Neural Tangent Kernel

High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit exceptional storage capabilities and robustness. Previous empirical studies identified a hyperparameter regime, the "Ridge of Optimization," where attractor stability is maximized. However, the geometric nature of this regime and the optimization dynamics required to reach it have remained unclear. In this paper, we investigate the static geometry of the parameter space and the learning trajectory of Gradient Descent (GD) in KLR-trained Hopfield networks. Using the eigenvalue spectrum of the Hessian, we reveal that the Ridge corresponds to a phase boundary located adjacent to a rank-1 spectral collapse, acting as a geometric singularity where the principal curvature is massively amplified. Furthermore, we demonstrate that the learning dynamics exhibit a transient self-stabilizing behavior driven by the Edge of Stability (EoS) phenomenon. Rather than seeking flat regions, the network parameters are driven toward a state where the local curvature dynamically equilibrates near the stability limit dictated by the learning rate, allowing the optimization to survive the initial instability. We provide analytical derivations for both the rank-1 asymptotic collapse and the dynamic feedback loop governing this equilibration. These findings suggest that optimal, high-capacity memory representations are not formed in flat minima, but are dynamically sculpted at the highly curved boundaries of geometric singularities.

Physics-informed neural networks (PINNs) struggle on PDEs whose governing physics varies across the domain. We trace this to a structural property of standard coordinate networks: their neural tangent kernel (NTK) is translation-variant and lets training points of large coordinate magnitude disproportionately influence predictions elsewhere, producing long-range coupling and gradient conflict during training. We show analytically and empirically that mixture-of-experts (MoE) architectures with centered, compact-support routers yield a uniformly banded NTK whose kernel-regression weights decay exponentially with distance, localizing the learning. Building on this, we propose \emph{Latent-MoE}, which interleaves domain-aware MoE blocks within a shared backbone. Unlike FB-PINNs or X-PINNs, which rigidly partition both the domain and the parameters so that the parameters on different subdomains are updated independently, Latent-MoE is designed to preserve the localization benefit of domain-aware routing while allowing capacity to flow across regions through the shared backbone. On standard homogeneous-physics benchmarks Latent-MoE is competitive with established baselines; on benchmarks with multi-stage time-variable physics, where global models and rigid domain decompositions both fall into spurious solutions, it improves over them by more than an order of magnitude, with markedly reduced gradient conflict during training.

Neural fields (NFs) map continuous coordinates to signals such as color or density, but fast high-quality reconstruction from sparse observations remains difficult. Classical Neural Tangent Kernel (NTK) regression gives closed-form fits, yet it is fundamentally linear and cannot accumulate reusable task priors. We develop three algorithms that address these gaps. NTK-KIP learns a distilled support set of coordinates (and optional labels) so that a finite NTK can inpaint large missing regions from little observed data, yielding a compact non-linear representation instead of a raw kernel solve. MetaQuill meta-learns a shared initialization for an INR so that new scenes can be adapted by updating only a small task-specific weight offset, which provides true feature learning and a reusable prior. Finally, MetaQuill-KIP fuses both ideas: it seeds the task with a KIP-style non-linear warm start, then refines only that small offset around the meta-learned initialization. MetaQuill-KIP achieves high-PSNR reconstructions and semantically plausible inpainting under very sparse observations, while requiring only lightweight per-instance adaptation, whereas diffusion-style baselines typically depend on large pretrained generative priors and costly per-image tuning. This shows that NTK-driven neural fields can be made both non-linear and meta-learnable, narrowing the gap between analytic kernels and practical few-shot reconstruction.

Higher-order interaction components are important for signal, image, and video modeling, but explicit high-order operators often suffer from rapidly increasing parameter and computational costs. This paper presents kVNN, a learnable kernelized Volterra Neural operator for compact higher-order filtering. The motivation is to use kernelization to improve the efficiency of Volterra-type neural operators while providing a structured interpretation of their higher-order components. The proposed formulation combines the order-wise structure of Volterra filtering with learnable polynomial-kernel atoms, allowing different interaction orders to be represented by separate learnable centers and coefficients. This order-decoupled representation avoids explicit high-order tensor parameterization and can be implemented as a CNN-compatible layer. Experiments on representative vision tasks show that kVNN achieves a favorable accuracy--efficiency trade-off.

Machine learning interatomic potentials bridge the gap between quantum chemical precision and classical computational speed, enabling molecular dynamics simulations with first-principles accuracy. Their reliability is often improved through active learning, which iteratively expands the training set by identifying uncertain, out-of-distribution configurations. Existing uncertainty-quantification methods often involve a trade-off between computational cost and reliability, and generally cannot account for redundancy as an acquisition batch is assembled. Here, we introduce AdaptNTK, a single-model framework that measures uncertainty as a regularized Mahalanobis distance in empirical neural tangent kernel (NTK) feature space. With the NTK features fixed during acquisition, the uncertainty depends on the acquired configurations but not their reference labels. This allows the uncertainty to be updated recursively after each selection without retraining, reducing redundancy within an acquisition batch. On held-out rMD17 data, AdaptNTK achieves the highest mean correlations with force errors (Spearman 0.68, Pearson 0.71) and matches a three-member ensemble in error retention. In active learning experiments, AdaptNTK achieves the lowest force errors across rMD17 and Transition-1X, with particularly strong performance on transition-state configurations in Transition-1X. AdaptNTK provides a 2.6-fold speedup per Transition-1X cycle relative to the ensemble, providing efficient single-model uncertainty estimation with sequential updates for data-efficient active learning.

Financial volatility is regime dependent, yet incorporating regime information into neural networks can also destabilize training. This paper asks where such information should enter a neural cross-sectional volatility forecasting model. We study five-day realized-volatility forecasts for 1,027 U.S. equities using a rolling walk-forward evaluation framework in which information, model capacity, hyperparameter tuning, and random seeds are matched across architectures. We propose RG-ResMoE, a regime-gated residual mixture-of-experts architecture in which regime information is used only for expert routing rather than for direct forecasting. The base predictor models volatility from stock features, while a gating network uses regime state variables to route residual corrections. RG-ResMoE consistently outperforms a capacity-matched MLP in both forecasting accuracy and training stability in the main U.S. study. Similar gains are observed on an independent Japanese panel. The integration pathway is decisive: appending the same regime variables directly to the forecasting input degrades both predictive performance and training stability, whereas restricting them to the routing gate improves accuracy and Value-at-Risk calibration. Hard routing consistently underperforms soft routing. The results suggest that, in compact neural volatility forecasting models, the primary value of mixture-of-experts models lies less in increasing model capacity than in controlling how nonstationary regime information influences prediction.

Developing nonlinear models that are both expressive and computationally efficient remains a challenge in machine learning and nonlinear system identification. Tensor network kernel machines (TNKM) address this challenge by combining nonlinear feature representations with compact low-rank tensor-network parameterizations. However, practical and extensible software frameworks for developing TNKM models remain limited. In this work, we introduce "tnkm", an open-source Python library for constructing and training TNKM models using JAX. The library provides a unified interface for combining different feature maps, tensor-network architectures, and optimization strategies, including alternating least squares and gradient-based methods. We demonstrate the capabilities of "tnkm" on nonlinear benchmark problems, showing that the implemented models achieve competitive prediction accuracy while retaining compact parameterizations and efficient training. The proposed framework facilitates reproducible development and application of tensor-network-based learning methods.

