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 kernel distance


Reactivation: Empirical NTK Dynamics Under Task Shifts

arXiv.org Artificial Intelligence

The Neural Tangent Kernel (NTK) offers a powerful tool to study the functional dynamics of neural networks. In the so-called lazy, or kernel regime, the NTK remains static during training and the network function is linear in the static neural tangents feature space. The evolution of the NTK during training is necessary for feature learning, a key driver of deep learning success. The study of the NTK dynamics has led to several critical discoveries in recent years, in generalization and scaling behaviours. However, this body of work has been limited to the single task setting, where the data distribution is assumed constant over time. In this work, we present a comprehensive empirical analysis of NTK dynamics in continual learning, where the data distribution shifts over time. Our findings highlight continual learning as a rich and underutilized testbed for probing the dynamics of neural training. At the same time, they challenge the validity of static-kernel approximations in theoretical treatments of continual learning, even at large scale.


New Evidence of the Two-Phase Learning Dynamics of Neural Networks

arXiv.org Artificial Intelligence

Understanding how deep neural networks learn remains a fundamental challenge in modern machine learning. A growing body of evidence suggests that training dynamics undergo a distinct phase transition, yet our understanding of this transition is still incomplete. In this paper, we introduce an interval-wise perspective that compares network states across a time window, revealing two new phenomena that illuminate the two-phase nature of deep learning. i) \textbf{The Chaos Effect.} By injecting an imperceptibly small parameter perturbation at various stages, we show that the response of the network to the perturbation exhibits a transition from chaotic to stable, suggesting there is an early critical period where the network is highly sensitive to initial conditions; ii) \textbf{The Cone Effect.} Tracking the evolution of the empirical Neural Tangent Kernel (eNTK), we find that after this transition point the model's functional trajectory is confined to a narrow cone-shaped subset: while the kernel continues to change, it gets trapped into a tight angular region. Together, these effects provide a structural, dynamical view of how deep networks transition from sensitive exploration to stable refinement during training.


On the Cone Effect in the Learning Dynamics

arXiv.org Artificial Intelligence

Understanding the learning dynamics of neural networks is a central topic in the deep learning community. In this paper, we take an empirical perspective to study the learning dynamics of neural networks in real-world settings. Specifically, we investigate the evolution process of the empirical Neural Tangent Kernel (eNTK) during training. Our key findings reveal a two-phase learning process: i) in Phase I, the eNTK evolves significantly, signaling the rich regime, and ii) in Phase II, the eNTK keeps evolving but is constrained in a narrow space, a phenomenon we term the cone effect. This two-phase framework builds on the hypothesis proposed by Fort et al. (2020), but we uniquely identify the cone effect in Phase II, demonstrating its significant performance advantages over fully linearized training.


Review for NeurIPS paper: A graph similarity for deep learning

Neural Information Processing Systems

Summary and Contributions: The paper proposes a novel graph neural network architecture which is motivated both by the Weisfeiler-Lehman isomorphism test and kernel theory. In more detail, the paper states that the natural representation of a neighborhood of a node is not a simple sum but a sum of features in the kernel space, because this yields a meaningful kernel/distance between sets. Accordingly, the paper suggests that the lth-layer representation of a node should not be the transformed sum of previous layer representations in the neighborhood, but rather the sum of transformed previous-layer representations. This scheme is evaluated in node classification, graph classification, graph regression, and graph generation tasks, yielding performance gains in all cases, with particularly impressive gains in graph kernel classification.


On The Relative Error of Random Fourier Features for Preserving Kernel Distance

arXiv.org Artificial Intelligence

The method of random Fourier features (RFF), proposed in a seminal paper by Rahimi and Recht (NIPS'07), is a powerful technique to find approximate low-dimensional representations of points in (high-dimensional) kernel space, for shift-invariant kernels. While RFF has been analyzed under various notions of error guarantee, the ability to preserve the kernel distance with \emph{relative} error is less understood. We show that for a significant range of kernels, including the well-known Laplacian kernels, RFF cannot approximate the kernel distance with small relative error using low dimensions. We complement this by showing as long as the shift-invariant kernel is analytic, RFF with $\mathrm{poly}(\epsilon^{-1} \log n)$ dimensions achieves $\epsilon$-relative error for pairwise kernel distance of $n$ points, and the dimension bound is improved to $\mathrm{poly}(\epsilon^{-1}\log k)$ for the specific application of kernel $k$-means. Finally, going beyond RFF, we make the first step towards data-oblivious dimension-reduction for general shift-invariant kernels, and we obtain a similar $\mathrm{poly}(\epsilon^{-1} \log n)$ dimension bound for Laplacian kernels. We also validate the dimension-error tradeoff of our methods on simulated datasets, and they demonstrate superior performance compared with other popular methods including random-projection and Nystr\"{o}m methods.


