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.

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.

Chain-of-Thought (CoT) reasoning has proven effective in enhancing large language models (LLMs) on complex tasks, spurring research into its underlying mechanisms. However, two primary challenges remain for real-world applications: (1) the lack of quantitative metrics and actionable guidelines for evaluating and optimizing measurable boundaries of CoT capability, and (2) the absence of methods to assess boundaries of unmeasurable CoT capability, such as multimodal perception. To address these gaps, we introduce the Reasoning Boundary Framework++ (RBF++). To tackle the first challenge, we define the reasoning boundary (RB) as the maximum limit of CoT performance. We also propose a combination law for RBs, enabling quantitative analysis and offering actionable guidance across various CoT tasks. For the second challenge, particularly in multimodal scenarios, we introduce a constant assumption, which replaces unmeasurable RBs with scenario-specific constants. Additionally, we propose the reasoning boundary division mechanism, which divides unmeasurable RBs into two sub-boundaries, facilitating the quantification and optimization of both unmeasurable domain knowledge and multimodal perception capabilities. Extensive experiments involving 38 models across 13 tasks validate the feasibility of our framework in cross-modal settings. Additionally, we evaluate 10 CoT strategies, offer insights into optimization and decay from two complementary perspectives, and expand evaluation benchmarks for measuring RBs in LLM reasoning. We hope this work advances the understanding of RBs and optimization strategies in LLMs. Code and data are available at https://github.com/LightChen233/reasoning-boundary.

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.