For $n$ unit vectors $x_1,\ldots,x_n \in \mathbb{R}^d$, we study the continuous ReLU derivative Gram matrix $H$, whose entries are obtained by averaging pairwise gated inner products over a standard Gaussian direction. Writing $Δ_\pm := \min_{i \neq j} \min\{ \|x_i-x_j\|_2, \|x_i+x_j\|_2 \}$ for their projective separation, we prove the universal dimension-free lower bound $λ_{\min}(H) = Ω( Δ_\pm/\sqrt{\log n} )$. Conversely, we construct worst-case families satisfying the matching upper bound $λ_{\min}(H) = O( Δ_\pm/\sqrt{\log n} )$, showing that this rate is tight up to universal constants.

Adversarial training can improve the robustness of predictive models to bounded perturbations, often at the cost of statistical efficiency. We study this trade-off in kernel regression over a reproducing kernel Hilbert space (RKHS). It is shown that, under squared loss, adversarial training in RKHS introduces a term involving the product of the function norm with the mean absolute value of the response noise, which we call the \textit{noise premium}. Our analysis shows that the noise premium makes the prediction error of adversarial training converge strictly more slowly than the nonparametric minimax benchmark even after balancing approximation and estimation errors. Moreover, for a fixed perturbation budget, once the budget exceeds a certain threshold, the solution to adversarial training collapses to the zero function. To mitigate these effects of the noise premium, we propose noise-debiased adversarial training. The resulting noise-debiased estimator can attain the minimax optimal rate up to a logarithmic factor for the prediction error, raises the collapse threshold, and admits an explicit bound on the increase in adversarial loss. Numerical experiments on synthetic and real data support the theoretical findings and validate the effectiveness of the proposed noise-debiased method.

Physics-informed machine learning incorporates physical principles --often expressed via differential operators-- into data-driven models. While physics-informed neural networks (PINNs) dominate empirical applications, the complexity of neural network architectures and optimization landscapes hinders the development of a corresponding learning theory. In turn, kernel methods offer an appealing alternative with closed-form solutions and analytical tractability, yet existing guarantees primarily cover the well-specified setting where the target belongs to the native Reproducing Kernel Hilbert Space (RKHS). This imposes unrealistic regularity assumptions that physical targets often fail to satisfy. In this paper, we introduce and analyze Physics-Informed Kernel methodS (PIKS). We establish the universal consistency of PIKS for linear differential constraints, proving that for universal kernels (such as Gaussian or Matérn), the estimator asymptotically learns the target while satisfying physical constraints. We further derive finite-sample bounds under suitable source conditions. Our analysis is based on extending classical operator-theoretic analysis of kernel methods to physics-informed machine learning. Numerical experiments demonstrate that PIKS can be competitive with PINNs and traditional finite element methods.

Kernel regression with tensor trains and Hadamard overparameterization (KReTTaH) is introduced as a training-data-free, interpretable, and nonparametric framework for multi-way data imputation. The imputation problem is reformulated as regression in reproducing kernel Hilbert spaces (RKHS), where the tensor regression coefficients are explicitly constrained to lie on fixed-rank tensor-train (TT) manifolds and structured via Hadamard overparameterization to promote sparsity and high representational efficiency. Rather than relying on costly cross-validation, KReTTaH jointly optimizes the TT coefficient tensors and the kernel covariance matrices within a Riemannian product-manifold framework -- the former on fixed-rank TT manifolds, the latter on the manifold of positive-definite matrices -- thereby enabling automated kernel-hyperparameter selection. Numerical tests on two challenging applications -- imputation of high-dimensional functional magnetic resonance imaging (fMRI) data and recovery of missing edge flows in dynamic graphs -- demonstrate that KReTTaH consistently outperforms state-of-the-art tensor-, Bayesian-, and neural-network-based baselines in terms of modeling accuracy.

Discovering the memory or nonlocal kernel governing an integro-differential equation (IDE) from sparse and noisy observations is an ill-posed inverse problem. Existing identification methods often rely on problem-specific analytical derivations, specialized observation requirements, or restrictive assumptions about the kernel, limiting their applicability across different classes of IDEs. In this work, we propose a differentiable-solver-based framework for discovering memory and nonlocal kernels directly from spatiotemporal observations. Within the solver, the unknown kernel is represented using a constrained Kolmogorov--Arnold Network (KAN) parameterization, with the physical constraints imposed through two different approaches: a Bernstein-polynomial-based Monotone--Convex KAN (MC-KAN), whose coefficient constraints enforce positivity, monotonic decrease, and convexity by construction, and a Chebyshev-based KAN (Cheb-KAN), in which the same properties are encouraged through soft penalty terms. After training, symbolic regression is applied to the learned kernels to obtain interpretable closed-form representations. We evaluate both methods on benchmarks spanning a one-dimensional Volterra equation, a one-dimensional viscoelastic wave partial integro-differential equation, and a two-dimensional nonlocal reaction-diffusion equation with an anisotropic coupled kernel. For the 1D problems, both methods recover the correct kernel functional form and achieve comparable solution-reconstruction accuracy. In contrast, for the sparse and noisy 2D nonlocal problem, the hard-constrained MC-KAN consistently achieves lower kernel reconstruction errors than the soft-constrained Cheb-KAN. Our results demonstrate that enforcing physically motivated shape constraints by construction provides greater robustness than soft penalties for multidimensional kernel discovery from sparse and noisy observations.

The Neural Tangent Kernel (NTK) is one powerful tool for analyzing the training dynamics of neural networks in the over-parameterized regime. Recently, the theoretical framework has been extended to physics-informed neural networks (PINNs) for solving linear PDEs, one highly popular class of neural PDE solvers. In the analysis, the positivity of the associated NTK plays a fundamental role. However, establishing the positivity of the NTK for PINNs is highly challenging, due to the presence of multiple differential operators. In this work, we propose a new theoretical framework, called Differential Neural Tangent Kernel (DNTK), for analyzing PINNs through the lens of the NTK, and establish the positivity of the infinite width DNTK for both shallow and deep neural networks for a wide class of activation functions, including RePU and smooth but non-polynomial activations, for all linear differential operators. These theoretical results lay the foundation for the analysis of gradient type algorithms for training PINNs.

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.

Accurate prediction of complex dynamical systems from noisy measurements remains a significant challenge in scientific computing. Kernel ridge regression learning strategies are often effective when applied to clean data, but have limited success with noisy data. Recent work has observed that a weak formulation can act to filter noisy data, and different learning strategies have achieved increased noise robustness with a weak-form framework. In this manuscript, we give an overview of the filtering mechanism behind the weak formulation and provide a bias-variance error decomposition. Using these insights, we combine a weak formulation with a kernel learning strategy to propose Weak-form Kernel Ridge Regression (WKRR) for learning dynamical systems. The proposed framework is simple to implement, effective for both clean and noisy data, and outperforms several baseline methods. We demonstrate the performance of WKRR on chaotic benchmark systems in up to 64 dimensions, as well as 15,000-dimensional real-world fluid data.

