On the Uncertainty Quantification Ability of Tabular Foundation Models
Authors: Tyler R. Johnson, Kian Ben-Jacob, Nima Negarandeh, Oriol Vendrell-Gallart, Ramin Bostanabad
Abstract
Foundation models (FMs) have achieved substantial success in generalizing across tasks without problemspecific training or fine-tuning. However, many critical applications in mechanics and computational science require not only accurate predictions but also reliable uncertainty quantification (UQ). Herein we investigate the UQ capabilities of tabular FMs in regression tasks through a comprehensive empirical study comparing Tabular Prior-Data Fitted Networks (TabPFN) against Gaussian processes (GPs). We systematically evaluate these two methods across a host of regression problems with varying complexity, dataset sizes, and input dimensionalities. We use a default setting to build all the GPs and for a fair comparison against TabPFN v2.5. Our findings highlight an important trade-off between explicit and learned priors: while TabPFN achieves highly competitive performance for complex, high-dimensional problems with sufficient data, GPs often provide superior predictive accuracy and UQ in data-scarce settings. Moreover, when the chosen kernel constitutes a good prior for the underlying function, GP performance can substantially exceed that of TabPFN. Our results can be reproduced from https://github.com/kianswarehouse/GPvsPFN.
Recent Tabular Foundation Models (TFMs) have demonstrated state-of-the-art predictive performance, often surpassing Gradient-Boosted Decision Trees (GBDTs). However, the trustworthiness of these models, particularly their uncertainty quantification, has been largely overlooked. We investigate this gap through an extensive study comparing TFMs, GBDTs, and classical baselines on the 112 datasets of the TALENT benchmark. Our results reveal a performance-uncertainty trade-off: although TFMs achieve the highest predictive performance, measured by AUC, they exhibit lower conditional coverage under conformal prediction, measured by SSCS, compared to GBDTs. Complementary experiments on synthetic datasets further characterize the regimes in which this effect intensifies. We conclude that while TFMs advance predictive frontiers, achieving well-calibrated uncertainty remains a major open challenge for their reliable adoption. Code is available at: https://github.com/jose-melo/high-performance-low-reliability
José Lucas De Melo Costa, Fabrice Popineau, Arpad Rimmel +1
Data-generating priors are a central component of tabular foundation models because they define the task distribution used during pretraining. However, priors are rarely evaluated as independent components, making it difficult to understand how much they affect downstream model behavior. This raises a methodological question: how can priors from different tabular foundation models be compared independently of the architectures and training protocols they were introduced with? To study this question, we implement a unified interface for publicly available priors from recent tabular foundation models and priors constructed from real datasets. We generate training tasks from each prior, train the same model architecture under a fixed training protocol, and evaluate the resulting models on shared downstream classification tasks. We compare priors through both generated-task statistics and downstream predictive performance. Our results show that different priors favor different downstream behaviors, with some achieving stronger absolute performance and others exhibiting more consistent relative rankings across datasets. We further find that data-level similarity only partially explains downstream behavior. Our code is available at https://github.com/automl/TFM-Playground/tree/prior-dev.
Zeynep Türkmen, Kürşat Kaya, Alexander Pfefferle +1
Tabular Foundation Models (TFMs) are currently the best approach to tabular prediction problems. They are constructed as transformers that approximate the Bayesian posterior predictive distribution based on a pre-training prior. These univariate predictors can be converted into multivariate ones autoregressively by sampling one target and adding it to the features. However, the faithfulness of the resulting joint has not been investigated. Furthermore, TFMs cannot be evaluated against the posterior itself, at least not on real-world datasets, because the ground-truth distribution is unknown. We therefore propose asking a different question: could a model's predictions result from any joint distribution? To answer this question, we pose two requirements that any such model must satisfy. The first is marginalization consistency, which demands that marginalized conditionals are equal to directly predicted marginals. The second is factorization consistency, which demands that different factorization orders result in equal joint distributions. Every TFM that we evaluate violates both of these requirements for both classification and regression across all datasets.
Christian Klötergens, Vijaya Krishna Yalavarthi, Lars Schmidt-Thieme +1