Detecting overfitting in Neural Networks during long-horizon grokking using Random Matrix Theory

Training Neural Networks (NNs) without overfitting is difficult; detecting that overfitting is difficult as well. We present a novel Random Matrix Theory method that detects the onset of overfitting in deep learning models without access to train or test data. For each model layer, we randomize each weight matrix element-wise, $\mathbf{W} \to \mathbf{W}^{\mathrm{rand}}$, fit the randomized empirical spectral distribution with a Marchenko-Pastur distribution, and identify large outliers that violate self-averaging. We call these outliers Correlation Traps. During the onset of overfitting, which we call the "anti-grokking" phase in long-horizon grokking, Correlation Traps form and grow in number and scale as test accuracy decreases while train accuracy remains high. Traps may be benign or may harm generalization; we provide an empirical approach to distinguish between them by passing random data through the trained model and evaluating the JS divergence of output logits. Our findings show that anti-grokking is an additional grokking phase with high train accuracy and decreasing test accuracy, structurally distinct from pre-grokking through its Correlation Traps. More broadly, we find that some foundation-scale LLMs exhibit the same Correlation Traps, indicating potentially harmful overfitting.

Late-Stage Generalization Collapse in Grokking: Detecting anti-grokking with Weightwatcher

\emph{Memorization} in neural networks lacks a precise operational definition and is often inferred from the grokking regime, where training accuracy saturates while test accuracy remains very low. We identify a previously unreported third phase of grokking in this training regime: \emph{anti-grokking}, a late-stage collapse of generalization. We revisit two canonical grokking setups: a 3-layer MLP trained on a subset of MNIST and a transformer trained on modular addition, but extended training far beyond standard. In both cases, after models transition from pre-grokking to successful generalization, test accuracy collapses back to chance while training accuracy remains perfect, indicating a distinct post-generalization failure mode. To diagnose anti-grokking, we use the open-source \texttt{WeightWatcher} tool based on HTSR/SETOL theory. The primary signal is the emergence of \emph{Correlation Traps}: anomalously large eigenvalues beyond the Marchenko--Pastur bulk in the empirical spectral density of shuffled weight matrices, which are predicted to impair generalization. As a secondary signal, anti-grokking corresponds to the average HTSR layer quality metric $α$ deviating from $2.0$. Neither metric requires access to the test or training data. We compare these signals to alternative grokking diagnostic, including $\ell_2$ norms, Activation Sparsity, Absolute Weight Entropy, and Local Circuit Complexity. These track pre-grokking and grokking but fail to identify anti-grokking. Finally, we show that Correlation Traps can induce catastrophic forgetting and/or prototype memorization, and observe similar pathologies in large-scale LLMs, like OSS GPT 20/120B.

SETOL: A Semi-Empirical Theory of (Deep) Learning

We present a SemiEmpirical Theory of Learning (SETOL) that explains the remarkable performance of State-Of-The-Art (SOTA) Neural Networks (NNs). We provide a formal explanation of the origin of the fundamental quantities in the phenomenological theory of Heavy-Tailed Self-Regularization (HTSR): the heavy-tailed power-law layer quality metrics, alpha and alpha-hat. In prior work, these metrics have been shown to predict trends in the test accuracies of pretrained SOTA NN models, importantly, without needing access to either testing or training data. Our SETOL uses techniques from statistical mechanics as well as advanced methods from random matrix theory and quantum chemistry. The derivation suggests new mathematical preconditions for ideal learning, including a new metric, ERG, which is equivalent to applying a single step of the Wilson Exact Renormalization Group. We test the assumptions and predictions of SETOL on a simple 3-layer multilayer perceptron (MLP), demonstrating excellent agreement with the key theoretical assumptions. For SOTA NN models, we show how to estimate the individual layer qualities of a trained NN by simply computing the empirical spectral density (ESD) of the layer weight matrices and plugging this ESD into our SETOL formulas. Notably, we examine the performance of the HTSR alpha and the SETOL ERG layer quality metrics, and find that they align remarkably well, both on our MLP and on SOTA NNs.