arXiv subjects

Umut Şimşekli

Publications and source records attributed to Umut Şimşekli.

At least 37 records · Page 2Linked to original sources

arXiv2022

Statistical and Topological Properties of Sliced Probability Divergences

The idea of slicing divergences has been proven to be successful when comparing two probability measures in various machine learning applications including generative modeling, and consists in computing the expected value of a `base divergence' between one-dimensional random projections of the two measures. However, the topological, statistical, and computational consequences of this technique have not yet been well-established. In this paper, we aim at bridging this gap and derive various theoretical properties of sliced probability divergences. First, we show that slicing preserves the metric axioms and the weak continuity of the divergence, implying that the sliced divergence will share similar topological properties. We then precise the results in the case where the base divergence belongs to the class of integral probability metrics. On the other hand, we establish that, under mild conditions, the sample complexity of a sliced divergence does not depend on the problem dimension. We finally apply our general results to several base divergences, and illustrate our theory on both synthetic and real data experiments.

stat.ML↗

arXiv2022

Fast Approximation of the Sliced-Wasserstein Distance Using Concentration of Random Projections

The Sliced-Wasserstein distance (SW) is being increasingly used in machine learning applications as an alternative to the Wasserstein distance and offers significant computational and statistical benefits. Since it is defined as an expectation over random projections, SW is commonly approximated by Monte Carlo. We adopt a new perspective to approximate SW by making use of the concentration of measure phenomenon: under mild assumptions, one-dimensional projections of a high-dimensional random vector are approximately Gaussian. Based on this observation, we develop a simple deterministic approximation for SW. Our method does not require sampling a number of random projections, and is therefore both accurate and easy to use compared to the usual Monte Carlo approximation. We derive nonasymptotical guarantees for our approach, and show that the approximation error goes to zero as the dimension increases, under a weak dependence condition on the data distribution. We validate our theoretical findings on synthetic datasets, and illustrate the proposed approximation on a generative modeling problem.

stat.ML↗

arXiv2021

Intrinsic Dimension, Persistent Homology and Generalization in Neural Networks

Disobeying the classical wisdom of statistical learning theory, modern deep neural networks generalize well even though they typically contain millions of parameters. Recently, it has been shown that the trajectories of iterative optimization algorithms can possess fractal structures, and their generalization error can be formally linked to the complexity of such fractals. This complexity is measured by the fractal's intrinsic dimension, a quantity usually much smaller than the number of parameters in the network. Even though this perspective provides an explanation for why overparametrized networks would not overfit, computing the intrinsic dimension (e.g., for monitoring generalization during training) is a notoriously difficult task, where existing methods typically fail even in moderate ambient dimensions. In this study, we consider this problem from the lens of topological data analysis (TDA) and develop a generic computational tool that is built on rigorous mathematical foundations. By making a novel connection between learning theory and TDA, we first illustrate that the generalization error can be equivalently bounded in terms of a notion called the 'persistent homology dimension' (PHD), where, compared with prior work, our approach does not require any additional geometrical or statistical assumptions on the training dynamics. Then, by utilizing recently established theoretical results and TDA tools, we develop an efficient algorithm to estimate PHD in the scale of modern deep neural networks and further provide visualization tools to help understand generalization in deep learning. Our experiments show that the proposed approach can efficiently compute a network's intrinsic dimension in a variety of settings, which is predictive of the generalization error.

cs.LG↗

arXiv2021

The Heavy-Tail Phenomenon in SGD

In recent years, various notions of capacity and complexity have been proposed for characterizing the generalization properties of stochastic gradient descent (SGD) in deep learning. Some of the popular notions that correlate well with the performance on unseen data are (i) the `flatness' of the local minimum found by SGD, which is related to the eigenvalues of the Hessian, (ii) the ratio of the stepsize $η$ to the batch-size $b$, which essentially controls the magnitude of the stochastic gradient noise, and (iii) the `tail-index', which measures the heaviness of the tails of the network weights at convergence. In this paper, we argue that these three seemingly unrelated perspectives for generalization are deeply linked to each other. We claim that depending on the structure of the Hessian of the loss at the minimum, and the choices of the algorithm parameters $η$ and $b$, the SGD iterates will converge to a \emph{heavy-tailed} stationary distribution. We rigorously prove this claim in the setting of quadratic optimization: we show that even in a simple linear regression problem with independent and identically distributed data whose distribution has finite moments of all order, the iterates can be heavy-tailed with infinite variance. We further characterize the behavior of the tails with respect to algorithm parameters, the dimension, and the curvature. We then translate our results into insights about the behavior of SGD in deep learning. We support our theory with experiments conducted on synthetic data, fully connected, and convolutional neural networks.

