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

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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.

Richard Bergna, Stefan Depeweg, Jos\'e Miguel Hern\'andez-Lobato• 2026

Related benchmarks

TaskDatasetResultRank
Hyperparameter OptimizationKin8nm LGBM (test)
Final Simple Regret0.0078
22
Hyperparameter OptimizationAirlines LGBM (test)
Final Simple Regret0.0117
22
Hyperparameter OptimizationCalifornia XGB (test)
Final Simple Regret0.0225
22
Hyperparameter OptimizationAirlines XGB (test)
Final Simple Regret0.0209
22
Hyperparameter OptimizationBreast Cancer SVM (test)
Final Simple Regret0.0061
22
Hyperparameter OptimizationCalifornia LGBM (test)
Final Simple Regret0.0186
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Hyperparameter OptimizationDiabetes RF (test)
Final Simple Regret0.9243
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Hyperparameter OptimizationKin8nm XGB (test)
Final Simple Regret0.0079
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