arXiv subjects

Maximilian Fleissner

Publications and source records attributed to Maximilian Fleissner.

9 recordsLinked to original sources

arXiv2026

An Analysis of Self-supervised Pre-training with Dependent Samples

Self-supervised learning relies on so-called data augmentations $\phi(x)$ of unlabeled datapoints $x$ --- for example, masking random pixels in an image $x$ --- that should leave the label of $x$ invariant and are often used to learn a lower-complexity invariant subspace $\cal V$ for downstream tasks. In practice, such augmentations $\{ \phi_l(x_i) \}$ are pooled together to learn $\cal V$, despite obvious inter-dependencies between different augmentations $\phi_l(x), \phi_k(x)$ of the same datapoint $x$. However, theoretical works on the subject typically consider procedures that avoid such dependencies, and are therefore limited to operate on smaller subsets of independent data. We show in this work that pooling augmentations together, despite inter-dependencies, is a better alternative than the baseline of partitioning the data into subsets of independent data. More precisely, in the context of estimating $\cal V$, the statistical estimation error bounds for pooling are never worse than the partitioning baseline, and in some cases --- such as masking or noise injection-based augmentations over a shallow neural network --- naive pooling leads to faster rates in terms of the number of augmentations. The benefits of pooling are particularly prominent when the correlations between different augmentations $\phi_l(x), \phi_k(x)$ have mild effects on estimation or help decrease the estimation variance. The analysis, therefore, yields new insights into the success of pooling augmented samples in self-supervised pre-training, and provides an intuition behind the practical preference towards using many augmentations.

stat.ML↗

arXiv2025

Theoretical Foundations of Representation Learning using Unlabeled Data: Statistics and Optimization

Representation learning from unlabeled data has been extensively studied in statistics, data science and signal processing with a rich literature on techniques for dimension reduction, compression, multi-dimensional scaling among others. However, current deep learning models use new principles for unsupervised representation learning that cannot be easily analyzed using classical theories. For example, visual foundation models have found tremendous success using self-supervision or denoising/masked autoencoders, which effectively learn representations from massive amounts of unlabeled data. However, it remains difficult to characterize the representations learned by these models and to explain why they perform well for diverse prediction tasks or show emergent behavior. To answer these questions, one needs to combine mathematical tools from statistics and optimization. This paper provides an overview of recent theoretical advances in representation learning from unlabeled data and mentions our contributions in this direction.

cs.LG↗

arXiv2025

Impact of Bottleneck Layers and Skip Connections on the Generalization of Linear Denoising Autoencoders

Modern deep neural networks exhibit strong generalization even in highly overparameterized regimes. Significant progress has been made to understand this phenomenon in the context of supervised learning, but for unsupervised tasks such as denoising, several open questions remain. While some recent works have successfully characterized the test error of the linear denoising problem, they are limited to linear models (one-layer network). In this work, we focus on two-layer linear denoising autoencoders trained under gradient flow, incorporating two key ingredients of modern deep learning architectures: A low-dimensional bottleneck layer that effectively enforces a rank constraint on the learned solution, as well as the possibility of a skip connection that bypasses the bottleneck. We derive closed-form expressions for all critical points of this model under product regularization, and in particular describe its global minimizer under the minimum-norm principle. From there, we derive the test risk formula in the overparameterized regime, both for models with and without skip connections. Our analysis reveals two interesting phenomena: Firstly, the bottleneck layer introduces an additional complexity measure akin to the classical bias-variance trade-off -- increasing the bottleneck width reduces bias but introduces variance, and vice versa. Secondly, skip connection can mitigate the variance in denoising autoencoders -- especially when the model is mildly overparameterized. We further analyze the impact of skip connections in denoising autoencoder using random matrix theory and support our claims with numerical evidence.

stat.ML↗

arXiv2025

A Probabilistic Model for Non-Contrastive Learning

Self-supervised learning (SSL) aims to find meaningful representations from unlabeled data by encoding semantic similarities through data augmentations. Despite its current popularity, theoretical insights about SSL are still scarce. For example, it is not yet known whether commonly used SSL loss functions can be related to a statistical model, much in the same as OLS, generalized linear models or PCA naturally emerge as maximum likelihood estimates of an underlying generative process. In this short paper, we consider a latent variable statistical model for SSL that exhibits an interesting property: Depending on the informativeness of the data augmentations, the MLE of the model either reduces to PCA, or approaches a simple non-contrastive loss. We analyze the model and also empirically illustrate our findings.

