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Umut Şimşekli

Publications and source records attributed to Umut Şimşekli.

At least 19 recordsLinked to original sources

On the Interaction of Compressibility and Adversarial Robustness

As demands for resource efficiency and safety in modern neural networks intensify, substantial research effort has gone into model compression and adversarial robustness. Yet despite progress on each in isolation, a systematic understanding of how compressibility shapes robustness remains elusive. In this paper, we develop a principled framework to analyze how different forms of structured compressibility - such as neuron-level and spectral compressibility - affect adversarial robustness. We show that structured compressibility can induce a small number of highly sensitive directions in the representation space, which adversaries can exploit to construct effective perturbations. Our analysis yields a robustness bound that reveals how neuron and spectral compressibility impact $\ell_\infty$ and $\ell_2$ robustness via their effects on the learned representations. Crucially, the vulnerabilities we identify arise irrespective of how compressibility is achieved - whether via regularization, architectural bias, or learning dynamics. Through empirical evaluations across synthetic and realistic tasks, we confirm our theoretical predictions, and further demonstrate that these vulnerabilities persist under adversarial training and transfer learning, and contribute to the emergence of universal adversarial examples. Our findings show a fundamental tension between structured compressibility and robustness and highlight new pathways for designing models that are efficient and safe.

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Generalization at the Edge of Stability

Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.

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Stability, Complexity and Data-Dependent Worst-Case Generalization Bounds

Providing generalization guarantees for stochastic optimization algorithms remains a key challenge in learning theory. Recently, numerous works demonstrated the impact of the geometric properties of optimization trajectories on generalization performance. These works propose worst-case generalization bounds in terms of various notions of intrinsic dimension and/or topological complexity, which were found to empirically correlate with the generalization error. However, most of these approaches involve intractable mutual information terms, which limit a full understanding of the bounds. In contrast, some authors built on algorithmic stability to obtain worst-case bounds involving geometric quantities of a combinatorial nature, which are impractical to compute. In this paper, we address these limitations by combining empirically relevant complexity measures with a framework that avoids intractable quantities. To this end, we introduce the concept of \emph{random set stability}, tailored for the data-dependent random sets produced by stochastic optimization algorithms. Within this framework, we show that the worst-case generalization error can be bounded in terms of (i) the random set stability parameter and (ii) empirically relevant, data- and algorithm-dependent complexity measures of the random set. Moreover, our framework improves existing topological generalization bounds by recovering previous complexity notions without relying on mutual information terms. Through a series of experiments in practically relevant settings, we validate our theory by evaluating the tightness of our bounds and the interplay between topological complexity and stability.

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Rényi Differential Privacy for Heavy-Tailed SDEs via Fractional Poincaré Inequalities

Characterizing the differential privacy (DP) of learning algorithms has become a major challenge in recent years. In parallel, many studies suggested investigating the behavior of stochastic gradient descent (SGD) with heavy-tailed noise, both as a model for modern deep learning models and to improve their performance. However, most DP bounds focus on light-tailed noise, where satisfactory guarantees have been obtained but the proposed techniques do not directly extend to the heavy-tailed setting. Recently, the first DP guarantees for heavy-tailed SGD were obtained. These results provide $(0,δ)$-DP guarantees without requiring gradient clipping. Despite casting new light on the link between DP and heavy-tailed algorithms, these results have a strong dependence on the number of parameters and cannot be extended to other DP notions like the well-established Rényi differential privacy (RDP). In this work, we propose to address these limitations by deriving the first RDP guarantees for heavy-tailed SDEs, as well as their discretized counterparts. Our framework is based on new Rényi flow computations and the use of well-established fractional Poincaré inequalities. Under the assumption that such inequalities are satisfied, we obtain DP guarantees that have a much weaker dependence on the dimension compared to prior art.

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Generalization Bounds for Heavy-Tailed SDEs through the Fractional Fokker-Planck Equation

Understanding the generalization properties of heavy-tailed stochastic optimization algorithms has attracted increasing attention over the past years. While illuminating interesting aspects of stochastic optimizers by using heavy-tailed stochastic differential equations as proxies, prior works either provided expected generalization bounds, or introduced non-computable information theoretic terms. Addressing these drawbacks, in this work, we prove high-probability generalization bounds for heavy-tailed SDEs which do not contain any nontrivial information theoretic terms. To achieve this goal, we develop new proof techniques based on estimating the entropy flows associated with the so-called fractional Fokker-Planck equation (a partial differential equation that governs the evolution of the distribution of the corresponding heavy-tailed SDE). In addition to obtaining high-probability bounds, we show that our bounds have a better dependence on the dimension of parameters as compared to prior art. Our results further identify a phase transition phenomenon, which suggests that heavy tails can be either beneficial or harmful depending on the problem structure. We support our theory with experiments conducted in a variety of settings.

