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Eigen-Spike Emergence and Quadratic Equivalents for Conjugate Kernels on Nonlinearly Separable Data

arXiv.org Machine Learning

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). On the one hand, these deterministic equivalents make theoretical predictions tractable by reducing a complex model to a simpler model 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 when dealing with high-dimensional nonlinearly separable data, such as performing clssification on nonlinearly separable data. Motivated by this, we consider the conjugate kernel (CK), which is the nonlinear feature map of a feedforward NN, under a canonical nonlinearly separable dataset, 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 to the spiked 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. In each of these scenarios, we derive a precise BBP-type phase transition in which linear classification via the CK eigenvectors becomes possible. Our analysis helps translate the power of deterministic equivalence tools in RMT to study problems of practical relevance in ML.


Proper Agnostic Learning of Functions of Halfspaces under Gaussian Marginals

arXiv.org Machine Learning

We study the problem of computationally efficient proper agnostic learning of multidimensional concept classes under the Gaussian distribution. In this setting, given i.i.d. labeled samples from an unknown distribution over $\mathbb{R}^d \times \{\pm 1\}$ whose marginal on $\mathbb{R}^d$ is Gaussian, the goal is to output a hypothesis from a target class $\mathcal{F}$ whose 0-1 loss is within $ε$ of that of the best classifier in $\mathcal{F}$. We give the first efficient proper agnostic learning algorithm for arbitrary Boolean functions of $K$ halfspaces under Gaussian marginals. Our algorithm runs in time $d^{O(K^2 \log(1/ε)/ε^2)} + (K/ε)^{O(K^3/ε^{2.5})}$. Prior to our work, the only known algorithm for $K \geq 2$ was brute-force search, with run-time exponential in $d$. Moreover, the dependence of our run-time on the dimension $d$ matches that of the best known improper learning algorithm, namely $d^{\widetilde{O}(K^2/ε^2)}$. For the special case of a single halfspace ($K=1$), the best previous run-time was $d^{O(1/ε^4)} + (1/ε)^{O(1/ε^6)}$. Our algorithm improves this to $d^{O(1/ε^2)} + (1/ε)^{O(1/ε^{2.5})}$. Once again, the dependence on $d$ matches that of the best known improper algorithm, namely $d^{O(1/ε^2)}$. Furthermore, the dependence of our run-time on the dimension $d$ is essentially optimal in the statistical query model.


Smoothed Score Queries and the Complexity of Sampling

arXiv.org Machine Learning

We study the query complexity of sampling from high-dimensional Gaussian distributions using gradient information. In the standard oracle model, exact gradients expose only matrix-vector products with the precision matrix, leading to polynomial approximation barriers and a characteristic \(\sqrtκ\) dependence on the condition number. We show that this barrier disappears when the sampler is allowed to query \emph{smoothed scores}, namely gradients of the logarithms of the Gaussian-convolved densities. For a Gaussian target with precision matrix \(Λ\), a smoothed-score query at noise level \(τ\) gives access to the resolvent \((Λ+τ^{-1}I)^{-1}\). Combining geometrically spaced noise levels with sinc-quadrature rational approximation, we obtain a sampler with $q=O\!\left(\bigl(\logκ+\log(e\sqrt d/δ_{\rm TV})\bigr)\log(e\sqrt d/δ_{\rm TV})\right)$ smoothed-score queries for total variation error \(δ_{\rm TV}\), improving the condition-number dependence from \(\sqrtκ\) to logarithmic. We also study finite-bit gradient oracles. Using coordinatewise quantization of the transformed smoothed-score answers and a final dithering step, we obtain a sampling scheme whose total communicated gradient information is polylogarithmic in \(κ\); in particular, for fixed dimension and accuracy, the bit complexity is \(O(\log^2κ)\). To complement these upper bounds, we introduce a channel-synthesis, or reverse-Shannon, converse technique for sampling lower bounds. This converts total-variation simulation guarantees into communication requirements and yields an \(Ω(\logκ)\) lower bound on the required gradient information. Together, these results identify smoothed scores as a provably more informative oracle for sampling and give nearly matching upper and lower bounds for its finite-bit complexity.


Implicit Regularization in Perturbed Deep Matrix Factorization: Spectral Conditions and Stability

arXiv.org Machine Learning

This paper studies the stability of low-rank implicit regularization in perturbed deep matrix factorization, where the target matrix is corrupted by a noise matrix. We first derive sufficient spectral conditions under which gradient descent exhibits a low-rank phase in the noiseless setting. These conditions show how the target spectrum, initialization, and step size jointly determine the existence of a nonempty low-rank interval. We then analyze the perturbed gradient descent dynamics, proving convergence guarantees and quantifying how the perturbation affects iteration complexity and eigenvalue recovery. Finally, we show that the low-rank phase persists under perturbation, with explicit dependence on the perturbation size. Numerical experiments support the theoretical findings.