cs.LG↗

arXiv2024

Infinite Width Limits of Self Supervised Neural Networks

The NTK is a widely used tool in the theoretical analysis of deep learning, allowing us to look at supervised deep neural networks through the lenses of kernel regression. Recently, several works have investigated kernel models for self-supervised learning, hypothesizing that these also shed light on the behavior of wide neural networks by virtue of the NTK. However, it remains an open question to what extent this connection is mathematically sound -- it is a commonly encountered misbelief that the kernel behavior of wide neural networks emerges irrespective of the loss function it is trained on. In this paper, we bridge the gap between the NTK and self-supervised learning, focusing on two-layer neural networks trained under the Barlow Twins loss. We prove that the NTK of Barlow Twins indeed becomes constant as the width of the network approaches infinity. Our analysis technique is a bit different from previous works on the NTK and may be of independent interest. Overall, our work provides a first justification for the use of classic kernel theory to understand self-supervised learning of wide neural networks. Building on this result, we derive generalization error bounds for kernelized Barlow Twins and connect them to neural networks of finite width.

cs.LG↗

arXiv2024

A Theoretical Characterization of Optimal Data Augmentations in Self-Supervised Learning

Data augmentations play an important role in the recent success of self-supervised learning (SSL). While augmentations are commonly understood to encode invariances between different views into the learned representations, this interpretation overlooks the impact of the pretraining architecture and suggests that SSL would require diverse augmentations which resemble the data to work well. However, these assumptions do not align with empirical evidence, encouraging further theoretical understanding to guide the principled design of augmentations in new domains. To this end, we use kernel theory to derive analytical expressions for data augmentations that achieve desired target representations after pretraining. We consider non-contrastive and contrastive losses, namely VICReg, Barlow Twins and the Spectral Contrastive Loss, and provide an algorithm to construct such augmentations. Our analysis shows that augmentations need not be similar to the data to learn useful representations, nor be diverse, and that the architecture has a significant impact on the optimal augmentations.

cs.LG↗

arXiv2024

Explainable Clustering of Mixture Models

The explainable clustering problem was first posed by Moshkovitz et al. (ICML 2020) and studies how well an axis-aligned decision tree with $K$ leaves can approximate a given clustering. The performance of the tree is measured via the \textit{price of explainability}, defined as the ratio between the clustering cost of the tree (where every leaf is a cluster) and the optimal cost. Several recent works have given worst-case characterizations of the price of explainability for different cost functions. However, these guarantees are data-agnostic and therefore notoriously pessimistic in practical clustering settings. In this paper, we study explainable clustering from the point of view of mixture models, which allows us to give the first data-dependent bounds on the price of explainability. First, we focus on $K$-medians clustering of mixture models with subexponential tails. We propose an algorithm that leverages information about the distribution of the data to find better cuts, and prove new upper and lower bounds. Second, we extend our algorithm and the theoretical guarantees it provides to kernel clustering, thereby refining the existing worst-case analysis.

cs.LG↗

arXiv2024

Explaining Kernel Clustering via Decision Trees

Despite the growing popularity of explainable and interpretable machine learning, there is still surprisingly limited work on inherently interpretable clustering methods. Recently, there has been a surge of interest in explaining the classic k-means algorithm, leading to efficient algorithms that approximate k-means clusters using axis-aligned decision trees. However, interpretable variants of k-means have limited applicability in practice, where more flexible clustering methods are often needed to obtain useful partitions of the data. In this work, we investigate interpretable kernel clustering, and propose algorithms that construct decision trees to approximate the partitions induced by kernel k-means, a nonlinear extension of k-means. We further build on previous work on explainable k-means and demonstrate how a suitable choice of features allows preserving interpretability without sacrificing approximation guarantees on the interpretable model.

cs.LG↗

arXiv2023

Non-Parametric Representation Learning with Kernels

Unsupervised and self-supervised representation learning has become popular in recent years for learning useful features from unlabelled data. Representation learning has been mostly developed in the neural network literature, and other models for representation learning are surprisingly unexplored. In this work, we introduce and analyze several kernel-based representation learning approaches: Firstly, we define two kernel Self-Supervised Learning (SSL) models using contrastive loss functions and secondly, a Kernel Autoencoder (AE) model based on the idea of embedding and reconstructing data. We argue that the classical representer theorems for supervised kernel machines are not always applicable for (self-supervised) representation learning, and present new representer theorems, which show that the representations learned by our kernel models can be expressed in terms of kernel matrices. We further derive generalisation error bounds for representation learning with kernel SSL and AE, and empirically evaluate the performance of these methods in both small data regimes as well as in comparison with neural network based models.

cs.LG↗