What Makes Chain-of-Thought Work at Probe Time? Local Co-occurrence Rather Than Global Derivation

Whether intermediate reasoning is computationally useful or merely explanatory depends on whether chain-of-thought (CoT) tokens contain task-relevant information. We present a mechanistic causal analysis of CoT on GSM8K using activation patching: transferring token-level hidden states from a CoT generation to a direct-answer run for the same question, then measuring the effect on final-answer accuracy. Across models, generating after patching yields substantially higher accuracy than both direct-answer prompting and the original CoT trace, revealing that individual CoT tokens can encode sufficient information to recover the correct answer, even when the original trace is incorrect. This task-relevant information is more prevalent in correct than incorrect CoT runs and is unevenly distributed across tokens, concentrating in mid-to-late layers and appearing earlier in the reasoning trace. Moreover, patching language tokens such as verbs and entities carry task-solving information that steers generation toward correct reasoning, whereas mathematical tokens encode answer-proximal content that rarely succeeds. Patched outputs are often shorter and yet exceed the accuracy of a full CoT trace, suggesting complete reasoning chains are not always necessary. Together, these findings demonstrate that CoT encodes recoverable, token-level problem-solving information, offering new insight into how reasoning is represented and where it breaks down.

Chain-of-thought (CoT) reasoning is widely used to improve both the performance and interpretability of large language models (LLMs), yet the generated reasoning may not faithfully support the final answer. We study this problem from a causal perspective, where a faithful CoT process should follow the chain $Z\rightarrow X\rightarrow Y$, with $Z$, $X$, and $Y$ denoting the instruction, reasoning chain, and final answer, respectively. In this process, the instruction should affect the answer only through the reasoning chain. However, conventional autoregressive LLMs condition answer generation on both the instruction and the CoT, which still allows a direct instruction-to-answer shortcut. To address this issue, we propose CASE, a framework that combines training-time causal alignment and inference-time structural enforcement. During training, CASE builds counterfactual-CoT, biased-instruction, and empty-instruction datasets, and applies selective-loss fine-tuning to strengthen CoT-to-answer dependence while suppressing instruction shortcuts. During inference, CASE masks direct attention from instruction tokens to answer tokens, preventing the model from bypassing the generated CoT. We provide an information-theoretic analysis showing how these components promote faithful chains. Experiments on three models and four benchmarks show that CASE achieves a 37% average per-setting relative improvement in overall CoT faithfulness over the strongest baselines, exhibits stronger cross-dataset faithfulness transfer, and maintains competitive average accuracy. Code is available at https://github.com/oddwang/CASE.

Chain-of-thought (CoT) traces are increasingly used both to improve language model capability and to audit model behavior, implicitly assuming that the visible trace remains synchronized with the computation that determines the answer. We test this assumption with a step-level Detect-Classify-Compare framework built around an answer-commitment proxy that is cross-validated with Patchscopes, tuned-lens probes, and causal direction ablation. Across nine models and seven reasoning benchmarks, latent commitment and explicit answer arrival align on only 61.9% of steps on average. The dominant mismatch pattern is confabulated continuation: 58.0% of detected mismatch events occur after the answer-commitment proxy has already stabilized while the trace continues producing deliberative-looking text, and a vacuousness analysis shows that the committed answer does not change during these steps. In architecture-matched Qwen2.5/DeepSeek-R1-Distill comparisons, the reasoning pipeline changes failure composition more than aggregate alignment, most clearly at 32B where confabulated steps decrease as contradictory states increase. Lower step-level alignment is also associated with larger CoT utility, suggesting that the settings that benefit most from CoT are often the least temporally faithful. Paired truncation and a complementary donor-corruption test further indicate that much post-commitment text is not load-bearing for the final answer. These findings suggest that CoT can remain useful while still being an unreliable report of when the answer was formed.