cs.LGJan 29, 2026

Mechanistic Evidence for Spectral Structures in Prior-Data Fitted Networks

Authors: Kaustubh Sharma, Srijan Tiwari, Ojasva Nema, Parikshit Pareek

Organizations: Department of Electrical Engineering, Indian Institute of Technology Roorkee (IIT Roorkee), Uttarakhand, India · Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee (IIT Roorkee), Uttarakhand, India

Abstract

Prior-Data Fitted Networks (PFNs) perform approximate Bayesian inference in a single forward pass, and tabular foundation models (TFMs) built on them are now widely used. To understand what networks infer internally, recent mechanistic studies of TFMs locate where predictions form, but treat these models as tabular predictors rather than as PFNs. It therefore remains unknown whether PFNs represent the spectral content of their context, the quantity that specifies a stationary kernel, and whether this content can be read out as an explicit kernel. We answer both questions. First, across seven PFNs, including four pretrained TFMs and a model trained only on a decision-tree prior, a linear probe on the residual stream recovers the frequency of the context with R2≥0.95R^2 \geq 0.95. This structure is led by a single principal direction. Second, activation and subspace patching show that the network uses the structure through a low-dimensional subspace, where a few spectral directions move predictions far more than random ones. This holds even for the decision-tree model, so a spectral training prior is not required. On real datasets with up to 499 features, 64 of the 192 directions of TabPFN, chosen without labels, carry 85 to 95% of the causal effect of the context in all but one pair. Third, we introduce a Filter Bank Decoder that turns frozen PFN representations into an explicit stationary kernel through Bochner's theorem. Without any test-time optimization, the decoded kernel supports Gaussian process regression competitive with deep kernel learning and random Fourier features at about 200×200\times lower cost. PFN latents therefore hold spectral structure that is causally used and recoverable as a portable kernel.

Figures & tables

Appendix figures & tables40 assets

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

Jun 9, 2026cs.LG

CRUMB: Efficient Prior Fitted Network Inference via Distributionally Matched Context Batching

Prior-fitted networks (PFNs) are a promising class of tabular foundation models that perform in-context learning, whereby the entire labelled training set is supplied as context, and predictions for test queries are produced in a single forward pass. However, the quadratically scaling self-attention mechanism in many PFN architectures makes inference prohibitive for very large training datasets. We propose CRUMB (Clustered Retrieval Using Minimised-MMD Batching), a three-stage inference wrapper that (i) clusters the test queries, (ii) selects a small, distributionally matched training subset for each cluster by greedily minimising the maximum mean discrepancy (MMD), and (iii) runs exact PFN inference on each reduced-context batch. CRUMB is architecture-agnostic and requires no retraining. On the 51-dataset TabArena benchmark, evaluated across three PFN architectures (TabPFNv2, TabICLv1, TabICLv2), we show that CRUMB outperforms similar state-of-the-art context selection strategies. We also show that CRUMB is resilient to covariate drift, as the MMD-minimisation step naturally helps align the training context distribution to match the current test batch distributions.
May 7, 2026stat.ML

Decoupled PFNs: Identifiable Epistemic-Aleatoric Decomposition via Structured Synthetic Priors

Prior-Fitted Networks (PFNs) amortize Bayesian prediction by meta-learning over a synthetic task prior, but their standard output is a posterior predictive distribution over noisy observations. For sequential decision-making, such as active learning and Bayesian optimization, acquisition should prioritize epistemic uncertainty about the latent signal rather than irreducible aleatoric observation noise. We show that this epistemic--aleatoric split is not identifiable in general from the posterior predictive distribution alone, even when that distribution is known exactly. We then exploit a distinctive advantage of PFNs: because the synthetic data-generating process is under our control, each task can contain an explicit latent signal and noise function, and the generator can provide query-level labels for both the noiseless target and the observation-noise variance. We use these labels to train a decoupled PFN with separate latent-signal and aleatoric heads. The observation-level predictive is induced by convolving the latent signal distribution with the learned noise model. Empirically, epistemic-only acquisition mitigates the failure mode of total-variance exploration in noisy and heteroscedastic settings. In matched comparisons, decoupled models usually improve over tuned observation-level baselines, with the clearest gains in HPO; in broader sweeps, a decoupled model obtains the best average rank in both HPO and synthetic BO.
May 11, 2026stat.ML

PFN-TS: Thompson Sampling for Contextual Bandits via Prior-Data Fitted Networks

Thompson sampling is a widely used strategy for contextual bandits: at each round, it samples a reward function from a Bayesian posterior and acts greedily under that sample. Prior-data fitted networks (PFNs), such as TabPFN v2+ and TabICL v2, are attractive candidates for this purpose because they approximate Bayesian posterior predictive distributions in a single forward pass. However, PFNs predict noisy future rewards, while Thompson sampling requires uncertainty over the latent mean reward function. We propose PFN-TS, a Thompson sampling algorithm that converts PFN posterior predictives into mean-reward samples using a subsampled predictive central limit theorem. The method estimates posterior variance from a geometric grid of O(log⁡n)O(\log n) dataset prefixes rather than the full O(n)O(n) predictive sequence used in previous predictive-sequence approaches, and reuses TabICL's cached representations across rounds. We prove consistency of the subsampled variance estimator and give a Bayesian regret bound that decomposes PFN-TS regret into exact posterior-sampling regret under the PFN prior plus approximation terms. Empirically, PFN-TS achieves the best average rank across nonlinear synthetic and OpenML classification-to-bandit benchmarks, remains competitive on linear and BART-generated rewards, and attains the highest estimated policy value in an offline mobile-health evaluation. Code is available at https://anonymous.4open.science/r/PFN_TS-36ED/.