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Privacy of SGD under Gaussian or Heavy-Tailed Noise: Guarantees without Gradient Clipping

The injection of heavy-tailed noise into the iterates of stochastic gradient descent (SGD) has garnered growing interest in recent years due to its theoretical and empirical benefits for optimization and generalization. However, its implications for privacy preservation remain largely unexplored. Aiming to bridge this gap, we provide differential privacy (DP) guarantees for noisy SGD, when the injected noise follows an $α$-stable distribution, which includes a spectrum of heavy-tailed distributions (with infinite variance) as well as the light-tailed Gaussian distribution. Considering the $(ε, δ)$-DP framework, we show that SGD with heavy-tailed perturbations achieves $(0, O(1/n))$-DP for a broad class of loss functions which can be non-convex, where $n$ is the number of data points. As a remarkable byproduct, contrary to prior work that necessitates bounded sensitivity for the gradients or clipping the iterates, our theory can handle unbounded gradients without clipping, and reveals that under mild assumptions, such a projection step is not actually necessary. Our results suggest that, given other benefits of heavy-tails in optimization, heavy-tailed noising schemes can be a viable alternative to their light-tailed counterparts.

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Topological Generalization Bounds for Discrete-Time Stochastic Optimization Algorithms

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization properties, yet the source of these capabilities remains elusive, defying the established statistical learning theory. Recent studies have revealed that properties of training trajectories can be indicative of generalization. Building on this insight, state-of-the-art methods have leveraged the topology of these trajectories, particularly their fractal dimension, to quantify generalization. Most existing works compute this quantity by assuming continuous- or infinite-time training dynamics, complicating the development of practical estimators capable of accurately predicting generalization without access to test data. In this paper, we respect the discrete-time nature of training trajectories and investigate the underlying topological quantities that can be amenable to topological data analysis tools. This leads to a new family of reliable topological complexity measures that provably bound the generalization error, eliminating the need for restrictive geometric assumptions. These measures are computationally friendly, enabling us to propose simple yet effective algorithms for computing generalization indices. Moreover, our flexible framework can be extended to different domains, tasks, and architectures. Our experimental results demonstrate that our new complexity measures correlate highly with generalization error in industry-standards architectures such as transformers and deep graph networks. Our approach consistently outperforms existing topological bounds across a wide range of datasets, models, and optimizers, highlighting the practical relevance and effectiveness of our complexity measures.

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Tighter Generalisation Bounds via Interpolation

This paper contains a recipe for deriving new PAC-Bayes generalisation bounds based on the $(f, Γ)$-divergence, and, in addition, presents PAC-Bayes generalisation bounds where we interpolate between a series of probability divergences (including but not limited to KL, Wasserstein, and total variation), making the best out of many worlds depending on the posterior distributions properties. We explore the tightness of these bounds and connect them to earlier results from statistical learning, which are specific cases. We also instantiate our bounds as training objectives, yielding non-trivial guarantees and practical performances.

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Learning via Wasserstein-Based High Probability Generalisation Bounds

Minimising upper bounds on the population risk or the generalisation gap has been widely used in structural risk minimisation (SRM) -- this is in particular at the core of PAC-Bayesian learning. Despite its successes and unfailing surge of interest in recent years, a limitation of the PAC-Bayesian framework is that most bounds involve a Kullback-Leibler (KL) divergence term (or its variations), which might exhibit erratic behavior and fail to capture the underlying geometric structure of the learning problem -- hence restricting its use in practical applications. As a remedy, recent studies have attempted to replace the KL divergence in the PAC-Bayesian bounds with the Wasserstein distance. Even though these bounds alleviated the aforementioned issues to a certain extent, they either hold in expectation, are for bounded losses, or are nontrivial to minimize in an SRM framework. In this work, we contribute to this line of research and prove novel Wasserstein distance-based PAC-Bayesian generalisation bounds for both batch learning with independent and identically distributed (i.i.d.) data, and online learning with potentially non-i.i.d. data. Contrary to previous art, our bounds are stronger in the sense that (i) they hold with high probability, (ii) they apply to unbounded (potentially heavy-tailed) losses, and (iii) they lead to optimizable training objectives that can be used in SRM. As a result we derive novel Wasserstein-based PAC-Bayesian learning algorithms and we illustrate their empirical advantage on a variety of experiments.