Kernel methods requiring matrix inversion -- particularly Least-Squares Twin Support Vector Machines (LSTSVM) -- suffer from exponential eigenvalue decay in their system matrices, producing severely ill-conditioned problems where standard Tikhonov regularization applies uniform damping regardless of eigenvector reliability. We propose Differential Spectral Damping (DSD), a regularization formula that adapts its penalty to localized eigengap structure: preserving eigenvectors with large spectral gaps (reliable per Davis-Kahan perturbation theory) while aggressively suppressing those with small gaps (directionally corrupted beyond recovery). We motivate DSD through a principled design procedure grounded in the Davis-Kahan $\sin(Θ)$ theorem, systematically deriving the requirements for a reliability-aware damping function and selecting the exponential form for its smoothness, differentiability, and natural saturation properties. Through rigorous paired testing with fairly optimized baselines (including gradient-optimized Tikhonov receiving equal optimization opportunity), we demonstrate that DSD improves LSTSVM classification accuracy by +4.8 percentage points on real-world GINA ($d=970$, Cohen's $d = 4.49$, $p < 0.0001$), +10.4 percentage points at $d=200$, and +2.6 percentage points on Madelon ($d=500$) -- all using only principled spectral initialization while Tikhonov receives grid search. For pre-image reconstruction on manifold data, DSD ties Tikhonov at high perturbation noise ($p=0.99$) but slightly underperforms at lower noise levels; both reduce naive inversion error by $66\times$. We characterize the precise operating regime ($d \geq 100$, condition number $> 10^3$) and document where simpler methods suffice, providing practitioners with clear deployment guidance.

Training dynamics is central to understanding neural networks, yet its theoretical analysis remains difficult even for simple architectures and becomes substantially more challenging for general modern architectures. In this paper, we propose a convergence framework for analyzing gradient descent (GD) dynamics under a broad family of neural network architectures and datasets beyond the neural tangent kernel (NTK) regime. The framework is formulated at the level of network blocks and covers architectures including pre-normalized multi-layer transformers. More precisely, under mild assumptions, we prove that for almost all initializations, GD with regular learning rates converges to the neighbourhood of a stationary point. This is mainly proved by establishing an iterate-dependent PL-type inequality through analyticity and measure-zero arguments, and by proving Lipschitz smoothness along the GD trajectory through polynomial generalized smoothness and a local relaxed dissipative condition. We further interpret the theorem under Xavier initialization and practical architectural scaling, showing that the learning rate scale depends on the depth and effective bottleneck dimensions rather than the largest width. Finally, we derive structural nondegeneracy implications for residual connections and function composition, and provide a generic characterization of global minimizers within our framework.

Catastrophic forgetting in continual adaptation is usually studied through parameter drift, replay, or distillation, but these views do not identify which output-space directions are vulnerable. We give a function-space account in the NTK regime: new-task training induces old-task prediction drift through the cross-task kernel, yielding a closed-form predictor for the forgetting vector before any new-task gradient step. In frozen-backbone linear-head PEFT-CL, where the model is linear in the trainable parameters, the predictor is exact up to numerical precision; for nonlinear adapters/full fine-tuning, it is a local NTK approximation. The same expression reveals that forgetting concentrates in a small number of old-task NTK eigenmodes and under frozen linear heads gives a Kronecker scaling rule for the vulnerable rank. These results clarify the relation to prior NTK-overlap theory, explain why parameter-space regularizers can miss output-space interference, and motivate a targeted spectral regularizer.

High-dimensional incomplete (HDI) tensors are widely used in traffic and climate applications, but sparse observations make accurate completion difficult. The intrinsic non-linear dynamics and non-stationary variations across distinct multi-modal fields severely hinder the efficacy of conventional linear reconstruction frameworks. Neural Tucker factorization provides an effective framework for modeling high-order interactions among tensor modes. By parameterizing underlying structural characteristics into continuous latent spaces, neural representations circumvent the rigid low-rank constraints of classical algebra. However, its performance can still be affected by implementation-level choices, especially parameter initialization and the bias configuration of the final output mapping. Suboptimal initializations frequently lead to variance explosion across the cubically expanded interaction spaces, driving the subsequent non-linear activation boundaries into severe gradient saturation zones, while the omission of a dedicated translation parameter forces interaction weights to implicitly absorb global statistical deviations. This paper proposes a simple yet effective neural Tucker factorization model with Kaiming initialization and bias correction (KaBiN) for HDI tensor completion. The proposed model utilizes Kaiming uniform initialization for the embedding and Tucker linear parameters, and adopts a simple bias correction in output mapping. By elegantly decoupling global mean shifts from local structural representations, the framework provides a highly stable and well-conditioned optimization landscape. Experiments on three real-world HDI tensor datasets show that KaBiN achieves better performance than the original NeuTucF, while introducing minimal computational overhead.

Convergence-rate analysis for classifiers is often conducted under either Tsybakov margin or Massart margin. The former is a relatively weak condition that typically yields polynomial rates, while the latter is substantially stronger but can guarantee exponential rates. In this paper, we introduce a new condition, called Boltzmann margin, that bridges the gap between these two regimes. It is weaker than Massart margin, generally stronger than Tsybakov margin, and can imply many of their properties under suitable conditions. We apply Boltzmann margin to the analysis of kNN classifiers and establish the first near-exponential convergence rates for kNN classification. We also present extensions of the main results and provide numerical evidence supporting the main theoretical implications.

Continual training of deep neural networks under non-stationarity often leads to a progressive loss of plasticity, eventually limiting further learning. We relate plasticity to the empirical Neural Tangent Kernel, and identify dynamical isometry (the condition that layer-wise Jacobian singular values remain close to one) as a key mechanism for preserving plasticity in continual learning. We revisit a class of networks that are almost-everywhere isometric while remaining universal Lipschitz function approximators, demonstrating that near-dynamical isometry is compatible with expressive nonlinear representations. For general architectures, we propose an efficient isometry-promoting regularization scheme and identify a novel mechanism by which it can reactivate dormant ReLU units. Building on this, we introduce AdamO, an Adam-style adaptive optimizer that decouples isometry regularization from gradient updates, analogous to AdamW. We further reinterpret prior plasticity-preserving approaches through the lens of dynamical isometry, showing that they target only a partial measure of isometry. Across supervised and reinforcement-learning continual-learning benchmarks designed to induce plasticity loss, our methods consistently match or outperform existing approaches.

Averaging a neural network over its random parameters and marginalizing a Gaussian sector are the same operation, the Schur complement of the eliminated block, and when that block is closed it returns a covariance and its inverse. That is all a network ensemble produces, the closed case. The open case is missing, and nuclear reaction theory has it worked out. Projecting a scattering problem onto a chosen set of channels, with the rest carrying probability irreversibly to a continuum, leaves a non-Hermitian effective generator that conserves and itemizes exactly what it loses: the nuclear optical model and its generalized optical theorem. I set the two cases side by side using only the moments of a distribution, the algebra of Gaussians, and block inversion, no field theory, and give the closed-case dictionary in full: the neural tangent kernel is the Fisher sensitivity kernel, the infinite-width Gaussian limit is the Gaussian-process emulator, and the lazy-to-feature transition is the validity boundary of a reduced-basis emulator. I then test the open export on a truncated attention map, a token-level transfer operator, and a sparse expert router, and report a mostly negative result. The conserved flux ledger ports wherever openness is genuinely present, but its distinctive content is absent, an artifact of the chosen partition, or pinned near a floor by the training objective, and the operationally useful uncertainty turns out to be epistemic, living in the closed half of the correspondence, not the open one. The negative has a structural reason this note makes precise: the open case needs an eliminated sector with a continuous spectrum and wave-like, not relaxational, dynamics, which mainstream learning's finite or dissipative objects do not supply. This is a note, not a result; its main finding is that negative one, and its value is the map that locates it.

