Quantifying Logical Consistency in Transformers via Query-Key Alignment

Large Language Models (LLMs) achieve strong performance on logical reasoning benchmarks, yet their reliability remains uncertain. Existing evaluations rely on static benchmarks, which fail to assess robustness under logically equivalent transformations and often overestimate reasoning capability. We propose LGMT (Logic-Grounded Metamorphic Testing), an oracle-free framework that leverages first-order logic (FOL) to evaluate LLM reasoning. By deriving metamorphic relations from formal logical equivalences, LGMT constructs semantically invariant test cases and detects reasoning defects through cross-case consistency checking. Experiments on six state-of-the-art LLMs show that LGMT exposes substantial hidden defects missed by traditional reference-based evaluations. We further find that models are particularly sensitive to symbol-level and conclusion-level variations, and that advanced prompting such as Few-shot CoT only partially mitigates these issues. These results suggest that LLM evaluation should move beyond isolated correctness toward robustness under logical invariance. LGMT provides a principled and scalable approach for diagnosing reasoning failures.

While LLMs demonstrate impressive reasoning capabilities, they remain fragile in multi-step logical deduction, where a single transition error can propagate through the entire reasoning chain, leading to unstable performance. In this work, we identify logical connectives as primary points of this structural fragility. Through empirical analysis, we show that connective tokens function as high entropy forking points, at which models frequently struggle to determine the correct logical direction. Motivated by this observation, we hypothesize that intervening in logical connective selection can guide LLMs toward more correct logical direction, thereby improving the overall reasoning chain. To validate this hypothesis, we propose a multi-layered framework that intervenes specifically at these logic-critical junctions in the reasoning process. Our framework includes (1) Gradient-based Logical Steering to guide LLMs internal representations towards valid reasoning subspaces, (2) Localized Branching to resolve ambiguity via targeted look-ahead search, and (3) Targeted Transition Preference Optimization, a surgical reinforcement learning objective that selectively optimizes single-token preferences at logical pivots. Crucially, by concentrating intervention solely on logic-critical transitions, our framework achieves a favorable accuracy--efficiency trade-off compared to global inference time scaling methods like beam search and self-consistency.

Autoregressive chain-of-thought (CoT) reasoning in large language models (LLMs) is fundamentally forward-directed: each step conditions only on prior tokens. This unidirectional inductive bias renders even capable models susceptible to error snowballing, wherein a single logical or arithmetic mistake in an early step irreversibly corrupts the entire reasoning chain. We introduce Teleological Reasoning Infilling (\TRI{}), a training framework that endows decoder-only transformers with a native \emph{goal-conditioned bridging} capability. The key insight is to reframe erroneous reasoning segments as fill-in-the-middle (FIM) tasks: given a verified prefix premise $P$, a verified downstream milestone $S$, and the original query $Q$, the model must synthesise the logical bridge $M$ that connects $P$ to $S$ rigorously and completely. To achieve this with standard causal architectures, we introduce a Prefix-Suffix-Middle (PSM) sequence rearrangement with three non-overlapping sentinel tokens, enabling $M$ to attend to both $P$ and $S$ without any structural modification to the self-attention mechanism. Training proceeds in two stages: (i) Supervised Fine-Tuning (SFT) on symbolically verified $(P, S, M)$ triples extracted from formal mathematics corpora, and (ii) Direct Preference Optimisation (DPO) with a deterministic symbolic verifier (Lean 4 / Python) as the sole reward oracle, eliminating LLM-judge sycophancy. At inference, TRI operates as a surgical repair module within a dual-system loop: a causal draft model generates an initial trace, the verifier pinpoints failures, and TRI infills only the damaged segment, leaving verified sections intact. Comprehensive experiments on three benchmarks demonstrate that TRI achieves state-of-the-art performance across all tasks, while reducing per-problem token expenditure by 31.2%.