Decoupled PFNs: Identifiable Epistemic-Aleatoric Decomposition via Structured Synthetic Priors
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Hyperparameter Optimization | Kin8nm LGBM (test) | Final Simple Regret0.0078 | 22 | |
| Hyperparameter Optimization | Airlines LGBM (test) | Final Simple Regret0.0117 | 22 | |
| Hyperparameter Optimization | California XGB (test) | Final Simple Regret0.0225 | 22 | |
| Hyperparameter Optimization | Airlines XGB (test) | Final Simple Regret0.0209 | 22 | |
| Hyperparameter Optimization | Breast Cancer SVM (test) | Final Simple Regret0.0061 | 22 | |
| Hyperparameter Optimization | California LGBM (test) | Final Simple Regret0.0186 | 22 | |
| Hyperparameter Optimization | Diabetes RF (test) | Final Simple Regret0.9243 | 22 | |
| Hyperparameter Optimization | Kin8nm XGB (test) | Final Simple Regret0.0079 | 22 |