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Demystifying Reasoning Dynamics with Mutual Information: Thinking Tokens are Information Peaks in LLM Reasoning

NeurIPS 2025 · Large language models › Reasoning and chain of thought · approach: Efficient and adaptive thinking · 0 citations (OpenAlex)

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Shows that mutual-information (HSIC) peaks along LRM reasoning trajectories coincide with thinking tokens ("Wait", "Hmm", "So") that are critical to reasoning, and proposes training-free Representation Recycling and thinking-token test-time scaling to improve math reasoning.

Problem

Reasoning mechanisms of large reasoning models remain a black box; it is unclear which intermediate steps most affect final correctness.

Approach

Track HSIC-estimated mutual information between each generated token's hidden representation and the golden answer's representation; identify sudden MI peaks (IQR outliers), decode them to tokens ("thinking tokens"), and exploit them by recycling their layer representations or appending them to continue reasoning at test time.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Reasoning-intensive training (distillation into LRM) vs base modelLlama-3.1-8B / DeepSeek-R1-Distill-Llama-8B · MI trajectories on MATH trainMean MI: 0.0863 -> 0.1279Helped
Reasoning-intensive training vs base modelQwen2.5-14B pair · MI trajectories on MATH trainMean MI: 1.3128 -> 3.3508Helped
Reasoning-intensive training vs base modelQwen2.5-32B pair · MI trajectories on MATH trainMean MI: 1.7669 -> 4.0352Helped
Reasoning-intensive training vs base modelLlama-3.3-70B pair · MI trajectories on MATH trainMean MI: 0.0400 -> 0.0599Helped
Reasoning-intensive training vs base model (Std and AOM also higher for LRMs)Llama-3.1-8B pair · MI trajectories on MATH trainAOM: 3.3573 -> 4.5176Helped
Suppressing thinking tokens (set generation prob to zero) vs randomly suppressing same number of other tokens (ablation)LRMs on math benchmarks · math reasoning benchmarksreasoning accuracyHurt
Representation Recycling (re-run MI-peak representation through same layer once more)DeepSeek-R1-Distill-Llama-8B and DeepSeek-R1-Distill-Qwen-7B · GSM8K, MATH500, AIME24reasoning accuracyHelped
Thinking Token based Test-time Scaling (append thinking token and continue reasoning)DeepSeek-R1-Distill-Llama-8B · GSM8K, MATH500 under token budgetsreasoning accuracyHelped
Thinking Token based Test-time ScalingDeepSeek-R1-Distill-Llama-8B · AIME24 under token budgetsreasoning accuracyMixed

Surprising findings

Limitations

Experimental setup

Datasets: MATH training set (12k problems, 100 sampled for MI trajectories)

Benchmarks: GSM8K MATH500 AIME24

Metrics: accuracy mutual information peak statistics (ratio, interval) Mean/Std/AOM of MI sequences

Baselines: original LRM (DeepSeek-R1-Distill-Llama-8B) DeepSeek-R1-Distill-Qwen-7B original budget-matched original LRM decoding

Builds on: chain-of-thought HSIC critical tokens

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