Grokking or Glitching? How Low-Precision Drives Slingshot Loss Spikes

arXiv.org Machine Learning

Deep neural networks exhibit periodic loss spikes during unregularized long-term training, a phenomenon known as the "Slingshot Mechanism." Existing work usually attributes this to intrinsic optimization dynamics, but its triggering mechanism remains unclear. This paper proves that this phenomenon is a result of floating-point arithmetic precision limits. As training enters a high-confidence stage, the difference between the correct-class logit and the other logits may exceed the absorption-error threshold. Then during backpropagation, the gradient of the correct class is rounded exactly to zero, while the gradients of the incorrect classes remain nonzero. This breaks the zero-sum constraint of gradients across classes and introduces a systematic drift in the parameter update of the classifier layer. We prove that this drift forms a positive feedback loop with the feature, causing the global classifier mean and the global feature mean to grow exponentially. We call this mechanism Numerical Feature Inflation (NFI). This mechanism explains the rapid norm growth before a Slingshot spike, the subsequent reappearance of gradients, and the resulting loss spike. We further show that NFI is not equivalent to an observed loss spike: in more practical tasks, partial absorption may not produce visible spikes, but it can still break the zero-sum constraint and drive rapid growth of parameter norms. Our results reinterpret Slingshot as a numerical dynamic of finite-precision training, and provide a testable explanation for abnormal parameter growth and logit divergence in late-stage training.


Transformers Can Learn Posterior Predictive Distributions In-Context

arXiv.org Machine Learning

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance and ability to go beyond point predictions, theoretical understandings of the algorithmic capability of transformers to learn distributions in context are still lacking. Focusing on Gaussian process regression problems, we show by construction that transformers can implement a gradient descent algorithm targeting the posterior predictive mean and variance, followed by nonlinear mappings that yield binned probabilities of PPD. We study the error bounds of the approximated PPD in terms of attention depth and bin resolution. Based on these results, we further demonstrate the key role of normalization and the choice of attention depth in enabling the extrapolation abilities of transformers beyond the pretraining sample size range. We conduct simulations that corroborate our findings, providing insight into the expressivity of PFNs targeting PPDs and how architectural choices may influence generalization capabilities.


Mean-Shift PCA by Knockoff Mean

arXiv.org Machine Learning

Removing noise is difficult, but adding noise is easy. In this work, we show how to eliminate mean-shift noisy components from PCA by deliberately introducing knockoff mean-shift perturbation. Standard PCA is highly sensitive to shifts in the sample mean: a small fraction of samples from a shifted distribution can cause large deviations in the leading principal components. In high-dimensional regimes, existing Robust PCA approaches cannot handle the mean-shift contamination structure inherent in the mixture model. Using tools from Random Matrix Theory, we prove that the mean-shift spikes are spectrally separable from the stable eigenvalues of the original covariance. Furthermore, the original eigenspace remains asymptotically invariant to the contamination, independent of the mixture weight. Exploiting this spectral stability, we propose a simple, two-stage PCA algorithm by adding knockoff mean that identifies and removes the mean-shift component using only standard PCA operations.


Spectral Dynamics in Deep Networks: Feature Learning, Outlier Escape, and Learning Rate Transfer

arXiv.org Machine Learning

We study the evolution of hidden-weight spectra in wide neural networks trained by (stochastic) gradient descent. We develop a two-level dynamical mean-field theory (DMFT) that jointly tracks bulk and outlier spectral dynamics for spiked ensembles whose spike directions remain statistically dependent on the random bulk. We apply this framework to two settings: (1) infinite-width nonlinear networks in mean-field/$μ$P scaling and (2) deep linear networks in the proportional high-dimensional limit, where width, input dimension, and sample size diverge with fixed ratios. Our theory predicts how outliers evolve with training time, width, output scale, and initialization variance. In deep linear networks, $μ$P yields width-consistent outlier dynamics and hyperparameter transfer, including width-stable growth of the leading NTK mode toward the edge of stability (EoS). In contrast, NTK parameterization exhibits strongly width-dependent outlier dynamics, despite converging to a stable large-width limit. We show that this bulk+outlier picture is descriptive of simple tasks with small output channels, but that tasks involving large numbers of outputs (ImageNet classification or GPT language modeling) are better described by a restructuring of the spectral bulk. We develop a toy model with extensive output channels that recapitulates this phenomenon and show that edge of the spectrum still converges for sufficiently wide networks.


Convergence Analysis of Newton's Method for Neural Networks in the Overparameterized Limit

arXiv.org Machine Learning

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.


Spectral bandits for smooth graph functions with applications in recommender systems

arXiv.org Machine Learning

Smooth functions on graphs have wide applications in manifold and semi-supervised learning. In this paper, we study a bandit problem where the payoffs of arms are smooth on a graph. This framework is suitable for solving online learning problems that involve graphs, such as content-based recommendation. In this problem, each recommended item is a node and its expected rating is similar to its neighbors. The goal is to recommend items that have high expected ratings. We aim for the algorithms where the cumulative regret would not scale poorly with the number of nodes. In particular, we introduce the notion of an effective dimension, which is small in real-world graphs, and propose two algorithms for solving our problem that scale linearly in this dimension. Our experiments on real-world content recommendation problem show that a good estimator of user preferences for thousands of items can be learned from just tens nodes evaluations.