math.OC↗

arXiv2021

Asymmetric Heavy Tails and Implicit Bias in Gaussian Noise Injections

Gaussian noise injections (GNIs) are a family of simple and widely-used regularisation methods for training neural networks, where one injects additive or multiplicative Gaussian noise to the network activations at every iteration of the optimisation algorithm, which is typically chosen as stochastic gradient descent (SGD). In this paper we focus on the so-called `implicit effect' of GNIs, which is the effect of the injected noise on the dynamics of SGD. We show that this effect induces an asymmetric heavy-tailed noise on SGD gradient updates. In order to model this modified dynamics, we first develop a Langevin-like stochastic differential equation that is driven by a general family of asymmetric heavy-tailed noise. Using this model we then formally prove that GNIs induce an `implicit bias', which varies depending on the heaviness of the tails and the level of asymmetry. Our empirical results confirm that different types of neural networks trained with GNIs are well-modelled by the proposed dynamics and that the implicit effect of these injections induces a bias that degrades the performance of networks.

stat.ML↗

arXiv2021

Relative Positional Encoding for Transformers with Linear Complexity

Recent advances in Transformer models allow for unprecedented sequence lengths, due to linear space and time complexity. In the meantime, relative positional encoding (RPE) was proposed as beneficial for classical Transformers and consists in exploiting lags instead of absolute positions for inference. Still, RPE is not available for the recent linear-variants of the Transformer, because it requires the explicit computation of the attention matrix, which is precisely what is avoided by such methods. In this paper, we bridge this gap and present Stochastic Positional Encoding as a way to generate PE that can be used as a replacement to the classical additive (sinusoidal) PE and provably behaves like RPE. The main theoretical contribution is to make a connection between positional encoding and cross-covariance structures of correlated Gaussian processes. We illustrate the performance of our approach on the Long-Range Arena benchmark and on music generation.

cs.LG↗

arXiv2021

Self-Supervised VQ-VAE for One-Shot Music Style Transfer

Neural style transfer, allowing to apply the artistic style of one image to another, has become one of the most widely showcased computer vision applications shortly after its introduction. In contrast, related tasks in the music audio domain remained, until recently, largely untackled. While several style conversion methods tailored to musical signals have been proposed, most lack the 'one-shot' capability of classical image style transfer algorithms. On the other hand, the results of existing one-shot audio style transfer methods on musical inputs are not as compelling. In this work, we are specifically interested in the problem of one-shot timbre transfer. We present a novel method for this task, based on an extension of the vector-quantized variational autoencoder (VQ-VAE), along with a simple self-supervised learning strategy designed to obtain disentangled representations of timbre and pitch. We evaluate the method using a set of objective metrics and show that it is able to outperform selected baselines.

cs.SD↗

arXiv2021

Fractal Structure and Generalization Properties of Stochastic Optimization Algorithms

Understanding generalization in deep learning has been one of the major challenges in statistical learning theory over the last decade. While recent work has illustrated that the dataset and the training algorithm must be taken into account in order to obtain meaningful generalization bounds, it is still theoretically not clear which properties of the data and the algorithm determine the generalization performance. In this study, we approach this problem from a dynamical systems theory perspective and represent stochastic optimization algorithms as random iterated function systems (IFS). Well studied in the dynamical systems literature, under mild assumptions, such IFSs can be shown to be ergodic with an invariant measure that is often supported on sets with a fractal structure. As our main contribution, we prove that the generalization error of a stochastic optimization algorithm can be bounded based on the `complexity' of the fractal structure that underlies its invariant measure. Leveraging results from dynamical systems theory, we show that the generalization error can be explicitly linked to the choice of the algorithm (e.g., stochastic gradient descent -- SGD), algorithm hyperparameters (e.g., step-size, batch-size), and the geometry of the problem (e.g., Hessian of the loss). We further specialize our results to specific problems (e.g., linear/logistic regression, one hidden-layered neural networks) and algorithms (e.g., SGD and preconditioned variants), and obtain analytical estimates for our bound.For modern neural networks, we develop an efficient algorithm to compute the developed bound and support our theory with various experiments on neural networks.

