STEP: Soft Trajectory Estimation of Prediction Correctness via Per-Step Probability Scoring

This work characterizes large language models' chain-of-thought generation as a structured trajectory through representation space. We show that mathematical reasoning traverses functionally ordered, step-specific subspaces that become increasingly separable with layer depth. This structure already exists in base models, while reasoning training primarily accelerates convergence toward termination-related subspaces rather than introducing new representational organization. While early reasoning steps follow similar trajectories, correct and incorrect solutions diverge systematically at late stages. This late-stage divergence enables mid-reasoning prediction of final-answer correctness with ROC-AUC up to 0.87. Furthermore, we introduce trajectory-based steering, an inference-time intervention framework that enables reasoning correction and length control based on derived ideal trajectories. Together, these results establish reasoning trajectories as a geometric lens for interpreting, predicting, and controlling LLM reasoning behavior.

Large Language Models have achieved strong performance on reasoning tasks with objective answers by generating step-by-step solutions, but diagnosing where a multi-step reasoning trace might fail remains difficult. Confidence estimation offers a diagnostic signal, yet existing methods are restricted to final answers or require internal model access. In this paper, we introduce Stepwise Confidence Attribution (SCA), a framework for closed-source LLMs that assigns step-level confidence based only on generated reasoning traces. SCA applies the Information Bottleneck principle: steps aligning with consensus structures across correct solutions receive high confidence, while deviations are flagged as potentially erroneous. We propose two complementary methods: (1) NIBS, a non-parametric IB approach measuring consistency without graph structures, and (2) GIBS, a graph-based IB model that learns subgraphs through a differentiable mask to capture logical variability. Extensive experiments on mathematical reasoning and multi-hop question answering show that SCA reliably identifies low-confidence steps strongly correlated with reasoning errors. Moreover, using step-level confidence to guide self-correction improves the correction success rate by up to 13.5% over answer-level feedback.

Large language models (LLMs) generate not only reasoning text, but also token-level confidence trajectories that record how uncertainty evolves during inference. Whether these trajectories are relevant to reasoning correctness remains unclear. Here we show that confidence trajectories encode a content-agnostic confidence geometry associated with trace-level final-answer correctness. Using only token-level confidence values, without access to the input question, reasoning text, hidden states, or external verifiers, we find that low-dimensional representations of confidence trajectories separate correct from incorrect reasoning traces. Across GSM8K, MATH, and MMLU, this geometric separation is quantitatively linked to downstream predictability: stronger clustering of correct and incorrect traces, measured by the Davies--Bouldin index, consistently corresponds to higher correctness-discrimination AUC. We further show that correctness-related information is enriched in the tail of reasoning, suggesting that late-stage confidence dynamics carry key correctness signals. We propose NeuralConf, a lightweight estimator that learns from confidence trajectories for correctness evaluation. Under a fixed trace budget, NeuralConf-derived scores improve confidence-weighted answer aggregation over majority voting, tail confidence, and other static baselines. These results reveal that LLMs expose trace-intrinsic statistical signals of correctness through their own confidence dynamics, offering a route to improve inference using information already present within generation.