The Weight Gram Matrix Captures Sequential Feature Linearization in Deep Networks
Authors: Taehun Cha, Daniel Beaglehole, Adityanarayanan Radhakrishnan, Donghun Lee
Abstract
Understanding how deep neural networks learn representations remains a central challenge in machine learning theory. In this work, we propose a feature-centric framework for analyzing neural network training by relating weight updates to feature evolution. We introduce a simple identity, the Feature Learning Equation, which identifies the weight Gram matrix as the key object capturing feature dynamics. This enables us to interpret gradient descent as implicitly inducing a hypothetical evolution of features, whose covariance structure - termed the Virtual Covariance - characterizes how representations evolve during training. Building on this perspective, we introduce Target Linearity, a measure quantifying the linear alignment between features and targets. By analyzing the training and layer-wise dynamics, we show that deep networks learn to sequentially transform representations toward target-linear structure. This linearization perspective provides a unified interpretation of several empirical phenomena, including Neural Collapse and linear interpolation in generative models.
Over the past decade, deep learning has proven to be a highly effective tool for learning meaningful features from raw data. However, it remains an open question how deep networks perform hierarchical feature learning across layers. In this work, we attempt to unveil this mystery by investigating the structures of intermediate features. Motivated by our empirical findings that linear layers mimic the roles of deep layers in nonlinear networks for feature learning, we explore how deep linear networks transform input data into output by investigating the output (i.e., features) of each layer after training in the context of multi-class classification problems. Toward this goal, we first define metrics to measure within-class compression and between-class discrimination of intermediate features, respectively. Through theoretical analysis of these two metrics, we show that the evolution of features follows a simple and quantitative pattern from shallow to deep layers when the input data is nearly orthogonal and the network weights are minimum-norm, balanced, and approximate low-rank: Each layer of the linear network progressively compresses within-class features at a geometric rate and discriminates between-class features at a linear rate with respect to the number of layers that data have passed through. To the best of our knowledge, this is the first quantitative characterization of feature evolution in hierarchical representations of deep linear networks. Empirically, our extensive experiments not only validate our theoretical results numerically but also reveal a similar pattern in deep nonlinear networks which aligns well with recent empirical studies. Moreover, we demonstrate the practical implications of our results in transfer learning. Our code is available at https://github.com/Heimine/PNC_DLN.
In artificial and biological neural networks, concepts are often encoded as consistent linear directions in representation space. In deep learning, this idea is known as the linear representation hypothesis and underpins many interpretability and control methods based on linear probes, from concept detection to activation steering. Yet while prior work has studied whether such directions should exist after training, the dynamics of how they emerge during training remain poorly understood. Here, we develop a framework to study the alignment of concept directions during training - a process we call "abstraction". In a minimal linear network setting, we obtain exact solutions for the full trajectory of abstraction. These solutions reveal key analytic principles governing abstraction: (i) data and target geometry jointly determine abstraction at the end-of-learning, (ii) abstraction improves with network depth, and (iii) initialization scale controls the maximum abstraction reached during training. Extending our theory to nonlinear networks, we analyze how the choice of nonlinearity affects abstraction dynamics: erf networks approximate the linear theory, while abstraction in ReLU networks depends less on target geometry and more on input geometry. Across both, we prove a striking attenuation law: both nonlinearities weaken abstraction in activations relative to preactivations. We find evidence for this law in open models (DINOv3, Gemma 4) and apply our theory to improve linear probe generalization in LLMs. Together, our results provide a dynamical theory of abstraction with implications for interpretability and control.
Alignment, the tendency of adjacent weight matrices in deep networks to develop compatible subspace orientations, underlies gradient flow, Neural Collapse, and representation similarity across architectures. Despite extensive empirical documentation, these phenomena have resisted unified theoretical treatment: existing explanations are post-hoc, each fitted to a specific observation with whatever mathematics is at hand. We reverse this direction by deriving the mathematical structure that layerwise alignment inherently demands. Using geometric invariant theory, we prove that alignment geometry has a canonical closed, polystable stratum given by a flag variety, and that subspace intersection dimension is its unique reparameterization-invariant observable, establishing that subspace metrics are not empirical conventions but mathematical necessities. This unified framework yields two dynamical consequences: ridge regularization drives subspace alignment at an exponential rate set by weight decay, whereas nonlinear activations induce a commutator obstruction to exact basis alignment, generically present in nonlinear networks and absent in linear ones. Together these give a geometric explanation of the Level-2/3 hierarchy in Neural Collapse from first principles rather than post-hoc analysis. The commutator magnitude and head subspace overlap further serve as weight-space windows into internal alignment structure, requiring no forward passes. Experiments on multilayer perceptrons, residual networks, and pretrained language models support the proposed diagnostics and delineate their scope.