We study the generalization of ridge-regularized nonlinear least-squares models via on-average algorithmic stability, deriving error bounds for local minimizers in terms of a data-dependent effective dimension that reflects the geometry of the gradient model at the trained parameters, through the empirical Jacobian Gram matrix and a residual-curvature term. In the linear case, where the curvature term vanishes, this recovers the classical effective dimension of the Jacobian kernel covariance, but evaluated at the trained model rather than at initialization as is typical in neural tangent kernel analyses. We further bound this effective dimension via covering complexity of the gradient features, leading to guarantees that depend on learned geometry rather than parameter count. In particular, for manifold-supported data and piecewise Lipschitz Jacobians, the bounds scale with intrinsic dimension, while for one-hidden-layer ReLU networks, the mechanism can be made explicit through counts of activation-stable regions. Experiments on synthetic manifolds, clustered distributions, and benchmark datasets illustrate trained-Jacobian compression, the tightness of the residual-curvature linearization, and agreement between the stability bound and observed generalization gaps. A key feature of our bounds is the simplicity of their derivation, which follows from first principles using the Brascamp-Lieb inequality under strongly log-concave noise.

Understanding the generalization performance of over-parameterized neural networks has become a central topic in deep learning theory. While recent advances, particularly works under the Neural Tangent Kernel (NTK) regime, have shed light on the behavior of shallow architectures, the statistical generalization properties of deep neural networks (DNNs), especially in regression tasks, remain far less understood. In this paper, we make significant progress toward closing this gap by providing a comprehensive generalization analysis of DNNs trained using gradient-based methods. First, we establish, for the first time, a crucial connection between the learning dynamics of a DNN with smooth activation functions trained via gradient-based methods and those of kernel methods, showing that gradient-based methods on over-parameterized DNNs can fully inherit the favorable learning dynamics of their kernel counterparts. Building on this connection and the well-established optimality of kernel methods, we derive the first known minimax-optimal rates for the excess population risk of both gradient descent (GD) and stochastic gradient descent (SGD), under the assumption that network width scales polynomially with the sample size. Our results demonstrate that, with sufficient width, DNNs trained by GD or SGD can achieve generalization performance comparable to kernel-based methods.

Recent progress has been made in understanding the statistical generalization performance of gradient descent methods for overparameterized neural networks within the neural tangent kernel (NTK) regime. However, most of the existing work on regression problems is limited to shallow network architectures, leaving a notable gap in the theory of deep neural networks. This paper addresses this gap by presenting a comprehensive generalization analysis for deep ReLU networks trained using gradient descent (GD) and stochastic gradient descent (SGD). Specifically, we establish the first known minimax-optimal rates of excess population risk for both GD and SGD with deep ReLU networks, under the assumption that the network width scales polynomially with respect to the network depth and training sample size. Our results demonstrate that with sufficient width, gradient descent methods for deep ReLU networks can achieve optimal generalization rates on par with kernel methods.

TorchKM is an open-source library for kernel machines, including support vector machines, kernel logistic regression, and kernel quantile regression, with GPU acceleration. The library features a scikit-learn-style API and is designed to exploit GPU-friendly linear algebra, accelerating the full training and model-selection pipeline through intelligent reuse of matrix operations. Benchmarks show competitive predictive performance with substantial speedups over standard baselines. The efficiency and programmable design also make TorchKM a kernel-learning component for AI-driven workflows. Code and documentation are available at https://github.com/YikaiZhang95/torchkm, and the package can be easily installed via PyPI.

In this paper, we study the finite-time behavior of the TD(0) temporal-difference method with linear function approximation (LFA). We consider on-policy independent and identically distributed (i.i.d.) samples, a constant learning step, and the Polyak-Juditsky averaging method. We establish a new convergence rate, for the Mean-Square Error (MSE) on the approximated function, that is (i) fast in the sense that it admits an optimal dependency in the number of iterations k (i.e., of order 1/k), (ii) robust to ill-conditioning: it only depends on an initial error and modelindependent constants and (iii) sharp up to a multiplicative constant lower than 11. In particular, it does not depend on the smallest eigenvalue of the uncentered covariance matrix of the linear parametrization, unlike all pre-existing O(1/k) rates in the TD(0) literature. We also introduce PCTD(0), a variant of TD(0), which benefits from better convergence properties under an additional assumption of strong mixing on the Markov Chain.

Modern Transformer architectures frequently employ normalization mechanisms such as RMSNorm and Query-Key Normalization, making parts of the model approximately scale-invariant with respect to weight magnitudes. In this regime, standard Frobenius-norm weight decay acts purely along the radial direction of the weight space and cannot directly simplify the function represented by the normalized layer. We study grokking in small algorithmic tasks through this lens and propose \emph{Low-Rank Decay} (LRD), a nuclear-norm-like spectral regularizer whose subgradient -- the polar factor $UV^\top$ -- retains a tangential component even in the scale-invariant setting. This distinction has a concrete dynamical consequence: after the model memorizes the training set and task gradients vanish, L2 decay can no longer reshape the weight spectrum, whereas LRD continues to compress singular values in an $\ell_1$-like fashion. On modular arithmetic tasks, we find that LRD induces rapid effective-rank collapse in Query/Key matrices and expands the data-fraction boundary at which delayed generalization (grokking) occurs. We further provide a spectral-geometric interpretation through the ``needle-to-fan'' expansion of the nuclear-norm subdifferential near low-rank strata.

Deep learning weather models now match numerical weather prediction accuracy while running orders of magnitude faster, but produce deterministic forecasts without uncertainty estimates, a critical gap for high-stakes decisions during extreme weather events. This paper proposes Neural Tangent Kernel-based uncertainty quantification (NTK-UQ) using last-layer empirical features. Theoretical analysis predicts that UQ quality is architecture-dependent through two mechanisms. First, a variance collapse mechanism explains when UQ fails: when the eigenvalue truncation rank approaches the effective rank of the feature space, the GP correction term consumes nearly all prior variance, destroying discrimination between tropical cyclones and routine conditions; architectures with concentrated spectra (spectral operators) require aggressive truncation ($k \leq 10$), while attention-based models tolerate full-rank computation. Second, decomposition performance depends on the non-Gaussian, heavy-tailed structure of extreme weather: Independent Component Analysis exploits higher-order statistics (kurtosis, negentropy) to isolate heavy-tailed extreme-event features, achieving higher discrimination than singular value decomposition, which captures only second-order variance. A data-driven selection rule chooses ICA or SVD from the feature eigenspectrum concentration ratio, correctly prescribing the superior decomposition for all four evaluated architectures. Compared to split conformal prediction (the natural post-hoc baseline), NTK-UQ achieves 31--37% sharper prediction intervals at 90% coverage, and uniquely produces \emph{adaptive} intervals that scale with extreme event severity, which conformal prediction cannot achieve by construction. The framework requires no retraining; inference-time uncertainty requires only a single matrix-vector product per sample.

