On the Uncertainty Quantification Ability of Tabular Foundation Models
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Abstract (arXiv)
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.
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References · 9
- 2015Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learningcited by 4,416
- 2015Deep Kernel Learningcited by 440
- 2021A Survey of Transformerscited by 399
- 2013Gaussian Processes for Big Datacited by 377
- 2014Scalable Variational Gaussian Process Classificationcited by 226
- 2015Distributed Gaussian Processescited by 84
- 2021A survey on high-dimensional Gaussian process modeling with application to Bayesian optimizationcited by 76
- 2021Latent Map Gaussian Processes for Mixed Variable Metamodelingcited by 23
- 2023GP+: A Python Library for Kernel-based learning via Gaussian Processescited by 17
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