Organizations: Center for Computational Neuroscience, Flatiron Institute, New York, NY, USA. · Department of Physics, Harvard University, Cambridge, MA, USA. · Kempner Institute, Harvard University, Allston, MA, USA. · New York University, New York, NY, USA.
Abstract
Training loss and accuracy are the standard signals used to monitor generalization during deep neural network training. Two well-documented phenomena complicate this picture: in grokking, train loss falls rapidly while test performance improves abruptly only after a long delay; in epoch-wise double descent, train loss decreases monotonically while test loss or error rises and falls. Existing accounts are often task-specific, and a task-agnostic analysis framework for diagnosing and explaining these phenomena across realistic tasks and architectures is missing. We address this challenge by analyzing two competing processes that underlie learning dynamics: representation learning in the encoder and readout calibration in the final classifier. Using tools from representational geometry, neural tangent kernels, and linear probing, we show that both processes are active throughout training, with the fluctuations of their relative speed giving rise to seemingly anomalous generalization dynamics. Applying the representation-readout decomposition to grokking across a wide range of tasks and architectures, we find that the readout is train-biased before grokking onset, and representation learning is gradual but not absent, contrary to the lazy-to-rich account. The framework further provides diagnostic signatures distinguishing spurious from genuine generalization: in a previously reported MNIST grokking example and an epoch-wise double descent example, apparent delayed or non-monotone generalization is shown to arise from representation degradation and readout misalignment induced by non-standard training recipes. Together, these results establish the representation-readout decomposition as a top-down framework for understanding learning dynamics and revealing underlying algorithms for interpretability research.
Grokking is a phenomenon in which neural networks initially memorize training data and only later exhibit strong generalization after prolonged optimization. Despite extensive recent study, the factors influencing the emergence and timing of grokking remain incompletely understood. We investigate the relationship between representation geometry and delayed generalization. We find that dimensionality collapse consistently precedes the onset of grokking in all evaluated settings. Motivated by these observations, we introduce Geometric Dimensionality Regularization (GeomDR), a simple spectral regularizer that modifies the effective dimensionality of hidden representations during training. Across modular addition, modular division, and permutation composition tasks, GeomDR consistently alters grokking dynamics and can substantially accelerate the onset of generalization depending on the intervention schedule and target dimensionality. In several settings, grokking is accelerated by up to 52 times relative to standard AdamW training. Similar qualitative effects are observed in both multilayer perceptrons and transformers. Together, these results suggest that representation geometry can serve as an effective control signal for grokking and provide evidence that geometric interventions offer a practical approach for studying and influencing delayed generalization in neural networks.
Grokking suggests that fitting the training data and learning a simple underlying rule may occur on different time scales. We formalize this phenomenon by separating the fast decay of the classification loss from the slower simplification of the learned representation, and we call the resulting pair of stopping times two training clocks. For deep linear networks, we show that a post-margin gap-growth or one-step tail-contraction condition reduces the cross-entropy loss to level epsilon on a logarithmic time scale. In contrast, when layerwise weight decay is present, the induced regularization on the end-to-end map can be expressed as a Schatten-type penalty; under a sharp late-time Kurdyka-Lojasiewicz tail, this structural energy closes on a polynomial time scale. The two clocks, therefore, separate fitting from representation simplification. We then explain how the same mechanism can appear in ReLU MLPs. In regions where the activation patterns on the training set remain fixed, the network reduces to a linear model in the active coordinates. In a two-layer ReLU embedding model, chain-rule estimates further show that the classifier head can receive larger effective gradients than the embedding block under controlled downstream norms. This supports a two-stage mechanism in which the classifier fits first, while the representation continues to simplify later. We use modular addition as the main experimental setting. The deep linear theory provides the rigorous core of the analysis. But the ReLU results are formulated as conditional reductions that account for empirical behavior without claiming a global proof for nonlinear training dynamics.
We present a non-asymptotic theory of generalization in deep learning where the empirical neural tangent kernel partitions the output space. In directions corresponding to signal, error dissipates rapidly; in the vast orthogonal dimensions corresponding to noise, the kernel's near-zero eigenvalues trap residual error in a test-invisible reservoir. Within the signal channel, minibatch SGD ensures that coherent population signal accumulates via fast linear drift, while idiosyncratic memorization is suppressed into a slow, diffusive random walk. We prove generalization survives even when the kernel evolves O(1) in operator norm, the full feature-learning regime. This theory naturally explains disparate phenomena in deep learning theory, such as benign overfitting, double descent, implicit bias, and grokking. Lastly, we derive an exact population-risk objective from a single training run with no validation data, for any architecture, loss, or optimizer, and prove that it measures precisely the noise in the signal channel. This objective reduces in practice to an SNR preconditioner on top of Adam, adding one state vector at no extra cost; it accelerates grokking by 5×, suppresses memorization in PINNs and implicit neural representations, and improves DPO fine-tuning under noisy preferences while staying 3× closer to the reference policy.