Existing evaluations of neural operators and in-context operator learning rely primarily on prediction error, but accurate output prediction does not guarantee the correct local dynamical structure. A model may match solutions while exhibiting incorrect sensitivities, distorted frequency response, spurious mode coupling, or unstable tangent behavior. We introduce a Jacobian-based spectral audit for in-context operator learning. For a fixed prompt, we differentiate the network output with respect to the query function and view the resulting Jacobian as a learned tangent operator. Projecting it onto Fourier modes, we obtain a local spectral characterization of the inferred operator, including frequency-dependent gains, phase structure, and cross-mode coupling. The audit complements standard prediction metrics by testing whether the model reproduces local mechanisms of the underlying PDE operator rather than only outputs. Across benchmarks, the audit reveals distinct operator-level phenomena, including phase transport, viscosity-dependent damping, nonlinear mode coupling, and reaction--diffusion stability structure. It also detects failures partially hidden by prediction-error metrics, including high-frequency degradation, incorrect phase recovery, and prompt--operator inconsistencies. Corrupted or internally inconsistent prompts lead to degraded tangent-operator structure even when pointwise predictions remain partially accurate. Our results suggest that prediction accuracy and local operator fidelity are distinct properties of learned neural operators. Our framework also provides a diagnostic for stability, sensitivity, and operator consistency.

Neural scaling laws describe predictable power-law relationships between model size, dataset size, compute, and performance. While these laws guide the development of modern foundation models, the mechanisms underpinning them remain poorly understood, in part due to the absence of scalable analysis tools. To close this gap, we introduce "spectral position": a scalable measure of which eigenvalues of the empirical neural tangent kernel (eNTK) currently drive loss reduction. Applying this measure to scaling experiments, we find that spectral position decreases throughout training: learning shifts from dominant eigenmodes into the spectral tail. Larger models reach further into the tail than smaller models, revealing a size-dependent capacity we call "spectral reach". This suggests why larger models achieve lower losses: they sustain learning on weak spectral signals inaccessible to smaller models. We further identify feature learning as a key enabler of spectral reach. It adaptively amplifies gradient magnitudes as learning advances, sustaining progress where frozen representations stall. This points to concrete interventions through architecture and optimizer design.

Recent work in random matrix theory (RMT) has developed the notion of deterministic equivalents: typically linear surrogate models that approximate the spectral behavior of large nonlinear random matrices, such as nonlinear feature maps in neural networks (NNs). Such equivalents make theoretical predictions tractable by reducing a complex model to a simpler one with properties that fall under the umbrella of classical RMT tools. However, this leaves open the question of whether this idealized linear equivalence remains meaningful for classification of high-dimensional nonlinearly separable data. Motivated by this, we consider the conjugate kernel (CK), which is the nonlinear feature map of a one-layer feedforward NN, under a canonical nonlinearly separable dataset for the XOR problem; and we use the study of informative outlier eigenvalues in the CK and whether their corresponding eigenvectors asymptotically align with XOR labels as a proxy for nonlinear learnability. We develop a robust quadratic equivalent of the CK matrix that enables a precise analysis of emergent informative spikes, as one modifies various knobs common in ML practice: sample complexity, signal-to-noise ratio (SNR), nonlinear activation choice, and pretrained features. We identify regimes in which these knobs move the CK beyond the linear equivalent and produce BBP-type transitions to label-aligned outlier eigenspaces. Our analysis helps bring deterministic-equivalence tools from RMT to bear on problems of practical relevance in ML.

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.

Neural operators have achieved significant success in modern scientific computing due to their flexibility and strong generalization capabilities. Existing models, however, primarily rely on first-order kernel integral approximations, which severely limit their expressivity. To address this, we propose the Infinite-order Kernel Neural Operator (IKNO), which constructs neural operators via infinite-order kernel integrals and admits an elegant closed-form finite approximation. We develop two complementary infinite-order neural operator constructions: IKNO-Vanilla, which applies the full-kernel resolvent on the product grid via Kronecker eigendecomposition, and IKNO-TP, an alternative tensor-product operator that composes per-axis resolvents. Furthermore, we develop fast computation schemes for both variants of IKNO, which achieve outstanding global information aggregation while maintaining high computational efficiency. Empirically, we evaluate our IKNO on both time-dependent and time-independent benchmarks with arbitrary input shapes, including large-scale industrial datasets. Extensive experiments demonstrate that the IKNO method consistently achieves the SOTA accuracy with significant improvements on nearly all benchmark datasets while maintaining scalability to very large point clouds.

Gated Linear Units (GLU) and their variants are widely adopted in modern open-source large language model architectures and consistently outperform their non-gated counterparts, yet the underlying reasons for this advantage remain unclear. In this work, we study GLU by analyzing two-layer networks in the neural tangent kernel (NTK) regime. Our analysis reveals that the GLU structure reshapes the NTK spectrum, leading to a smaller condition number and a more compact eigenvalue distribution. Building on this finding, we further analyze the resulting training dynamics and show how the reshaped spectrum leads to faster convergence of GLU models, including a characteristic loss-crossing phenomenon observed between GLU and non-GLU models. Finally, we empirically observe that GLU has limited impact in reducing the generalization gap on various models, including ViT and GPT-2, suggesting that its primary benefit lies in accelerating optimization rather than reducing the generalization gap. The code is available at: https://github.com/Zemdalk/GLU-NTK.

Tensor-valued data arise naturally in neuroimaging, genomics, climate science, and spatiotemporal networks, where multilinear dependencies across modes carry information that is destroyed under vectorization. Existing approaches either impose a single low-rank structure, which can miss localized signal, or treat the tensor as a long vector, which discards its multiway geometry. We propose a Dual-Channel Tensor Neural Network (DC-TNN) that decomposes each tensor input into a low-rank core and a sparse refinement, and processes the two components through coupled neural channels. The framework is structure-agnostic and accommodates CP, Tucker, and tensor-train cores within a single architecture. For estimation, we establish non-asymptotic risk bounds for the DC-TNN estimator that decompose into network approximation, core estimation, and refinement-selection terms, and show that the effective dimension is determined jointly by the core rank and refinement sparsity rather than by the ambient tensor size. For inference, we develop a structure-aware conformal ROC procedure that calibrates within the core-refinement latent space and produces ROC and AUC confidence bands with finite-sample, distribution-free coverage. Building on this, we propose a conformal structure selector that, to our knowledge, is the first distribution-free procedure for choosing among candidate tensor decompositions with finite-sample validity. Simulations and an analysis of a protein dataset demonstrate competitive predictive accuracy, reliable uncertainty quantification, and consistent recovery of the tensor structure.

In wide neural networks, the Neural Tangent Kernel (NTK) remains approximately constant during training, providing a powerful theoretical tool for studying training dynamics, generalization, and connections to kernel methods. However, this theory is largely restricted to regression losses. It was previously thought that training on a classification loss, or more generally losses involving nonlinear output transformations, breaks this property, leading to divergent logits and a breakdown of the linearization. In this paper, we extend NTK theory to classification by identifying conditions under which wide neural networks remain in the lazy training regime. We show that parameter-space regularization ensures a constant NTK during training for cross-entropy loss, while in the absence of regularization the regime is recovered when targets are non-degenerate, i.e. when all classes have strictly positive probability. Under these conditions, training is well-approximated by the linearized model, yielding an explicit characterization of the solution in terms of the NTK. We further analyze the distribution of trained predictors induced by random initialization and relate this notion of model uncertainty to Bayesian methods.

Physics-informed neural networks (PINNs) are powerful surrogates for differential equations but are notoriously difficult to train due to spectral bias, stiffness, and poor accuracy on high-frequency or multiscale solutions. Adversarial training based on generative adversarial networks (GANs) has recently gained surprisingly strong empirical results in improving training, but the underlying mechanisms remain elusive. To this end, we propose a new analysis framework for adversarially trained PINNs, based on the key observation of how the discriminator in GANs can influence the training dynamics of PINNs. The framework first provides a much needed theoretical grounding to why and when adversarial training is effective in PINNs, then presents a unified analysis of GANs variants in such training, and finally leads to a new, practical, efficient training algorithm for PINNs. Empirical results demonstrate that our method can significantly reduce the pathology of PINNs training, thereby providing better models with superior performances, often several magnitudes more accurate than alternative methods.

