Spectral Outliers Reveal Dominant Learned Structure in Transformer Attention

We apply Marchenko-Pastur (MP) random matrix theory to pre-trained attention weights in order to separate each projection matrix into a random-like bulk and a set of spectral outliers. We validate this decomposition causally: zeroing the MP-identified outliers (signal) in Mistral-7B drives HellaSwag, MMLU, and PIQA close to random-chance performance, whereas zeroing a count-matched subset of bulk singular values causes smaller but non-negligible degradation. Across 11 pre-trained transformers we identify five recurring patterns: spectral outliers encode a dominant component of the learned structure; Q projections carry the most outliers; V projections under grouped-query attention lack a clean signal/noise separation; entry-level outliers form structured row-bands in Q and column-bands in O; and specific residual-stream dimensions persist as band outliers across layers in K and O. We close by outlining how these observations could inform parameter-efficient fine-tuning and structured pruning.

Thermodynamic Signatures of Reasoning: Free-Energy and Spectral-Form-Factor Diagnostics for Hallucination Detection in Large Language Models

Hallucination detection in large language models (LLMs) is deployment-critical, and recent work shows that the spectrum of attention-derived graph Laplacians carries strong signal about reasoning quality. Prior spectral diagnostics, however, summarize the Laplacian spectrum by a handful of eigenvalues or hand-picked scalars, leaving most of its structure unused. We propose Free-Energy Signatures (Fes), a spectral descriptor that treats each layer's attention Laplacian as a Hamiltonian and extracts its thermodynamic potentials partition function, free energy, spectral entropy, heat capacity together with the random-matrix-theory (RMT) spectral form factor. We prove three results: (i)~Lipschitz stability of Fes under attention perturbation; (ii)~an expressiveness result showing that Fes enriches finite spectral summaries and approximates moment-derived spectral functionals under explicit regularity and grid-resolution assumptions; and (iii)~a finite-sample PAC bound on the AUROC of a training-free detector built from Fes. Empirically, across six open-weight LLMs and six benchmarks, a lightweight probe on Fes descriptors achieves the strongest aggregate AUROC among attention-spectral baselines, improving over LapEig by $+6.5$ AUROC points and over GoR-4 by $+2.4$ points on average, while requiring no update to the underlying LLM. In the fully unsupervised setting, an RMT-deviation score achieves mean AUROC $0.71$, providing a label-free but weaker detector. A complementary RMT analysis shows that correct generations exhibit more Wigner-Dyson like spectral statistics, whereas hallucinations exhibit more Poisson-like statistics. The anonymized code and config are provided in the supplementary material.