incorrect samples or removing reasoning keywords, have little impact on performance. In contrast, structural modifications that disrupt logical consistency in the Long CoT, such as shuffling or deleting reasoning steps, significantly degrade accuracy. For example, a model trained on Long CoT samples with incorrect answers still achieves only 3.2% lower accuracy compared to training with fully correct samples. These insights deepen our understanding of how to elicit reasoning capabilities in LLMs and highlight key considerations for efficiently training the next generation of reasoning models. This is the academic paper of our previous released Sky-T1-32B-Preview model. Codes are available at https://github.com/NovaSky-AI/SkyThought.

Automatic Prompt Augmentation and Selection with Chain-of-Thought from Labeled Data

Chain-of-thought prompting (CoT) advances the reasoning abilities of large language models (LLMs) and achieves superior performance in arithmetic, commonsense, and symbolic reasoning tasks. However, most CoT studies rely on carefully designed human-annotated rational chains to prompt the language model, which poses challenges for real-world applications where labeled training data is available without human-annotated rational chains. This creates barriers to applications of CoT prompting to these general tasks. This paper proposes a new strategy, Automate-CoT (Automatic Prompt Augmentation and Selection with Chain-of-Thought), that can bypass human engineering of CoTs by automatically augmenting rational chains from a small labeled dataset, and then pruning low-quality chains to construct a candidate pool of machine-generated rationale chains based on the labels. Finally, it selects the optimal combination of several rationale chains from the pool for CoT prompting by employing a variance-reduced policy gradient strategy to estimate the significance of each example in a black-box language model. Automate-CoT enables a quick adaptation of the CoT technique to different tasks. Experimental results demonstrate the effectiveness of our method, where state-of-the-art results are achieved on arithmetic reasoning (+2.7\%), commonsense reasoning (+3.4\%), symbolic reasoning (+3.2\%), and non-reasoning tasks (+2.5\%). Our code will be available at https://github.com/shizhediao/automate-cot.

Hawkeye:Efficient Reasoning with Model Collaboration

Chain-of-Thought (CoT) reasoning has demonstrated remarkable effectiveness in enhancing the reasoning abilities of large language models (LLMs). However, its efficiency remains a challenge due to the generation of excessive intermediate reasoning tokens, which introduce semantic redundancy and overly detailed reasoning steps. Moreover, computational expense and latency are significant concerns, as the cost scales with the number of output tokens, including those intermediate steps. In this work, we observe that most CoT tokens are unnecessary, and retaining only a small portion of them is sufficient for producing high-quality responses. Inspired by this, we propose HAWKEYE, a novel post-training and inference framework where a large model produces concise CoT instructions to guide a smaller model in response generation. HAWKEYE quantifies redundancy in CoT reasoning and distills high-density information via reinforcement learning. By leveraging these concise CoTs, HAWKEYE is able to expand responses while reducing token usage and computational cost significantly. Our evaluation shows that HAWKEYE can achieve comparable response quality using only 35% of the full CoTs, while improving clarity, coherence, and conciseness by approximately 10%. Furthermore, HAWKEYE can accelerate end-to-end reasoning by up to 3.4x on complex math tasks while reducing inference cost by up to 60%. HAWKEYE will be open-sourced and the models will be available soon.

Unlocking the Capabilities of Thought: A Reasoning Boundary Framework to Quantify and Optimize Chain-of-Thought

Chain-of-Thought (CoT) reasoning has emerged as a promising approach for enhancing the performance of large language models (LLMs) on complex reasoning tasks. Recently, a series of studies attempt to explain the mechanisms underlying CoT, aiming to deepen the understanding of its efficacy. Nevertheless, the existing research faces two major challenges: (1) a lack of quantitative metrics to assess CoT capabilities and (2) a dearth of guidance on optimizing CoT performance. Motivated by this, in this work, we introduce a novel reasoning boundary framework (RBF) to address these challenges. To solve the lack of quantification, we first define a reasoning boundary (RB) to quantify the upper-bound of CoT and establish a combination law for RB, enabling a practical quantitative approach applicable to various real-world CoT tasks. To address the lack of optimization, we propose three categories of RBs. We further optimize these categories with combination laws focused on RB promotion and reasoning path optimization for CoT improvement. Through extensive experiments on 27 models and 5 tasks, the study validates the existence and rationality of the proposed framework. Furthermore, it explains the effectiveness of 10 CoT strategies and guides optimization from two perspectives. We hope this work can provide a comprehensive understanding of the boundaries and optimization strategies for reasoning in LLMs. Our code and data are available at https://github.com/LightChen233/reasoning-boundary.

Concise Reasoning, Big Gains: Pruning Long Reasoning Trace with Difficulty-Aware Prompting

Existing chain-of-thought (CoT) distillation methods can effectively transfer reasoning abilities to base models but suffer from two major limitations: excessive verbosity of reasoning traces and inadequate adaptability to problem difficulty. Long reasoning traces significantly increase inference costs, and uniform-length solutions prevent base models from learning adaptive reasoning strategies. To address these issues, we propose a difficulty-aware prompting (DAP) method to dynamically shorten reasoning traces without performance loss. In our approach, a large teacher model first judges each problem's difficulty and then rewrites its reasoning traces to an appropriate shorter length, yielding concise yet complete reasoning traces. Leveraging the DAP pipeline, we curate a distilled dataset called LiteCoT consisting of 100K concise reasoning examples, with solutions averaging only 720 tokens (an order of magnitude shorter than typical CoTs). Using LiteCoT, we distilled a new family of reasoning models called Liter (1.5B, 7B, and 32B) based on the Qwen2.5 architecture. Experiments show that a student model fine-tuned on just 100K of these difficulty-pruned CoT samples outperforms a model distilled on 800K original Long CoT samples, while significantly reducing training and inference costs. Our method also generalizes well: across 11 diverse benchmarks, the shorter difficulty-aware CoTs achieve equal or better accuracy than Long chains, using far fewer tokens. For example, on the challenging AIME24 exam, our approach reaches 74.2% Pass@1 using only about 5K inference tokens, surpassing other methods that consume many more tokens. Our code and data are available at https://github.com/Evanwu1125/LiteCoT.