Generating adversarial examples at scale is a core primitive for robustness evaluation, adversarial training, and red-teaming, yet even "fast" attacks such as FGSM remain throughput-limited by the cost of a backward pass. We introduce a family of attacks that eliminates the backward pass by predicting the input gradient from forward-pass hidden states via a lightweight linear regression. The approach is motivated by a kernel view of neural networks and is exact in the Neural Tangent Kernel regime, while remaining effective for practical finite-width models. Empirically, our methods recover much of FGSM's attack performance while using only a small fraction of the time, corresponding to a $532\%$ increase in throughput. These results suggest gradient prediction as a simple and general route to significantly faster adversarial generation under realistic wall-clock constraints.

Recent studies have reported $\textit{saturation effects}$ and $\textit{multiple descent behavior}$ in large dimensional kernel ridge regression (KRR). However, these findings are predominantly derived under restrictive settings, such as inner product kernels on sphere or strong eigenfunction assumptions like hypercontractivity. Whether such behaviors hold for other kernels remains an open question. In this paper, we establish a broad, new family of large dimensional kernels and derive the corresponding convergence rates of the generalization error. As a result, we recover key phenomena previously associated with inner product kernels on sphere, including: $i)$ the $\textit{minimax optimality}$ when the source condition $s\le 1$; $ii)$ the $\textit{saturation effect}$ when $s>1$; $iii)$ a $\textit{periodic plateau phenomenon}$ in the convergence rate and a $\textit {multiple-descent behavior}$ with respect to the sample size $n$.

This paper investigates the critical role of eigenalignments between the kernel matrix and learning targets in achieving robust generalization in learning problems. We establish a direct connection between generalization performance in kernel methods and the estimation of eigenvectors and eigenvalues of matrices, offering a more intuitive understanding compared to prior work with minimal assumptions. We also show that, since the prediction task in KRR is essentially the weighted sum of eigenvectors/singular vectors, by analyzing how much error can be caused by perturbations to the kernel matrix, we can then derive a bound on this generalization error using the estimation stability of matrix eigenvalues and eigenvectors. Compared with previous work, our analysis concentrates on finite-sample settings and on the generalization error arising from having a suboptimal finite training set. Our findings reveal that in kernel methods, as long as the kernel is of high rank, the near-zero reconstruction error can be trivially obtained, implying that the reconstruction error will have limited predictive power for generalization. Finally, we establish a generalization bound from an eigenvalues/eigenvectors estimation perspective, showing that strong generalization requires increasing eigenvector alignment, eigenvalue magnitude, or gaps between consecutive eigenvalues.

Full-waveform inversion (FWI) estimates unknown parameters in the wave equation from limited boundary measurements. Recent advances in neural reparameterized FWI (NeurFWI) demonstrate that representing the parameters using a neural network can reduce the reliance on the high-quality initial model and wavefield data, at the cost of slow high-resolution convergence. However, its underlying theoretical mechanism remains unclear. In this study, we establish the neural sensitivity kernel (NSK) and the wave tangent kernel (WTK) to analyze their convergence behavior from both model and data domains. These theoretical frameworks show that the neural tangent kernel (NTK) induced by neural representation adaptively modulates the original sensitivity and wave tangent kernels. This modulation leads to several key outcomes, i.e., the spectral filtering effect, the gradient wavenumber modulation, and the wave frequency bias, connecting the convergence behavior of NeurFWI with the eigen-structures of NSK and WTK. Building on these insights, we propose several enhanced NeurFWI methods with tailored eigen-structures in NSK and WTK to improve inversion performances and efficiency. We numerically validate these theoretical claims and the proposed methods in seismic exploration, and firstly extend their application to medical imaging.

Active learning for machine-learning interatomic potentials (MLIPs) must address several challenges to be practical: scaling to large candidate pools, leveraging energy-force supervision, and maintaining robustness when candidate pools are biased relative to the target distribution. In this work, we jointly address these challenges. We first introduce a linearly scaling acquisition framework based on chunked feature-space posterior-variance shortlisting. By avoiding materialisation of the candidate and train set kernels, this approach enables screening of ~200k structures within hours and applies broadly to acquisition strategies that score candidates based on molecular similarity metrics. We then extend the Neural Tangent Kernel (NTK) to a force-aware setting via mixed parameter-coordinate derivatives, yielding a force NTK and a joint energy-force NTK that provide natural similarity metrics for vector-field prediction. We demonstrate the effectiveness of the joint energy-force NTK on the OC20 dataset, where force-aware acquisition is crucial: it achieves the lowest energy and force MAE and RMSE across all metrics and distribution splits. Across T1x, PMechDB, and RGD benchmarks, our force NTK methods remain competitive with established baselines while being significantly more efficient than committee-based approaches. Under a controlled candidate-pool shift case study on T1x, acquisition based on pretrained MLIP embeddings and NTKs remains robust, whereas committee-based methods exhibit higher variance. Overall, these results show that a single pretrained MLIP can enable scalable, force-aware, and distribution-robust active learning for foundation-model fine-tuning.

There is recently a serious issue that Deep Neural Networks (DNNs) training uses more and more unauthorized data. A clean-label generalization attack, one type of data poisoning attacks, has been suggested to address this issue. The Neural Tangent Generalization Attack (NTGA) is considered as the first well-known clean-label generalization attack under the black-box settings, which provided an unprecedented step in data protection approaches. In this paper, we conduct a comprehensive analysis on the state-of-the-art of NTGA; to the best of our knowledge, this is the first thorough analysis regarding NTGA. First, we provide a classification of attacks against DNNs with their explanations and relations to NTGA. Then, this paper presents a taxonomy of black-box attacks and demonstrate that the NTGA is the first clean-label generalization attack under the black-box setting. We further analyze the existing studies of NTGA and give a comprehensive comparisons of their findings by conducting our own experiments to verify these findings. Moreover, our extensive experiments show that NTGA is vulnerable to adversarial training and image transformations, and applying linear separability to NTGA-generated images makes them more susceptible to such vulnerablities. We present the pros and cons of NTGA and suggest ways to improve NTGA robustness based on our analysis. Our further experiments indicate that several recently proposed clean-label generalization attacks outperform NTGA on data protection. Finally, we unveil the necessity of further research with future research insights on NTGA.

Rich feature learning in tasks that unfold over time often requires the model to pass through bifurcations, constituting qualitative changes in the underlying model dynamics. We develop a local theory of gradient descent near these transitions through the empirical state-space neural tangent kernel (sNTK). Our central finding is that bifurcations both dominate and simplify learning dynamics: near bifurcations, we can reduce sNTK to a rank-one operator corresponding to learning in a classical normal form system, providing an analytically tractable description of the local learning geometry, even for high-dimensional recurrent systems. Concretely, we give a procedure for decomposing sNTK into bifurcation-relevant and residual channels, showing that near commonly codimension-1 bifurcations the relevant channel is a rank-one operator that is highly amplified. This amplification causes the bifurcation channel to dominate the full sNTK. Thus, bifurcations locally warp the learning landscape, funneling gradient descent into a few critical dynamical directions and making the nearby kernel and loss geometry predictable from classical normal forms. We illustrate this in a student-teacher recurrent neural network: the first learned bifurcation coincides with a sharp collapse in sNTK effective rank and the emergence of a dominant parameter direction whose restricted sNTK closely matches the landscape predicted by the scalar pitchfork normal form. Finally, we show that low-rank natural gradient methods resolve the resulting learning instability near bifurcations with very little overhead over SGD.