stat.ML↗

arXiv2021

Heavy Tails in SGD and Compressibility of Overparametrized Neural Networks

Neural network compression techniques have become increasingly popular as they can drastically reduce the storage and computation requirements for very large networks. Recent empirical studies have illustrated that even simple pruning strategies can be surprisingly effective, and several theoretical studies have shown that compressible networks (in specific senses) should achieve a low generalization error. Yet, a theoretical characterization of the underlying cause that makes the networks amenable to such simple compression schemes is still missing. In this study, we address this fundamental question and reveal that the dynamics of the training algorithm has a key role in obtaining such compressible networks. Focusing our attention on stochastic gradient descent (SGD), our main contribution is to link compressibility to two recently established properties of SGD: (i) as the network size goes to infinity, the system can converge to a mean-field limit, where the network weights behave independently, (ii) for a large step-size/batch-size ratio, the SGD iterates can converge to a heavy-tailed stationary distribution. In the case where these two phenomena occur simultaneously, we prove that the networks are guaranteed to be '$\ell_p$-compressible', and the compression errors of different pruning techniques (magnitude, singular value, or node pruning) become arbitrarily small as the network size increases. We further prove generalization bounds adapted to our theoretical framework, which indeed confirm that the generalization error will be lower for more compressible networks. Our theory and numerical study on various neural networks show that large step-size/batch-size ratios introduce heavy-tails, which, in combination with overparametrization, result in compressibility.

stat.ML↗

arXiv2021

Hausdorff Dimension, Heavy Tails, and Generalization in Neural Networks

Despite its success in a wide range of applications, characterizing the generalization properties of stochastic gradient descent (SGD) in non-convex deep learning problems is still an important challenge. While modeling the trajectories of SGD via stochastic differential equations (SDE) under heavy-tailed gradient noise has recently shed light over several peculiar characteristics of SGD, a rigorous treatment of the generalization properties of such SDEs in a learning theoretical framework is still missing. Aiming to bridge this gap, in this paper, we prove generalization bounds for SGD under the assumption that its trajectories can be well-approximated by a \emph{Feller process}, which defines a rich class of Markov processes that include several recent SDE representations (both Brownian or heavy-tailed) as its special case. We show that the generalization error can be controlled by the \emph{Hausdorff dimension} of the trajectories, which is intimately linked to the tail behavior of the driving process. Our results imply that heavier-tailed processes should achieve better generalization; hence, the tail-index of the process can be used as a notion of "capacity metric". We support our theory with experiments on deep neural networks illustrating that the proposed capacity metric accurately estimates the generalization error, and it does not necessarily grow with the number of parameters unlike the existing capacity metrics in the literature.

stat.ML↗

arXiv2021

Convergence Rates of Stochastic Gradient Descent under Infinite Noise Variance

Recent studies have provided both empirical and theoretical evidence illustrating that heavy tails can emerge in stochastic gradient descent (SGD) in various scenarios. Such heavy tails potentially result in iterates with diverging variance, which hinders the use of conventional convergence analysis techniques that rely on the existence of the second-order moments. In this paper, we provide convergence guarantees for SGD under a state-dependent and heavy-tailed noise with a potentially infinite variance, for a class of strongly convex objectives. In the case where the $p$-th moment of the noise exists for some $p\in [1,2)$, we first identify a condition on the Hessian, coined '$p$-positive (semi-)definiteness', that leads to an interesting interpolation between positive semi-definite matrices ($p=2$) and diagonally dominant matrices with non-negative diagonal entries ($p=1$). Under this condition, we then provide a convergence rate for the distance to the global optimum in $L^p$. Furthermore, we provide a generalized central limit theorem, which shows that the properly scaled Polyak-Ruppert averaging converges weakly to a multivariate $α$-stable random vector. Our results indicate that even under heavy-tailed noise with infinite variance, SGD can converge to the global optimum without necessitating any modification neither to the loss function or to the algorithm itself, as typically required in robust statistics. We demonstrate the implications of our results to applications such as linear regression and generalized linear models subject to heavy-tailed data.