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Cyclic and Randomized Stepsizes Invoke Heavier Tails in SGD than Constant Stepsize

Cyclic and randomized stepsizes are widely used in the deep learning practice and can often outperform standard stepsize choices such as constant stepsize in SGD. Despite their empirical success, not much is currently known about when and why they can theoretically improve the generalization performance. We consider a general class of Markovian stepsizes for learning, which contain i.i.d. random stepsize, cyclic stepsize as well as the constant stepsize as special cases, and motivated by the literature which shows that heaviness of the tails (measured by the so-called "tail-index") in the SGD iterates is correlated with generalization, we study tail-index and provide a number of theoretical results that demonstrate how the tail-index varies on the stepsize scheduling. Our results bring a new understanding of the benefits of cyclic and randomized stepsizes compared to constant stepsize in terms of the tail behavior. We illustrate our theory on linear regression experiments and show through deep learning experiments that Markovian stepsizes can achieve even a heavier tail and be a viable alternative to cyclic and i.i.d. randomized stepsize rules.

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Generalization Bounds with Data-dependent Fractal Dimensions

Providing generalization guarantees for modern neural networks has been a crucial task in statistical learning. Recently, several studies have attempted to analyze the generalization error in such settings by using tools from fractal geometry. While these works have successfully introduced new mathematical tools to apprehend generalization, they heavily rely on a Lipschitz continuity assumption, which in general does not hold for neural networks and might make the bounds vacuous. In this work, we address this issue and prove fractal geometry-based generalization bounds without requiring any Lipschitz assumption. To achieve this goal, we build up on a classical covering argument in learning theory and introduce a data-dependent fractal dimension. Despite introducing a significant amount of technical complications, this new notion lets us control the generalization error (over either fixed or random hypothesis spaces) along with certain mutual information (MI) terms. To provide a clearer interpretation to the newly introduced MI terms, as a next step, we introduce a notion of "geometric stability" and link our bounds to the prior art. Finally, we make a rigorous connection between the proposed data-dependent dimension and topological data analysis tools, which then enables us to compute the dimension in a numerically efficient way. We support our theory with experiments conducted on various settings.

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Efficient Sampling of Stochastic Differential Equations with Positive Semi-Definite Models

This paper deals with the problem of efficient sampling from a stochastic differential equation, given the drift function and the diffusion matrix. The proposed approach leverages a recent model for probabilities \cite{rudi2021psd} (the positive semi-definite -- PSD model) from which it is possible to obtain independent and identically distributed (i.i.d.) samples at precision $\varepsilon$ with a cost that is $m^2 d \log(1/\varepsilon)$ where $m$ is the dimension of the model, $d$ the dimension of the space. The proposed approach consists in: first, computing the PSD model that satisfies the Fokker-Planck equation (or its fractional variant) associated with the SDE, up to error $\varepsilon$, and then sampling from the resulting PSD model. Assuming some regularity of the Fokker-Planck solution (i.e. $β$-times differentiability plus some geometric condition on its zeros) We obtain an algorithm that: (a) in the preparatory phase obtains a PSD model with L2 distance $\varepsilon$ from the solution of the equation, with a model of dimension $m = \varepsilon^{-(d+1)/(β-2s)} (\log(1/\varepsilon))^{d+1}$ where $1/2\leq s\leq1$ is the fractional power to the Laplacian, and total computational complexity of $O(m^{3.5} \log(1/\varepsilon))$ and then (b) for Fokker-Planck equation, it is able to produce i.i.d.\ samples with error $\varepsilon$ in Wasserstein-1 distance, with a cost that is $O(d \varepsilon^{-2(d+1)/β-2} \log(1/\varepsilon)^{2d+3})$ per sample. This means that, if the probability associated with the SDE is somewhat regular, i.e. $β\geq 4d+2$, then the algorithm requires $O(\varepsilon^{-0.88} \log(1/\varepsilon)^{4.5d})$ in the preparatory phase, and $O(\varepsilon^{-1/2}\log(1/\varepsilon)^{2d+2})$ for each sample. Our results suggest that as the true solution gets smoother, we can circumvent the curse of dimensionality without requiring any sort of convexity.

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Algorithmic Stability of Heavy-Tailed Stochastic Gradient Descent on Least Squares

Recent studies have shown that heavy tails can emerge in stochastic optimization and that the heaviness of the tails have links to the generalization error. While these studies have shed light on interesting aspects of the generalization behavior in modern settings, they relied on strong topological and statistical regularity assumptions, which are hard to verify in practice. Furthermore, it has been empirically illustrated that the relation between heavy tails and generalization might not always be monotonic in practice, contrary to the conclusions of existing theory. In this study, we establish novel links between the tail behavior and generalization properties of stochastic gradient descent (SGD), through the lens of algorithmic stability. We consider a quadratic optimization problem and use a heavy-tailed stochastic differential equation (and its Euler discretization) as a proxy for modeling the heavy-tailed behavior emerging in SGD. We then prove uniform stability bounds, which reveal the following outcomes: (i) Without making any exotic assumptions, we show that SGD will not be stable if the stability is measured with the squared-loss $x\mapsto x^2$, whereas it in turn becomes stable if the stability is instead measured with a surrogate loss $x\mapsto |x|^p$ with some $p<2$. (ii) Depending on the variance of the data, there exists a \emph{`threshold of heavy-tailedness'} such that the generalization error decreases as the tails become heavier, as long as the tails are lighter than this threshold. This suggests that the relation between heavy tails and generalization is not globally monotonic. (iii) We prove matching lower-bounds on uniform stability, implying that our bounds are tight in terms of the heaviness of the tails. We support our theory with synthetic and real neural network experiments.

