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Dichotomy of Early and Late Phase Implicit Biases Can Provably Induce Grokking

ICLR 2024 · Learning theory and algorithms › Kernels and regression theory · approach: Double descent and overfitting · 2 citations (OpenAlex)

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Proves that grokking can arise in homogeneous neural nets trained with large initialization and small weight decay, via a sharp transition from an early kernel-regime (NTK max-margin) predictor to a late rich-regime (KKT max-margin/min-norm) predictor, with diagonal linear net and matrix completion examples.

Problem

Grokking (delayed sharp transition from memorization to generalization) has lacked rigorous proof in neural network settings and a quantitative explanation for why the transition is sharp.

Approach

Large initialization induces an early kernel-regime implicit bias toward NTK predictors, while small weight decay induces a late-phase bias toward min-norm/max-margin predictors; the time-scale separation (1-c)/λ log α vs (1+c)/λ log α makes the transition provably sharp. Also introduces misgrokking, where the order is reversed.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Increase the initialization scale (ablation)Two-layer ReLU net on modular addition · Modular addition testtime to sharp test-accuracy transition: alpha increases from 1 to 100Hurt
Reduce weight decay (ablation)Two-layer ReLU net on modular addition · Modular addition testtime to sharp test-accuracy transitionHurt
Increase weight decay (ablation)Two-layer ReLU net on modular addition · Modular addition testtime to test-accuracy transitionHelped
Increase weight decay beyond a small threshold (ablation)Two-layer ReLU net on modular addition · Modular addition trainingtraining accuracyHurt
Remove weight decay (ablation)Two-layer ReLU net on modular addition · Modular addition testaccuracy: test accuracy slowly transitions from ~0\% to 100\% as t increases from 10^{10^2} to 10^{10^4}; with weight decay, the sMixed
Use large initialization and small non-zero weight decayHomogeneous neural nets · Classification and regression taskstransition from kernel predictor to min-norm/max-margin predictor: \frac{1-c}{\lambda} \log \alpha to \frac{1+c}{\lambda} \log \alphaHelped
Train longer, moving from the kernel regime to the rich regimeDiagonal linear net on sparse linear classification · Sparse linear classification testaccuracy: 100\%Helped
Train longer, moving from the early phase to the late phaseDiagonal linear net on large-L2-margin classification · Large-L2-margin linear classification testaccuracy: 100\% to nearly 50\%Hurt
Train longer, moving from the kernel phase to the rich phaseMatrix factorization on the multiplication table · Multiplication-table matrix completion test losstest loss: \sim 10^1 steps to minimize the training loss; sharp transition in test loss after \sim 10^6 stepsHelped

Surprising findings

Limitations

Experimental setup

Datasets: modular addition over Z_97 (synthetic) synthetic sparse linear classification data synthetic Gaussian misgrokking data synthetic multiplication-table matrix completion

Metrics: test accuracy test loss training accuracy

Baselines: NTK predictor max L1-margin classifier max L2-margin classifier nuclear norm minimization

Builds on: Neural tangent kernel Implicit bias of gradient descent on homogeneous networks Power et al. 2022 grokking

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