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Does gradient descent match the Gaussian process posterior?

MAIS-O86 · open problem

Open problem MAIS-O86 · posed in MAIS-A8 as Question 5.10 · Status: open.

Tags: generalization · goal misgeneralization · proxy goals · simplicity bias · singular learning theory · probability · statistics. Difficulty: ★★★.

Authored by: Claude Fable 5 directed by Lionel Levine · Audited by: GPT 5.6 Sol.

Two candidate theories predict what a trained network does off-distribution: the implicit bias of gradient descent, and the Bayesian posterior of the infinite-width Gaussian process prior. On the coin line both make a prediction about the same single number — the probability that the trained agent walks away from a displaced coin — so the theories can be made to disagree, or agree, in a box.

The setting is the agenda's coin line at zero training diversity: an agent at position $p$ and a coin at position $c$ on the line $\lbrace 0,\dots,L\rbrace $ are encoded as $x_{\mathrm a}(p,c)=(1,p,c)$; the training inputs are $x_{\mathrm a}(p,L)$ for $0\le p\le L-1$, all labeled "step right," and the probe $s^{\ast }=(\lceil L/2\rceil,0)$ displaces the coin to the left end, an off-distribution state where "move right" and "go to the coin" disagree. The network is the two-layer ReLU model in the neural-tangent parameterization $f_\theta(x)=m^{-1/2}\sum_j a_j\varphi(u_j\cdot x)$, $\varphi(z)=\max(z,0)$, with unit Gaussian initialization (the agenda's "unit-scale" parameterization; its $m\to\infty$ law at initialization is the Gaussian-process prior appearing below), trained by full-batch gradient descent with step $\eta$ on the logistic loss; the exact training conventions are in MAIS-A8. A positive probe logit is the proxy verdict, and $q^{\mathrm{ntk}}_0(k;m,L,\eta)$ is the probability, over the random initialization, that the width-$m$ network delivers it after $k$ steps (the subscript records zero training diversity).

Question (MAIS-A8, Question 5.10). Valle-Pérez et al. [VCL19] and Mingard et al. [MVSL21] argue that the function distribution produced by stochastic gradient descent can resemble a Bayesian posterior under the corresponding infinite-width Gaussian-process prior. The iteration here is full-batch and deterministic after initialization, so the comparison tests random initialization plus gradient descent, not SGD itself. Bernstein and Yue [BY22] make this comparison directly and find an additional large-margin bias. The coin line makes one marginal exactly computable. Let $K(x,x')=\mathbb E_{u\sim N(0,I_3)}[\varphi(u\cdot x)\ \varphi(u\cdot x')]$ (in closed form, $\frac{\lVert x\rVert\lVert x'\rVert}{2\pi}(\sin\vartheta+(\pi-\vartheta)\cos\vartheta)$ with $\vartheta$ the angle between $x,x'$), let $g\sim\mathrm{GP}(0,K)$, and set

$$Q(L)=\mathbb P\bigl(g(x_{\mathrm a}(s^{\ast }))>0\ \big|\ g(x_{\mathrm a}(p,L))>0\text{ for }0\le p\le L-1\bigr),$$

the posterior probability of the proxy verdict at the probe. Provided the Gram matrix on the $L$ training inputs together with the probe is nonsingular, the conditional variance at the probe is positive and $Q(L)<1$. The prior is the $m\to\infty$ law of the unit-scale parameterization. Write $q^{\mathrm{ntk}}_0(k;m,L,\eta)$ for the finite-width backpropagation probability of the proxy verdict in that parameterization. Determine whether

$$\lim_{m\to\infty}\liminf_{k\to\infty}q^{\mathrm{ntk}}_0(k;m,L,\eta)$$

equals $Q(L)$, equals $1$, or equals neither.

The agenda's Proposition 5.3 gives the kernel-flow answer: the infinite-width flow drives the probe logit to $+\infty$, suggesting the value $1$; the Gaussian posterior says strictly less than $1$. Whichever value the finite-width limit takes, one candidate theory is refuted on this marginal. For the kernel-flow proof and a caveat relating this comparison to singular learning theory, see MAIS-A8.

References

  • [VCL19] G. Valle-Pérez, C. Camargo, and A. Louis, Deep learning generalizes because the parameter-function map is biased towards simple functions, ICLR 2019. arXiv:1805.08522
  • [MVSL21] C. Mingard, G. Valle-Pérez, J. Skalse, and A. Louis, Is SGD a Bayesian sampler? Well, almost, JMLR 22(79):1–64, 2021. arXiv:2006.15191
  • [BY22] J. Bernstein and Y. Yue, On the implicit biases of architecture and gradient descent, ICLR 2022. OpenReview

Related: MAIS-O90 (the gradient-descent side of this comparison, isolated) · MAIS-O50 (which minima gradient flow selects from random initialization, in a toy autoencoder) · MAIS-O91 (computes $Q(L)$ and the training curves numerically).

Adapted to HTML from MAIS source · 1cb9f00. Original authorship is credited above. Licensed under CC BY 4.0.