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Algorithmic Stability of Heavy-Tailed SGD with General Loss Functions

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.

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Chaotic Regularization and Heavy-Tailed Limits for Deterministic Gradient Descent

Recent studies have shown that gradient descent (GD) can achieve improved generalization when its dynamics exhibits a chaotic behavior. However, to obtain the desired effect, the step-size should be chosen sufficiently large, a task which is problem dependent and can be difficult in practice. In this study, we incorporate a chaotic component to GD in a controlled manner, and introduce multiscale perturbed GD (MPGD), a novel optimization framework where the GD recursion is augmented with chaotic perturbations that evolve via an independent dynamical system. We analyze MPGD from three different angles: (i) By building up on recent advances in rough paths theory, we show that, under appropriate assumptions, as the step-size decreases, the MPGD recursion converges weakly to a stochastic differential equation (SDE) driven by a heavy-tailed Lévy-stable process. (ii) By making connections to recently developed generalization bounds for heavy-tailed processes, we derive a generalization bound for the limiting SDE and relate the worst-case generalization error over the trajectories of the process to the parameters of MPGD. (iii) We analyze the implicit regularization effect brought by the dynamical regularization and show that, in the weak perturbation regime, MPGD introduces terms that penalize the Hessian of the loss function. Empirical results are provided to demonstrate the advantages of MPGD.

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Generalization Bounds for Stochastic Gradient Descent via Localized $\varepsilon$-Covers

In this paper, we propose a new covering technique localized for the trajectories of SGD. This localization provides an algorithm-specific complexity measured by the covering number, which can have dimension-independent cardinality in contrast to standard uniform covering arguments that result in exponential dimension dependency. Based on this localized construction, we show that if the objective function is a finite perturbation of a piecewise strongly convex and smooth function with $P$ pieces, i.e. non-convex and non-smooth in general, the generalization error can be upper bounded by $O(\sqrt{(\log n\log(nP))/n})$, where $n$ is the number of data samples. In particular, this rate is independent of dimension and does not require early stopping and decaying step size. Finally, we employ these results in various contexts and derive generalization bounds for multi-index linear models, multi-class support vector machines, and $K$-means clustering for both hard and soft label setups, improving the known state-of-the-art rates.

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Generalization Bounds using Lower Tail Exponents in Stochastic Optimizers

Despite the ubiquitous use of stochastic optimization algorithms in machine learning, the precise impact of these algorithms and their dynamics on generalization performance in realistic non-convex settings is still poorly understood. While recent work has revealed connections between generalization and heavy-tailed behavior in stochastic optimization, this work mainly relied on continuous-time approximations; and a rigorous treatment for the original discrete-time iterations is yet to be performed. To bridge this gap, we present novel bounds linking generalization to the lower tail exponent of the transition kernel associated with the optimizer around a local minimum, in both discrete- and continuous-time settings. To achieve this, we first prove a data- and algorithm-dependent generalization bound in terms of the celebrated Fernique-Talagrand functional applied to the trajectory of the optimizer. Then, we specialize this result by exploiting the Markovian structure of stochastic optimizers, and derive bounds in terms of their (data-dependent) transition kernels. We support our theory with empirical results from a variety of neural networks, showing correlations between generalization error and lower tail exponents.

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Rate-Distortion Theoretic Generalization Bounds for Stochastic Learning Algorithms

Understanding generalization in modern machine learning settings has been one of the major challenges in statistical learning theory. In this context, recent years have witnessed the development of various generalization bounds suggesting different complexity notions such as the mutual information between the data sample and the algorithm output, compressibility of the hypothesis space, and the fractal dimension of the hypothesis space. While these bounds have illuminated the problem at hand from different angles, their suggested complexity notions might appear seemingly unrelated, thereby restricting their high-level impact. In this study, we prove novel generalization bounds through the lens of rate-distortion theory, and explicitly relate the concepts of mutual information, compressibility, and fractal dimensions in a single mathematical framework. Our approach consists of (i) defining a generalized notion of compressibility by using source coding concepts, and (ii) showing that the `compression error rate' can be linked to the generalization error both in expectation and with high probability. We show that in the `lossless compression' setting, we recover and improve existing mutual information-based bounds, whereas a `lossy compression' scheme allows us to link generalization to the rate-distortion dimension -- a particular notion of fractal dimension. Our results bring a more unified perspective on generalization and open up several future research directions.

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