How Wrong Can a Good Predictor Be? Diverging Updates with Vanishing Predictive KL
Authors: Qifu Wen, Shuaijun Liu, Zihan Zhou, Xi Zeng, Ningxin Su
Abstract
Accurate posterior prediction need not require accurate approximation of Bayesian updates. We prove that an unbounded gap between the update maps can coexist with vanishing predictive KL for every fixed finite K≥2 in a stationary symmetric Gaussian HMM. Exact Bayesian mixing and an explicit deterministic radial filter act on the same K−1 belief coordinates. As q→0+, their separation in centered logits in the worst case grows at least linearly in the natural confidence scale LK(q), while their categorical DKL(exact∥radial) vanishes at the same explicit witness. Along stationary HMM trajectories, the expected terminal KL between filtered posteriors also converges to zero at H(q)=⌈−log(q)/c⌉+1. Typical blocks without switches drive both filters into a common confidence cone, where softmax curvature suppresses their disagreement; a single Gaussian maximal event controls adaptive noise. A sweep with equally spaced Gaussians over K∈{2,4,8} illustrates the opposing trends, and binary controls at long horizons compare saturating and nonsaturating recurrences. The result isolates two missing links between internal update gaps and predictive cost: the contribution of separating states to expected loss and decoder sensitivity. Thus even an unbounded internal update gap does not by itself certify predictive failure. The construction is fixed in K and does not provide a universal criterion for when compression is harmless or characterize when internal gaps must incur task loss.
PAC-Bayes theory provides generalization guarantees by controlling the Kullback--Leibler (KL) divergence between posterior and prior distributions over a chosen hypothesis representation. However, predictive risk depends only on the predictive behavior induced by a hypothesis, not on the particular internal realization that implements that behavior. In over-parameterized systems, many distinct configurations induce identical predictive behavior, yet the classical PAC-Bayes KL divergence does not distinguish uncertainty over predictive behavior from variation among behaviorally equivalent realizations. We show that this distinction induces an exact structural decomposition of classical PAC-Bayes complexity. We formalize behavioral equivalence through a measurable behavior map and use measure disintegration to decompose probability measures on the configuration space into a distribution over predictive behaviors and conditional distributions over behavioral fibers. This yields an exact decomposition of the classical PAC-Bayes KL divergence into a behavior-selection term and a realization-level term given by an expected conditional KL within fibers. We define Z-information as the negative of this realization-level contribution: the exact gap between the KL divergence and the complexity of uncertainty over predictive behavior alone. We further show that the behavior-selection term admits an exact variational characterization: it is the minimum KL divergence among all posteriors inducing the same distribution over predictive behaviors, attained by a canonical fiber-symmetrized representative. Finally, we show that symmetry, behavior-preserving directions, fiber geometry, and invariance under fiber-preserving perturbations arise naturally from the same behavior-map structure. Together, these results identify predictive behavior as the natural object of PAC-Bayes complexity.
Vasant G. Honavar, Satish Kumar Keshri, Neil Ashtekar +1
Vanilla variational inference finds an optimal approximation to the Bayesian posterior distribution, but even the exact Bayesian posterior is often not meaningful under model misspecification. We propose predictive variational inference (PVI): a general inference framework that seeks and samples from an optimal posterior density such that the resulting posterior predictive distribution is as close to the true data generating process as possible, while this closeness is measured by multiple scoring rules. By optimizing the objective, the predictive variational inference is generally not the same as, or even attempting to approximate, the Bayesian posterior, even asymptotically. Rather, we interpret it as implicit hierarchical expansion. Further, the learned posterior uncertainty detects heterogeneity of parameters among the population, enabling automatic model diagnosis. This framework applies to both likelihood-exact and likelihood-free models. We demonstrate its application in real data examples.
Bayesian accounts of in-context learning face a direct objection: exact posterior predictives for exchangeable data are invariant to task-preserving order, yet transformers change next-token probabilities when the same examples are serialized differently. We show this objection targets a structural invariant rather than the quantity scoring online prediction. For any Bayesian reference, excess prequential code length is exactly cumulative predictive KL. For unordered support sets that must be serialized, the expected regret of a single admissible ordering decomposes into that of the order-averaged predictor plus an order-averaging gain. Exchangeability violations are therefore not binary refutations; they are priced by log loss. We instantiate the theory with KT/Dirichlet finite-alphabet prediction and coarsened Bayesian linear-regression (BLR) predictive distributions. On Qwen2.5-7B/14B, floored candidate distributions at support 256 have one-step excess code lengths of 0.020/0.011 bits for Bernoulli and 0.039/0.022 bits for four-way categorical prediction, with candidate mass above 0.999; coarsened BLR continuations increasingly match the posterior-predictive digit distribution as support grows. A frequentist plug-in baseline sharpens the reading: the predictive distributions sit closer to the Bayesian posterior predictive than to the maximum-likelihood plug-in, by a margin largest at small support, where the plug-in is degenerate, and vanishing as the references converge. Position interventions and a from-scratch ablation localize order sensitivity to the positional encoding, activation patching tests causal use of decoded sufficient statistics, and permutation mixtures quantify the downstream log-loss cost of arbitrary orderings. Transformers need not realize exchangeable posterior predictives for every serialization to be Bayes-competitive prequential predictors.