The Probabilistic Structure of Large Language Models

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.

The generation of texts using Large Language Models (LLMs) is inherently uncertain, with sources of uncertainty being not only the generation of texts, but also the prompt used and the downstream interpretation. Within this work, we provide a formal framework for the measurement of uncertainty that takes these different aspects into account. Our framework models prompting, generation, and interpretation as interconnected autoregressive processes that can be combined into a single sampling tree. We introduce filters and objective functions to describe how different aspects of uncertainty can be expressed over the sampling tree and demonstrate how to express existing approaches towards uncertainty through these functions. With our framework we show not only how different methods are formally related and can be reduced to a common core, but also point out additional aspects of uncertainty that have not yet been studied.

Large language models increasingly rely on sampling as a driver of their own improvement, making the fidelity of their learned distributions more critical than ever. Yet, not all distributions are equally easy to learn. In this work, we identify a curse of ambiguity: in large language models, and more broadly in all neural networks that produce discrete probability distributions, the more ambiguous a next-token distribution is, the harder it is to learn accurately. Through an extensive theoretical analysis, we trace this curse to architectural and learning roots. More ambiguous distributions require more capacity to be stored, larger embeddings to be represented, more steps to be fitted, and amplify token-sampling noise. We validate these findings on synthetic tasks with controlled ground truth and observe the same signatures in language models trained on real data. Our results provide a new perspective on the statistical capabilities of large language models and a practical framework for when to trust their output distribution.