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Dynamical Decoupling of Generalization and Overfitting in Large Two-Layer Networks
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Uses dynamical mean field theory on a Gaussian approximation of two-layer networks trained by gradient flow to show a timescale separation between feature learning, overfitting, and feature unlearning in the large-width limit.
Problem
Understanding how the training dynamics of overparametrized two-layer networks determine implicit bias, generalization, and when overfitting begins relative to feature learning.
Approach
Characterize gradient flow on two-layer networks with DMFT, replacing the non-Gaussian fitting errors by Gaussian processes with matching covariance, and show that the second-layer complexity acts as a slow variable, decoupling feature learning (fast) from overfitting (slow, time order m).
Key results
- With mean-field initialization, DMFT predicts test and train error converge to the Bayes error tau^2/2 in the first O(1) time regime, with train-test gap negligible.
- Overfitting and feature unlearning occur on times t = Omega(m): second-layer weights grow to order sqrt(m) and the test error rises above the Bayes error while train error goes to zero.
- For pure noise, gradient flow interpolates only if complexity gamma exceeds a threshold gamma*_GF(alpha) that converges as m grows; the threshold lies in (0,1).
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| use mean-field initialization instead of lazy initialization | two-layer network on a single-index model · single-index model, large-width limit | test error | Helped |
| continue training into the overfitting regime until interpolation | two-layer network with latent structure · single-index model, large-width limit | test error | Hurt |
| increase training time into the late regime | two-layer network with latent structure · single-index model, large-width limit | test error | Hurt |
| increase network width at fixed overparametrization ratio n/md=α | two-layer network · single-index model | overfitting onset time | Helped |
| initialize with complexity below the interpolation threshold, allowing complexity to grow during training | gradient flow on a two-layer network · single-index model | training error | Helped |
| initialize with complexity above the interpolation threshold | gradient flow on a two-layer network · single-index model | test error | Hurt |
| stop training at the end of the first phase rather than continue into overfitting | two-layer network with low-complexity initialization · single-index model | test error | Helped |
Surprising findings
- Training until interpolation is generally suboptimal; the best generalization tradeoff occurs at the end of the first feature-learning phase, and test error rises afterward.
- Feature unlearning: the projection of first-layer weights onto the latent subspace decays to order 1/sqrt(m) during overfitting.
Limitations
- DMFT is applied to a Gaussian approximation of the network's fitting errors; rigorous justification is only for times of order one or logarithmic scales.
- Analysis restricted mainly to single-index models with k=1 and symmetric initialization; the t=Theta(m) scaling is not precisely determined.
Experimental setup
Datasets: synthetic single-index model data (Gaussian inputs, k=1) pure noise data
Metrics: train error test error generalization error second-layer weight l1 norm
Baselines: neural tangent kernel theory lazy initialization
Builds on: dynamical mean field theory mean field theory of two-layer networks neural tangent kernel
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