DMDIntel: Interpreting Large Language Models via Dynamic Mode Decomposition

The generative nature of Large Language Models (LLMs) is reflected in the conditional probabilities they compute to sample each response token given the previous tokens. These probabilities encode the distributional structure that the model learns in training and exploits in inference. In this work, we use these probabilities to situate LLMs within the mathematical theory of stochastic processes. We use this framework to design a model-agnostic probabilistic token attribution measure, using Bayes rule to invert the next-token log-probabilities so as to capture the models internal representation of the distribution over token sequences. The representation is independent of the models computational structure. This representation yields the conditional probability of the response given the prompt, and of the response given the prompt with a token marginalized away. Our attribution score is the log of the ratio of these probabilities. We further compute the entropies of a single prompts token distributions, conditioned on the remaining context. The interplay between entropy and attribution score sheds light on LLM behavior. We evaluate 8 models across 7 prompts and investigate anomalies, token sensitivity, response stability, model stability, and training convergence, thereby improving interpretability and guiding users to focus on uncertain or unstable parts of the generation.

A critical step for reliable large language models (LLMs) use in healthcare is to attribute predictions to their training data, akin to a medical case study. This requires token-level precision: pinpointing not just which training examples influence a decision, but which tokens within them are responsible. While influence functions offer a principled framework for this, prior work is restricted to autoregressive settings and relies on an implicit assumption of token independence, rendering their identified influences unreliable. We introduce a flexible framework that infers token-level influence through a latent mediation approach for general prediction tasks. Our method attaches sparse autoencoders to any layer of a pretrained LLM to learn a basis of approximately independent latent features. Unlike prior methods where influence decomposes additively across tokens, influence computed over latent features is inherently non-decomposable. To address this, we introduce a novel method using Jacobian-vector products. Token-level influence is obtained by propagating latent attributions back to the input space via token activation patterns. We scale our approach using efficient inverse-Hessian approximations. Experiments on medical benchmarks show our approach identifies sparse, interpretable sets of tokens that jointly influence predictions. Our framework enhances trust and enables model auditing, generalizing to high-stakes domain requiring transparent and accountable decisions.

Interpretability tools are increasingly used to analyze failures of Large Language Models (LLMs), yet prior work largely focuses on short prompts or toy settings, leaving their behavior on commonly used benchmarks underexplored. To address this gap, we study contrastive, LRP-based attribution as a practical tool for analyzing LLM failures in realistic settings. We formulate failure analysis as \textit{contrastive attribution}, attributing the logit difference between an incorrect output token and a correct alternative to input tokens and internal model states, and introduce an efficient extension that enables construction of cross-layer attribution graphs for long-context inputs. Using this framework, we conduct a systematic empirical study across benchmarks, comparing attribution patterns across datasets, model sizes, and training checkpoints. Our results show that this token-level contrastive attribution can yield informative signals in some failure cases, but is not universally applicable, highlighting both its utility and its limitations for realistic LLM failure analysis. Our code is available at: https://aka.ms/Debug-XAI.