Uncertainty Quantification of Large Language Models using Approximate Bayesian Computation

Fuente: arXiv
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Main Authors: Sharma, Mridul, Patel, Adeetya, Souza, Zaneta D', Rahimi, Samira Abbasgholizadeh, Reddy, Siva, Madathil, Sreenath
Format: Preprint
Published: 2025
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author Sharma, Mridul
Patel, Adeetya
Souza, Zaneta D'
Rahimi, Samira Abbasgholizadeh
Reddy, Siva
Madathil, Sreenath
author_facet Sharma, Mridul
Patel, Adeetya
Souza, Zaneta D'
Rahimi, Samira Abbasgholizadeh
Reddy, Siva
Madathil, Sreenath
contents Despite their widespread applications, Large Language Models (LLMs) often struggle to express uncertainty, posing a challenge for reliable deployment in high stakes and safety critical domains like clinical diagnostics. Existing standard baseline methods such as model logits and elicited probabilities produce overconfident and poorly calibrated estimates. In this work, we propose Approximate Bayesian Computation (ABC), a likelihood-free Bayesian inference, based approach that treats LLMs as a stochastic simulator to infer posterior distributions over predictive probabilities. We evaluate our ABC approach on two clinically relevant benchmarks: a synthetic oral lesion diagnosis dataset and the publicly available GretelAI symptom-to-diagnosis dataset. Compared to standard baselines, our approach improves accuracy by up to 46.9\%, reduces Brier scores by 74.4\%, and enhances calibration as measured by Expected Calibration Error (ECE) and predictive entropy.
format Preprint
id arxiv_https___arxiv_org_abs_2509_19375
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Uncertainty Quantification of Large Language Models using Approximate Bayesian Computation
Sharma, Mridul
Patel, Adeetya
Souza, Zaneta D'
Rahimi, Samira Abbasgholizadeh
Reddy, Siva
Madathil, Sreenath
Machine Learning
Artificial Intelligence
Despite their widespread applications, Large Language Models (LLMs) often struggle to express uncertainty, posing a challenge for reliable deployment in high stakes and safety critical domains like clinical diagnostics. Existing standard baseline methods such as model logits and elicited probabilities produce overconfident and poorly calibrated estimates. In this work, we propose Approximate Bayesian Computation (ABC), a likelihood-free Bayesian inference, based approach that treats LLMs as a stochastic simulator to infer posterior distributions over predictive probabilities. We evaluate our ABC approach on two clinically relevant benchmarks: a synthetic oral lesion diagnosis dataset and the publicly available GretelAI symptom-to-diagnosis dataset. Compared to standard baselines, our approach improves accuracy by up to 46.9\%, reduces Brier scores by 74.4\%, and enhances calibration as measured by Expected Calibration Error (ECE) and predictive entropy.
title Uncertainty Quantification of Large Language Models using Approximate Bayesian Computation
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2509.19375