Xiang Guan, Roger D. Newman-Norlund, Yong Yang +8cs.LG cs.CL
Mechanistic interpretability of large language models lacks spatially resolved, falsifiable tools for testing whether internal components are specialized for distinct cognitive operations. We adapt subtraction analysis, the standard framework of human neuroimaging, from biological brains to perturbed transformers, and apply the same logic to both substrates in parallel. Building on the Brain-LLM Unified Model (BLUM), which showed that layer-perturbed LLaVA-1.6-Vicuna-13B error profiles match the lesion patterns of aphasic patients, we develop PRISM (Perturbation-based Regional Interpretability through Subtraction Mapping). PRISM maps the seven clinical Philadelphia Naming Test categories, subtracts error classes pairwise, and treats each perturbation seed as a subject in a group analysis with threshold-free cluster enhancement along the layer axis. We run a structurally matched analysis on 213 chronic post-stroke aphasia patients using correlation-difference lesion-symptom mapping, and replicate both sides on held-out splits. The designs match in subject dimension (seeds, patients), spatial dimension (layers, atlas-parcellated cortex) and thresholding, but the contrast operator differs: a within-subject error-proportion difference for the LLM, a between-subject correlation difference for the cortex. Both substrates recover a robust phonemic-favoring dissociation, a deep layer cluster and a frontal-perisylvian cortical cluster, both replicating; the semantic-favoring direction is a consistently signed but non-significant trend on both. PRISM thus gives a falsifiable, spatially resolved test of functional-specialization claims in transformer language models. A confirmatory ROI-level intervention (PRISM Stage 3) licensing the strongest causal-mechanism claim is left to subsequent work.
Large Language Models (LLMs) have recently shown promise in molecular discovery, yet a gap remains between their probabilistic nature over discrete sequential tokens and the rigid topological constraints of chemical space. This raises the question of whether molecular LLMs can generalize beyond the local neighborhoods induced by their sequence-based representations. To systematically investigate this question, we introduce a Molecular Perturbation framework that generates syntax-valid structural variants of training molecules under controlled Graph Edit Distance (GED) to probe the manifold regularity of molecular LLMs. Our analysis shows that even a single edit can cause substantial performance drops on common molecular tasks, revealing a narrow local trust region and fragile sensitivity to structural changes. Since similar molecules tend to exhibit similar properties, In-Context Tuning (ICT), which anchors predictions on structurally similar molecules, offers a natural way to mitigate such fragility. Our experiments also examine whether ICT confers robustness under controlled structural perturbations, and the results suggest that it can partially expand the local trust region and offer a promising direction for stabilizing molecular LLMs against structural variation.
The considerable layer-wise redundancy in large language models (LLMs) has established non-uniform sparsity allocation across layers as the standard pruning approach for efficient compression. Existing layer-wise allocation methods that estimate allocation strategy from local signals such as activation outliers or weight spectra mainly derive from local layer importance, whereas the final post-pruning performance is also influenced by the network's subsequent compensatory capacity. In this paper, we directly characterize this property through controlled perturbation experiments. We make the following empirical findings. First, layers exhibit highly heterogeneous responses to pruning-scale perturbations. In most cases, early layers amplify perturbations, while middle and late layers actively absorb them, with relative L2 drift decreasing monotonically across depth and direction realigning toward the unperturbed hidden-state trajectory. Second, absorption is a large-perturbation phenomenon. Under small perturbations the network exhibits amplification across all layers, and the transition to absorption occurs smoothly as perturbation magnitude grows to pruning scale. This enriches the linearized accumulation theory underlying related works. Building on these findings, we define an absorption coefficient per layer and propose absorption-aware correction, an orthogonal augmentation that improves OWL and AlphaPruning by reducing perplexity by 7.13% and boosting zero-shot accuracy by 1.02% across multiple model families at 70% sparsity.
Recursive language-model loops often settle into recognizable attractor-like patterns. The practical question is how much injected text is needed to move a settled loop somewhere else, and whether that move lasts. We study this in 30-step recursive loops by separating the model from the context-update rule: append, replace, and dialog updates expose different histories to the same generator. The main result is that persistent redirection in append-mode recursive loops is memory-policy-conditioned. Under a 12,000-character tail clip, destination-coherent persistence plateaus near 16 percent and retained source-basin escape near 36 percent at dose 400; neither crosses 50 percent. Under a full-history protocol, retained source-basin escape crosses 50 percent near 400 tokens and saturates at 75-80 percent by 1,500 tokens, while destination-coherent persistence first reaches 0.50 near 1,500 tokens with a Wilson 95 percent CI of [0.41, 0.61]. For raw switching, adversarial continuations yield an ED50 near 40 tokens, with paired-control floors near 35 percent and net switching never reaching +50 percentage points within 5-400 tokens. Replace-mode raw switching is near-saturated but largely reflects state-reset overwrite: insert-mode probes drop it to 12-32 percent. A homogeneous-perturbation control reproduced the high-dose non-monotonic dip in destination-coherent persistence, refuting perturbation heterogeneity as the cause; the dip appears structural, with mechanism unresolved. We report 37 experiments on gpt-4o-mini with within-vendor replication on gpt-4.1-nano. Recursive-loop evaluations should distinguish transient movement from durable escape, subtract stochastic floors, and treat context-update rules as first-class safety-relevant design choices.
Zhuoling Li, Ha Linh Hong Tran Nguyen, Valeria Bladinieres +1cs.AI cs.IR cs.LG
Graph-based Retrieval-Augmented Generation (GraphRAG) extends traditional RAG by using knowledge graphs (KGs) to give large language models (LLMs) a structured, semantically coherent context, yielding more grounded answers. However, GraphRAG reasoning process remains a black-box, limiting our ability to understand how specific pieces of structured knowledge influence the final output. Existing explainability (XAI) methods for RAG systems, designed for text-based retrieval, are limited to interpreting an LLM response through the relational structures among knowledge components, creating a critical gap in transparency and trustworthiness. To address this, we introduce XGRAG, a novel framework that generates causally grounded explanations for GraphRAG systems by employing graph-based perturbation strategies, to quantify the contribution of individual graph components on the model answer. We conduct extensive experiments comparing XGRAG against RAG-Ex, an XAI baseline for standard RAG, and evaluate its robustness across various question types, narrative structures and LLMs. Our results demonstrate a 14.81% improvement in explanation quality over the baseline RAG-Ex across NarrativeQA, FairyTaleQA, and TriviaQA, evaluated by F1-score measuring alignment between generated explanations and original answers. Furthermore, XGRAG explanations exhibit a strong correlation with graph centrality measures, validating its ability to capture graph structure. XGRAG provides a scalable and generalizable approach towards trustworthy AI through transparent, graph-based explanations that enhance the interpretability of RAG systems.