math.OC↗

arXiv2021

Explicit Regularisation in Gaussian Noise Injections

We study the regularisation induced in neural networks by Gaussian noise injections (GNIs). Though such injections have been extensively studied when applied to data, there have been few studies on understanding the regularising effect they induce when applied to network activations. Here we derive the explicit regulariser of GNIs, obtained by marginalising out the injected noise, and show that it penalises functions with high-frequency components in the Fourier domain; particularly in layers closer to a neural network's output. We show analytically and empirically that such regularisation produces calibrated classifiers with large classification margins.

stat.ML↗

arXiv2020

Fractional Underdamped Langevin Dynamics: Retargeting SGD with Momentum under Heavy-Tailed Gradient Noise

Stochastic gradient descent with momentum (SGDm) is one of the most popular optimization algorithms in deep learning. While there is a rich theory of SGDm for convex problems, the theory is considerably less developed in the context of deep learning where the problem is non-convex and the gradient noise might exhibit a heavy-tailed behavior, as empirically observed in recent studies. In this study, we consider a \emph{continuous-time} variant of SGDm, known as the underdamped Langevin dynamics (ULD), and investigate its asymptotic properties under heavy-tailed perturbations. Supported by recent studies from statistical physics, we argue both theoretically and empirically that the heavy-tails of such perturbations can result in a bias even when the step-size is small, in the sense that \emph{the optima of stationary distribution} of the dynamics might not match \emph{the optima of the cost function to be optimized}. As a remedy, we develop a novel framework, which we coin as \emph{fractional} ULD (FULD), and prove that FULD targets the so-called Gibbs distribution, whose optima exactly match the optima of the original cost. We observe that the Euler discretization of FULD has noteworthy algorithmic similarities with \emph{natural gradient} methods and \emph{gradient clipping}, bringing a new perspective on understanding their role in deep learning. We support our theory with experiments conducted on a synthetic model and neural networks.

stat.ML↗

arXiv2020

Synchronizing Probability Measures on Rotations via Optimal Transport

We introduce a new paradigm, $\textit{measure synchronization}$, for synchronizing graphs with measure-valued edges. We formulate this problem as maximization of the cycle-consistency in the space of probability measures over relative rotations. In particular, we aim at estimating marginal distributions of absolute orientations by synchronizing the $\textit{conditional}$ ones, which are defined on the Riemannian manifold of quaternions. Such graph optimization on distributions-on-manifolds enables a natural treatment of multimodal hypotheses, ambiguities and uncertainties arising in many computer vision applications such as SLAM, SfM, and object pose estimation. We first formally define the problem as a generalization of the classical rotation graph synchronization, where in our case the vertices denote probability measures over rotations. We then measure the quality of the synchronization by using Sinkhorn divergences, which reduces to other popular metrics such as Wasserstein distance or the maximum mean discrepancy as limit cases. We propose a nonparametric Riemannian particle optimization approach to solve the problem. Even though the problem is non-convex, by drawing a connection to the recently proposed sparse optimization methods, we show that the proposed algorithm converges to the global optimum in a special case of the problem under certain conditions. Our qualitative and quantitative experiments show the validity of our approach and we bring in new perspectives to the study of synchronization.

cs.CV↗

arXiv2020

Asymptotic Guarantees for Learning Generative Models with the Sliced-Wasserstein Distance