We establish the first population risk bounds for Kolmogorov-Arnold Networks (KANs) trained by mini-batch SGD with gradient clipping, covering non-private SGD as well as differentially private SGD (DP-SGD) with Gaussian perturbations that interpolate between independent and temporally correlated noise. This setting is substantially closer to practice than prior KAN theory along two axes: training is by mini-batch SGD, the standard recipe for modern networks, rather than full-batch gradient descent (GD); and correlated-noise mechanisms have empirically shown a more favorable privacy-utility tradeoff than independent-noise mechanisms. Our results cover the corresponding full-batch GD and independent-noise DP-GD results for KANs by Wang et al. (2026), while yielding sharper fixed-second-layer specializations. The technical core is a new analysis route for correlated-noise DP training in the non-convex regime. Temporal dependence breaks the conditional-centering structure underlying standard one-step SGD arguments, and the projection step obstructs the exact cancellation structure of correlated perturbations. We address these difficulties through an auxiliary unprojected dynamics, a shifted iterate that absorbs the current noise perturbation, and a high-probability bootstrap certifying projection inactivity. Combining this optimization analysis with a stability-based generalization argument yields the stated population risk bounds. To the best of our knowledge, this is the first optimization and population risk analysis of a correlated-noise mechanism for DP training beyond convex learning, in particular for neural networks.

Variational Quantum Algorithms (VQAs) are a leading approach to exploiting near-term quantum hardware, leveraging parameterized quantum circuits and classical optimization to achieve advantage. Despite their promise, the practical deployment of VQAs is challenged by the difficulty of designing quantum circuit architectures that balance expressivity, trainability, and hardware constraints. Existing evolutionary-based quantum neural architecture search methods address these challenges but suffer from high computational costs due to repeated training of candidate circuits. In this work, we identify a setting in which the Gram matrix of the Quantum Neural Tangent Kernel converges. Building on this observation, we design a zero-shot surrogate model to estimate candidate performance without full training, significantly accelerating the architecture search process. Using this surrogate, we propose MZeQAS, a Monte Carlo Tree Search (MCTS)-based Zero-Shot Quantum Neural Architecture Search framework for VQAs. By integrating proxy-based performance estimation with MCTS exploration, MZeQAS efficiently discovers high-performing architectures. Experimental results demonstrate that MZeQAS outperforms existing approaches in terms of both search efficiency and solution quality, providing a scalable and effective framework for advancing VQA deployment on noisy intermediate-scale quantum devices.

Catastrophic forgetting remains the central obstacle in continual learning (CL): parameters shared across tasks interfere with one another, and existing regularization methods such as EWC and SI apply uniform penalties without awareness of which input region a parameter serves. We propose KAN-CL, a continual learning framework that exploits the compact-support spline parameterization of Kolmogorov-Arnold Networks (KANs) to perform importance-weighted anchoring at per-knot granularity. Deployed as a classification head on a convolutional backbone with standard EWC regularization on the backbone (bbEWC) KAN-CL achieves forgetting reductions of 88% and 93% over a head-only KAN baseline on Split-CIFAR-10/5T and Split-CIFAR-100/10T respectively, while matching or exceeding the accuracy of all baselines on both benchmarks. We further provide a Neural Tangent Kernel (NTK) analysis showing that KAN's spline locality induces a structural rank deficit in the cross-task NTK, yielding a forgetting bound that holds even in the feature-learning regime. These results establish that combining an architecture with natural parameter locality (KAN head) with a complementary backbone regularizer (bbEWC) yields a compositional and principled approach to catastrophic forgetting.

We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix derived from an implied RKHS, from which we establish consistency of the GP posterior. We further analyse the spectral properties of the induced kernels and introduce product feature-map kernels to address oversmoothing. This simple yet powerful approach enables fast, scalable, and accurate exact GP inference with minimal upfront work. The flexibility of kernel design supports seamless application to both regression and classification tasks across diverse data modalities, including tabular inputs and structured domains such as images. On benchmark datasets, this approach surpasses pre-existing methods in terms of accuracy and training and prediction efficiency.

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.

A convergence analysis is developed for the regularized Newton method for training neural networks (NNs) in the overparameterized limit. As the number of hidden units tends to infinity, the NN training dynamics converge in probability to the solution of a deterministic limit equation involving a ``Newton neural tangent kernel'' (NNTK). Explicit rates characterizing this convergence are provided and, in the infinite-width limit, we prove that the NN converges exponentially fast to the target data (i.e., a global minimizer with zero loss). We show that this convergence is uniform across the frequency spectrum, addressing the spectral bias inherent in gradient descent. The eigenvalues of the NTK for gradient descent accumulate at zero, leading to slow convergence for target data with high-frequency components. In contrast, the NNTK has uniformly lower bounded eigenvalues if the regularization parameter is selected appropriately, allowing Newton's method to converge more quickly for data with high-frequency components. Mathematical challenges that need to be addressed in our analysis include the implicit parameter update of the Newton method with a potentially indefinite Hessian matrix and the fact that the dimension of this linear system of equations tends to infinity as the NN width grows. This complicates deriving the training dynamics in the overparameterized limit as well as proving the convergence of the finite-width dynamics thereto. The analysis identifies a scaling formula for selecting the regularization parameter, which we show can vanish at a suitable rate as the number of hidden units becomes larger. We prove that, for sufficiently large numbers of hidden units, the regularized Hessian remains positive definite during training and the Newton updates for individual NN parameters converge to zero, showing that the model behaves as a linearization around the initialization.

A recent landscape analysis of LoRA fine-tuning in the neural tangent kernel regime establishes a sufficient condition $r(r+1)/2 > KN$ on the LoRA rank $r$ for the absence of spurious local minima under squared-error loss, prescribing $r \geq 12$ on canonical few-shot RoBERTa setups. The condition is stated for general output dimension $K$, so its sharpness in any particular regime, and its practical implication for the cross-entropy loss actually used in fine-tuning, are open. We give three results that together reduce the prescribed rank to $r = 1$ for binary classification in this regime. First, replacing the symmetric Sard-form count with the non-symmetric LoRA manifold dimension yields a strictly weaker capacity requirement, $r(m+n) - r^2 > C^* \cdot KN$ with $C^* \approx 1.35$ under Gaussian-iid features, satisfied at $r = 1$ on canonical setups. Second, in the cross-entropy setting the Polyak--Łojasiewicz inequality removes the rank threshold entirely. Third, a Rademacher-complexity bound predicts rank-one variance optimality precisely when the bias term is saturated, which is the case for binary classification but not for $K > 2$. Empirically, across four GLUE-style binary tasks, three encoder architectures, and at scale on RoBERTa-large, rank one is competitive with the existing prescription $r = 12$; on multi-class MNLI the optimal rank shifts above one, also as predicted. The binary-regime guarantees are conditional on standard NTK assumptions; the multi-class extension is left to future work.

