Fast Generalized Neural Tangent Kernel Statistics via Trace Estimation

In training a neural network with gradient descent (GD), each iteration induces a linear operator that governs first-order updates to a model's internal state variables. We define this operator as the Global Empirical Neural Tangent Kernel (NTK). In finite-width networks, the NTK is typically intractable to form, leading prior work to focus on restrictive settings such as tracking outputs only or taking infinite-width limits. Here, we study the structure of the NTK for a range of models. Formulating the model state as the solution to a single global implicit constraint, we derive the NTK as a product of two operators: K, accounting for immediate parameter-to-state interactions, and P, describing internal state-to-state dependencies. For a broad class of weight-based models, including RNNs and transformers, we prove a universal Kronecker-core theorem showing that K admits an exact, computable form given by the Gram matrix of weight-site variables. This core structure reveals that the NTK is structurally bottlenecked, constraining its effective rank and giving rise to a self-referential bias whereby GD preferentially learns within dominant modes of joint hidden and input activity. For recurrent models, we examine the spectrum of the NTK and show when it is biased and low-rank in space or time under the proposed decomposition. We further demonstrate that model dynamics at initialization bias the NTK, restricting learning and preventing task components from being learned effectively. Finally, we show that the NTK associated with a self-attention transformer is likewise structurally constrained to be low-rank. Overall, we show that the NTK possesses tractable structure that explains GD bias toward task solutions and the emergence of low-rank representations. To enable use of the NTK as a practical metric, we build kpflow, a library relying on randomized matrix-free numerical linear algebra.

The Neural Tangent Kernel (NTK) framework explains optimization in over-parameterized neural networks via approximately linearized dynamics, yielding exponential convergence guarantees. However, existing results are often overly pessimistic and do not match the fast training in practice, as they depend on the smallest NTK eigenvalue, which is typically extremely small in practice. In this work, we develop sharper convergence guarantees by characterizing the interaction between data labels and the NTK eigen-spectrum. We identify two key phenomena, Label-NTK alignment and Residual-NTK alignment, showing that projections of labels and residuals onto NTK eigenvectors scale with the corresponding eigenvalues. We provide empirical evidence and theoretical justification under mild data assumptions. Exploiting these alignment properties, we derive a refined convergence bound that depends on the full spectrum and closely matches practical training dynamics, significantly improving over classical worst-case results. We further obtain improved generalization bounds. Experiments on MLPs and CNNs across multiple datasets validate our theory.

A persistent empirical observation is that trained neural networks outperform their neural tangent kernel (NTK) limit on tasks with compositional structure, yet a quantitative account of $\textbf{when}$ and $\textbf{by how much}$ has been lacking. Working on the unit circle, we give such an account through a dichotomy between two complexity measures of the target: its $\textbf{Fourier complexity}$, which controls NTK kernel regression, and its $\textbf{architectural complexity}$, which controls learning over depth-$L$, width-$w$ ReLU networks with the variation norm of the weights bounded by $R$. We first characterize the minimax rate of the architecture class $\mathcal{C}_{L,w,R}$, pinning it down up to a single factor of $L$: between $Ω(Lw^2R^2/n)$ and $\tilde{O}(L^2w^2R^2/n)$. We then show the NTK estimator sits $\textbf{exponentially}$ above this floor whenever the two complexities decouple: for the depth-$L$ iterated sawtooth, NTK regression needs $Ω(4^L)$ samples while the minimax floor is polynomial in $L$. Numerical experiments confirm the theoretical claims: on bandlimited smooth targets, the NTK is competitive or better, while on the hypercube sparse-parity model, a standard two-layer network beats the NTK by four to six orders of magnitude in test error. The gap is thus a function-space property, a mismatch between the kernel's smoothness bias and the target's compositional structure, rather than a generic kernel-versus-network phenomenon.