Minimum expected distance estimation (MEDE) algorithms have been widely used for probabilistic models with intractable likelihood functions and they have become increasingly popular due to their use in implicit generative modeling (e.g. Wasserstein generative adversarial networks, Wasserstein autoencoders). Emerging from computational optimal transport, the Sliced-Wasserstein (SW) distance has become a popular choice in MEDE thanks to its simplicity and computational benefits. While several studies have reported empirical success on generative modeling with SW, the theoretical properties of such estimators have not yet been established. In this study, we investigate the asymptotic properties of estimators that are obtained by minimizing SW. We first show that convergence in SW implies weak convergence of probability measures in general Wasserstein spaces. Then we show that estimators obtained by minimizing SW (and also an approximate version of SW) are asymptotically consistent. We finally prove a central limit theorem, which characterizes the asymptotic distribution of the estimators and establish a convergence rate of $\sqrt{n}$, where $n$ denotes the number of observed data points. We illustrate the validity of our theory on both synthetic data and neural networks.

stat.ML↗

arXiv2020

Approximate Bayesian Computation with the Sliced-Wasserstein Distance

Approximate Bayesian Computation (ABC) is a popular method for approximate inference in generative models with intractable but easy-to-sample likelihood. It constructs an approximate posterior distribution by finding parameters for which the simulated data are close to the observations in terms of summary statistics. These statistics are defined beforehand and might induce a loss of information, which has been shown to deteriorate the quality of the approximation. To overcome this problem, Wasserstein-ABC has been recently proposed, and compares the datasets via the Wasserstein distance between their empirical distributions, but does not scale well to the dimension or the number of samples. We propose a new ABC technique, called Sliced-Wasserstein ABC and based on the Sliced-Wasserstein distance, which has better computational and statistical properties. We derive two theoretical results showing the asymptotical consistency of our approach, and we illustrate its advantages on synthetic data and an image denoising task.

stat.CO↗

arXiv2019

On the Heavy-Tailed Theory of Stochastic Gradient Descent for Deep Neural Networks

The gradient noise (GN) in the stochastic gradient descent (SGD) algorithm is often considered to be Gaussian in the large data regime by assuming that the \emph{classical} central limit theorem (CLT) kicks in. This assumption is often made for mathematical convenience, since it enables SGD to be analyzed as a stochastic differential equation (SDE) driven by a Brownian motion. We argue that the Gaussianity assumption might fail to hold in deep learning settings and hence render the Brownian motion-based analyses inappropriate. Inspired by non-Gaussian natural phenomena, we consider the GN in a more general context and invoke the \emph{generalized} CLT, which suggests that the GN converges to a \emph{heavy-tailed} $α$-stable random vector, where \emph{tail-index} $α$ determines the heavy-tailedness of the distribution. Accordingly, we propose to analyze SGD as a discretization of an SDE driven by a Lévy motion. Such SDEs can incur `jumps', which force the SDE and its discretization \emph{transition} from narrow minima to wider minima, as proven by existing metastability theory and the extensions that we proved recently. In this study, under the $α$-stable GN assumption, we further establish an explicit connection between the convergence rate of SGD to a local minimum and the tail-index $α$. To validate the $α$-stable assumption, we conduct experiments on common deep learning scenarios and show that in all settings, the GN is highly non-Gaussian and admits heavy-tails. We investigate the tail behavior in varying network architectures and sizes, loss functions, and datasets. Our results open up a different perspective and shed more light on the belief that SGD prefers wide minima.

stat.ML↗

arXiv2019

Supervised Symbolic Music Style Translation Using Synthetic Data

Research on style transfer and domain translation has clearly demonstrated the ability of deep learning-based algorithms to manipulate images in terms of artistic style. More recently, several attempts have been made to extend such approaches to music (both symbolic and audio) in order to enable transforming musical style in a similar manner. In this study, we focus on symbolic music with the goal of altering the 'style' of a piece while keeping its original 'content'. As opposed to the current methods, which are inherently restricted to be unsupervised due to the lack of 'aligned' data (i.e. the same musical piece played in multiple styles), we develop the first fully supervised algorithm for this task. At the core of our approach lies a synthetic data generation scheme which allows us to produce virtually unlimited amounts of aligned data, and hence avoid the above issue. In view of this data generation scheme, we propose an encoder-decoder model for translating symbolic music accompaniments between a number of different styles. Our experiments show that our models, although trained entirely on synthetic data, are capable of producing musically meaningful accompaniments even for real (non-synthetic) MIDI recordings.

cs.SD↗