Classical optimization theory establishes that zeroth-order (ZO) algorithms suffer from a dimension-dependent slowdown, with convergence rates typically scaling with the model dimension compared to first-order methods. However, in contrast to these theoretical expectations, a growing body of recent work demonstrates the successful application of ZO methods to fine-tuning Large Language Models (LLMs) with billions of parameters. To explain this paradox, we derive the one-step learning dynamics of ZO SGD, where the empirical Neural Tangent Kernel (eNTK) naturally emerges as the key term governing the learning behavior. Inspection of the eNTK produced by ZO SGD reveals that each element corresponds to the inner product of neural tangent vectors projected onto a random low-dimensional subspace. Thus, by invoking the Johnson-Lindenstrauss Lemma, our analysis shows that the fidelity of the ZO eNTK is governed primarily by the number of perturbations. Crucially, the approximation error depends on the model output size rather than the massive parameter dimension. This dimension-free property provides a theoretical justification for the scalability of ZO methods to LLMs finetuning tasks. We believe that this kernel-based framework offers a novel perspective for understanding ZO methods within the context of learning dynamics.

We introduce the Yat kernel $k_{b,\varepsilon}(\mathbf{w},\mathbf{x})=\frac{(\mathbf{w}^\top\mathbf{x}+b)^2}{\|\mathbf{x}-\mathbf{w}\|^2+\varepsilon},\qquad b\ge 0,\ \varepsilon>0,$ a rational hidden-unit primitive whose units are Mercer sections over a shared input/weight space. For $b\ge 0$ the kernel is PSD; for $b>0$ it dominates a scaled inverse-multiquadric (IMQ) in the Loewner order, yielding fixed-kernel universality, characteristicness, and strict positive definiteness on every compact domain. The polynomial numerator opens nonradial alignment channels absent from finite IMQ expansions, witnessed by the directional far-field trace $T_\infty g_\varepsilon(\cdot;\mathbf{w},b)(\mathbf{u})=(\mathbf{u}^\top\mathbf{w})^2$. Algebraically, a second finite difference in the bias recovers any IMQ atom from three positive-bias Yat atoms exactly, sharp at three atoms in every dimension at exact pointwise equality. A trained shared-$(b,\varepsilon)$ Yat layer is therefore a finite learned-center expansion in a fixed universal characteristic RKHS, with closed-form norm $\boldsymbolα^\top\mathbf{K}\boldsymbolα$ and explicit diagonal $(\|\mathbf{x}\|^2+b)^2/\varepsilon$ driving a Rademacher generalization bound.

This paper develops the angular and static-channel component of Geometric and Spectral Alignment for residual Jacobian chains. Starting from Cartan-coordinate rigidity and fitted effective-rank windows, we study how dominant singular subspaces are transported across adjacent layers and how the resulting finite matrices can be displayed in physical channel coordinates. The main results are deterministic, margin-verified results. We bound the error between full interface transport and its dominant-window truncation, add fitted-tail errors so that empirical spectra can be certified against the Gibbs--Cartan tail model, and distinguish source-mode incidence from fully physical input-output channel incidence. Given row groups and active supports, the Physical Alignment Matrix decomposes orthogonally as core plus overlap plus noise. Active-column gaps, pairwise overlap margins, and noise bounds combine into a static certificate radius under which the full transport and the truncated transport induce the same active supports, pairwise incidence graph, SRS sets, hub columns, and core/overlap/noise masks. The finer SC/SA/ST labels of the Invariant Channel Mapping require additional row-energy and profile-correlation margins, stated as explicit perturbation tests. The empirical section reports the matrices and block-energy heatmaps that measure these certificate quantities across CNNs, language models, and vision/diffusion backbones. The figures are interpreted as finite-dimensional measurements; complete membership in the Physical GSA certificate domain requires checking the numerical margin protocol stated in Section 10.

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 $\mathcal{O}(1)$ 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 $5 \times$, suppresses memorization in PINNs and implicit neural representations, and improves DPO fine-tuning under noisy preferences while staying $3 \times$ closer to the reference policy.

Graph neural tangent kernels give a principled infinite-width theory for graph neural networks, but inherit a basic limitation of graph models: they see only pairwise structure. Many relational systems contain higher-order interactions that are more naturally represented by simplicial complexes. We introduce the Topological Neural Tangent Kernel (TopoNTK), an infinite-width kernel for simplicial message passing on edge features. TopoNTK combines lower Hodge interactions, capturing graph-like coupling through shared vertices, with upper Hodge interactions, capturing coupling through filled simplices. This makes the kernel sensitive to topology invisible to graph kernels, allowing complexes with the same graph but different filled simplices to induce different kernels. Beyond expressivity, the Hodge structure gives the kernel an interpretable learning geometry. Edge signals decompose into gradient-like, harmonic, and local circulation components, and the spectrum of the TopoNTK determines how quickly each component is learned. This yields a topological form of spectral bias: components aligned with large-eigenvalue modes are learned quickly, while global harmonic modes, retained through the residual channel, often lie at smaller eigenvalues and are learned more slowly. We prove expressivity, Hodge-alignment, spectral learning, and stability properties, and validate them on synthetic simplicial tasks and DBLP higher-order link prediction. The results show that topology is not merely extra structure; it can provide coordinates that make relational learning more faithful, interpretable, and effective.

Neural networks transform data through learned representations whose geometry affects separation, contraction, and generalization. Recent work studies this geometry using discrete curvature on neighborhood graphs, suggesting Ricci-flow-like behavior across layers. We develop a smooth operator-theoretic alternative for feedforward representation snapshots. Each feature cloud induces a Gaussian-kernel diffusion Markov operator, and transport, spectral, label-boundary, and local-scale observables are derived from this single object via Bakry-Emery $Γ$-calculus. In a balanced Gaussian class-conditional snapshot model with shared covariance, the population operator has closed-form class affinities, leakage, and coarse spectra, all controlled by pairwise regularized Mahalanobis separations $c_\varepsilon^{(a,b)}$. We also prove that the resulting operator observables vary smoothly under feature perturbations, while hard neighborhood-graph diagnostics can change discontinuously. Synthetic experiments validate the closed-form Gaussian bridge, while learned MNIST experiments show that the same operator observables track training, width, and perturbation stability. Together, these results give a stable operator-geometric framework for analyzing feedforward representation geometry.

Uncertainty estimation is essential for robust decision-making in the presence of ambiguous or out-of-distribution inputs. Gaussian Processes (GPs) are classical kernel-based models that offer principled uncertainty quantification and perform well on small- to medium-scale datasets. Alternatively, formulating the weight space learning problem under tensor network assumptions yields scalable tensor network kernel machines. However, these assumptions break Gaussianity, complicating standard probabilistic inference. This raises a fundamental question: how can tensor network kernel machines provide principled uncertainty estimates? We propose a novel Bayesian Tensor Network Kernel Machine (LA-TNKM) that employs a (linearized) Laplace approximation for Bayesian inference. A comprehensive set of numerical experiments shows that the proposed method consistently matches or surpasses Gaussian Processes and Bayesian Neural Networks (BNNs) across diverse UCI regression benchmarks, highlighting both its effectiveness and practical relevance.

Deep learning models are widely deployed in safety-critical domains, but remain vulnerable to adversarial attacks. In this paper, we study the adversarial robustness of NTK neural networks in the context of nonparametric regression. We establish minimax optimal rates for adversarial regression in Sobolev spaces and then show that NTK neural networks, trained via gradient flow with early stopping, can achieve this optimal rate. However, in the overfitting regime, we prove that the minimum norm interpolant is vulnerable to adversarial perturbations.