Generative models with kernel distance in data space

arXiv.org Machine Learning

Generative models dealing with modeling a~joint data distribution are generally either autoencoder or GAN based. Both have their pros and cons, generating blurry images or being unstable in training or prone to mode collapse phenomenon, respectively. The objective of this paper is to construct a~model situated between above architectures, one that does not inherit their main weaknesses. The proposed LCW generator (Latent Cramer-Wold generator) resembles a classical GAN in transforming Gaussian noise into data space. What is of utmost importance, instead of a~discriminator, LCW generator uses kernel distance. No adversarial training is utilized, hence the name generator. It is trained in two phases. First, an autoencoder based architecture, using kernel measures, is built to model a manifold of data. We propose a Latent Trick mapping a Gaussian to latent in order to get the final model. This results in very competitive FID values.


Weighted Meta-Learning

arXiv.org Machine Learning

Meta-learning leverages related source tasks to learn an initialization that can be quickly fine-tuned to a target task with limited labeled examples. However, many popular meta-learning algorithms, such as model-agnostic meta-learning (MAML), only assume access to the target samples for fine-tuning. In this work, we provide a general framework for meta-learning based on weighting the loss of different source tasks, where the weights are allowed to depend on the target samples. In this general setting, we provide upper bounds on the distance of the weighted empirical risk of the source tasks and expected target risk in terms of an integral probability metric (IPM) and Rademacher complexity, which apply to a number of meta-learning settings including MAML and a weighted MAML variant. We then develop a learning algorithm based on minimizing the error bound with respect to an empirical IPM, including a weighted MAML algorithm, $\alpha$-MAML. Finally, we demonstrate empirically on several regression problems that our weighted meta-learning algorithm is able to find better initializations than uniformly-weighted meta-learning algorithms, such as MAML.


Relative Error RKHS Embeddings for Gaussian Kernels

arXiv.org Machine Learning

We show how to obliviously embed into the reproducing kernel Hilbert space associated with Gaussian kernels, so that distance in this space (the kernel distance) only has $(1+\varepsilon)$-relative error. This only holds in comparing any point sets at a kernel distance at least $\alpha$; this parameter only shows up as a poly-logarithmic factor of the dimension of an intermediate embedding, but not in the final embedding. The main insight is to effectively modify the well-traveled random Fourier features to be slightly biased and have higher variance, but so they can be defined as a convolution over the function space. This result provides the first guaranteed algorithmic results for LSH of kernel distance on point sets and low-dimensional shapes and distributions, and for relative error bounds on the kernel two-sample test.


Mathematical Analysis on Out-of-Sample Extensions

arXiv.org Machine Learning

Let $X=\mathbf{X}\cup\mathbf{Z}$ be a data set in $\mathbb{R}^D$, where $\mathbf{X}$ is the training set and $\mathbf{Z}$ is the test one. Many unsupervised learning algorithms based on kernel methods have been developed to provide dimensionality reduction (DR) embedding for a given training set $\Phi: \mathbf{X} \to \mathbb{R}^d$ ( $d\ll D$) that maps the high-dimensional data $\mathbf{X}$ to its low-dimensional feature representation $\mathbf{Y}=\Phi(\mathbf{X})$. However, these algorithms do not straightforwardly produce DR of the test set $\mathbf{Z}$. An out-of-sample extension method provides DR of $\mathbf{Z}$ using an extension of the existent embedding $\Phi$, instead of re-computing the DR embedding for the whole set $X$. Among various out-of-sample DR extension methods, those based on Nystr\"{o}m approximation are very attractive. Many papers have developed such out-of-extension algorithms and shown their validity by numerical experiments. However, the mathematical theory for the DR extension still need further consideration. Utilizing the reproducing kernel Hilbert space (RKHS) theory, this paper develops a preliminary mathematical analysis on the out-of-sample DR extension operators. It treats an out-of-sample DR extension operator as an extension of the identity on the RKHS defined on $\mathbf{X}$. Then the Nystr\"{o}m-type DR extension turns out to be an orthogonal projection. In the paper, we also present the conditions for the exact DR extension and give the estimate for the error of the extension.


Improved Coresets for Kernel Density Estimates

arXiv.org Machine Learning

We study the construction of coresets for kernel density estimates. That is we show how to approximate the kernel density estimate described by a large point set with another kernel density estimate with a much smaller point set. For characteristic kernels (including Gaussian and Laplace kernels), our approximation preserves the $L_\infty$ error between kernel density estimates within error $\epsilon$, with coreset size $2/\epsilon^2$, but no other aspects of the data, including the dimension, the diameter of the point set, or the bandwidth of the kernel common to other approximations. When the dimension is unrestricted, we show this bound is tight for these kernels as well as a much broader set. This work provides a careful analysis of the iterative Frank-Wolfe algorithm adapted to this context, an algorithm called \emph{kernel herding}. This analysis unites a broad line of work that spans statistics, machine learning, and geometry. When the dimension $d$ is constant, we demonstrate much tighter bounds on the size of the coreset specifically for Gaussian kernels, showing that it is bounded by the size of the coreset for axis-aligned rectangles. Currently the best known constructive bound is $O(\frac{1}{\epsilon} \log^d \frac{1}{\epsilon})$, and non-constructively, this can be improved by $\sqrt{\log \frac{1}{\epsilon}}$. This improves the best constant dimension bounds polynomially for $d \geq 3$.