Transformers Simulate MLE for Sequence Generation in Bayesian Networks

Fuente: arXiv
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Auteurs principaux: Cao, Yuan, He, Yihan, Wu, Dennis, Chen, Hong-Yu, Fan, Jianqing, Liu, Han
Format: Preprint
Publié: 2025
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author Cao, Yuan
He, Yihan
Wu, Dennis
Chen, Hong-Yu
Fan, Jianqing
Liu, Han
author_facet Cao, Yuan
He, Yihan
Wu, Dennis
Chen, Hong-Yu
Fan, Jianqing
Liu, Han
contents Transformers have achieved significant success in various fields, notably excelling in tasks involving sequential data like natural language processing. Despite these achievements, the theoretical understanding of transformers' capabilities remains limited. In this paper, we investigate the theoretical capabilities of transformers to autoregressively generate sequences in Bayesian networks based on in-context maximum likelihood estimation (MLE). Specifically, we consider a setting where a context is formed by a set of independent sequences generated according to a Bayesian network. We demonstrate that there exists a simple transformer model that can (i) estimate the conditional probabilities of the Bayesian network according to the context, and (ii) autoregressively generate a new sample according to the Bayesian network with estimated conditional probabilities. We further demonstrate in extensive experiments that such a transformer does not only exist in theory, but can also be effectively obtained through training. Our analysis highlights the potential of transformers to learn complex probabilistic models and contributes to a better understanding of large language models as a powerful class of sequence generators.
format Preprint
id arxiv_https___arxiv_org_abs_2501_02547
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Transformers Simulate MLE for Sequence Generation in Bayesian Networks
Cao, Yuan
He, Yihan
Wu, Dennis
Chen, Hong-Yu
Fan, Jianqing
Liu, Han
Machine Learning
Transformers have achieved significant success in various fields, notably excelling in tasks involving sequential data like natural language processing. Despite these achievements, the theoretical understanding of transformers' capabilities remains limited. In this paper, we investigate the theoretical capabilities of transformers to autoregressively generate sequences in Bayesian networks based on in-context maximum likelihood estimation (MLE). Specifically, we consider a setting where a context is formed by a set of independent sequences generated according to a Bayesian network. We demonstrate that there exists a simple transformer model that can (i) estimate the conditional probabilities of the Bayesian network according to the context, and (ii) autoregressively generate a new sample according to the Bayesian network with estimated conditional probabilities. We further demonstrate in extensive experiments that such a transformer does not only exist in theory, but can also be effectively obtained through training. Our analysis highlights the potential of transformers to learn complex probabilistic models and contributes to a better understanding of large language models as a powerful class of sequence generators.
title Transformers Simulate MLE for Sequence Generation in Bayesian Networks
topic Machine Learning
url https://arxiv.org/abs/2501.02547