This paper provides statistical sample complexity bounds for score-matching and its applications in causal discovery. We demonstrate that accurate estimation of the score function is achievable by training a standard deep ReLU neural network using stochastic gradient descent. We establish bounds on the error rate of recovering causal relationships using the score-matching-based causal discovery method of Rolland et al. [2022], assuming a sufficiently good estimation of the score function. Finally, we analyze the upper bound of score-matching estimation within the score-based generative modeling, which has been applied for causal discovery but is also of independent interest within the domain of generative models.

We propose SWA-Gaussian (SWAG), a simple, scalable, and general purpose approach for uncertainty representation and calibration in deep learning. Stochastic Weight Averaging (SWA), which computes the first moment of stochastic gradient descent (SGD) iterates with a modified learning rate schedule, has recently been shown to improve generalization in deep learning. With SWAG, we fit a Gaussian using the SWA solution as the first moment and a low rank plus diagonal covariance also derived from the SGD iterates, forming an approximate posterior distribution over neural network weights; we then sample from this Gaussian distribution to perform Bayesian model averaging. We empirically find that SWAG approximates the shape of the true posterior, in accordance with results describing the stationary distribution of SGD iterates. Moreover, we demonstrate that SWAG performs well on a wide variety of tasks, including out of sample detection, calibration, and transfer learning, in comparison to many popular alternatives including variational inference, MC dropout, KFAC Laplace, and temperature scaling.

Neural networks are known to be susceptible to adversarial samples: small variations of natural examples crafted to deliberatelymislead the models. While they can be easily generated using gradient-based techniques in digital and physical scenarios, they often differ greatly from the actual data distribution of natural images, resulting in a trade-off between strength and stealthiness. In this paper, we propose a novel framework dubbed Diffusion-Based Projected Gradient Descent (Diff-PGD) for generating realistic adversarial samples. By exploiting a gradient guided by a diffusion model, Diff-PGD ensures that adversarial samples remain close to the original data distribution while maintaining their effectiveness. Moreover, our framework can be easily customized for specific tasks such as digital attacks, physical-world attacks, and style-based attacks.

A longstanding goal in deep learning research has been to precisely characterize training and generalization. However, the often complex loss landscapes of neural networks have made a theory of learning dynamics elusive. In this work, we show that for wide neural networks the learning dynamics simplify considerably and that, in the infinite width limit, they are governed by a linear model obtained from the first-order Taylor expansion of the network around its initial parameters. Furthermore, mirroring the correspondence between wide Bayesian neural networks and Gaussian processes, gradient-based training of wide neural networks with a squared loss produces test set predictions drawn from a Gaussian process with a particular compositional kernel. While these theoretical results are only exact in the infinite width limit, we nevertheless find excellent empirical agreement between the predictions of the original network and those of the linearized version even for finite practically-sized networks. This agreement is robust across different architectures, optimization methods, and loss functions.

In the theory of lossy compression, the rate-distortion (R-D) function R(D) describes how much a data source can be compressed (in bit-rate) at any given level of fidelity (distortion). Obtaining R(D) for a given data source establishes the fundamental performance limit for all compression algorithms. We propose a new method to estimate R(D) from the perspective of optimal transport. Unlike the classic Blahut--Arimoto algorithm which fixes the support of the reproduction distribution in advance, our Wasserstein gradient descent algorithm learns the support of the optimal reproduction distribution by moving particles. We prove its local convergence and analyze the sample complexity of our R-D estimator based on a connection to entropic optimal transport.

In this paper, we analyze the trajectories of stochastic gradient descent (SGD) with the aim of understanding their convergence properties in non-convex problems. We first show that the sequence of iterates generated by SGD remains bounded and converges with probability 1 under a very broad range of step-size schedules. Subsequently, we prove that the algorithm's rate of convergence to local minimizers with a positive-definite Hessian is O(1/n p) if the method is run with a Θ(1/n p) step-size. This provides an important guideline for tuning the algorithm's step-size as it suggests that a cool-down phase with a vanishing step-size could lead to significant performance gains; we demonstrate this heuristic using ResNet architectures on CIFAR. Finally, going beyond existing positive probability guarantees, we show that SGD avoids strict saddle points/manifolds with probability 1 for the entire spectrum of step-size policies considered.

In this paper, we consider the problem of computing the barycenter of a set of probability distributions under the Sinkhorn divergence. This problem has recently found applications across various domains, including graphics, learning, and vision, as it provides a meaningful mechanism to aggregate knowledge. Unlike previous approaches which directly operate in the space of probability measures, we recast the Sinkhorn barycenter problem as an instance of unconstrained functional optimization and develop a novel functional gradient descent method named \texttt{Sinkhorn Descent} (\texttt{SD}). We prove that \texttt{SD} converges to a stationary point at a sublinear rate, and under reasonable assumptions, we further show that it asymptotically finds a global minimizer of the Sinkhorn barycenter problem. Moreover, by providing a mean-field analysis, we show that \texttt{SD} preserves the {weak convergence} of empirical measures.

This is a canonical problem that admits two difficulties in optimization: 1) non-convexity and 2) non-smoothness (due to unbalancedness of \mathbf{U} and \mathbf{V}). This is also a prototype for more complex problems such as asymmetric matrix sensing and matrix completion. Despite being non-convex and non-smooth, it has been observed empirically that the randomly initialized gradient descent algorithm can solve this problem in polynomial time. Existing theories to explain this phenomenon all require artificial modifications of the algorithm, such as adding noise in each iteration and adding a balancing regularizer to balance the \mathbf{U} and \mathbf{V} .This paper presents the first proof that shows randomly initialized gradient descent converges to a global minimum of the asymmetric low-rank factorization problem with a polynomial rate. For the proof, we develop 1) a new symmetrization technique to capture the magnitudes of the symmetry and asymmetry, and 2) a quantitative perturbation analysis to approximate matrix derivatives.

Over the last decade, a single algorithm has changed many facets of our lives - Stochastic Gradient Descent (SGD). In the era of ever decreasing loss functions, SGD and its various offspring have become the go-to optimization tool in machine learning and are a key component of the success of deep neural networks (DNNs). While SGD is guaranteed to converge to a local optimum (under loose assumptions), in some cases it may matter which local optimum is found, and this is often context-dependent. Examples frequently arise in machine learning, from shape-versus-texture-features to ensemble methods and zero-shot coordination. In these settings, there are desired solutions which SGD on standard' loss functions will not find, since it instead converges to theeasy' solutions.

We study the algorithmic stability of Nesterov's accelerated gradient method. For convex quadratic objectives, Chen et al. (2018) proved that the uniform stability of the method grows quadratically with the number of optimization steps, and conjectured that the same is true for the general convex and smooth case. We disprove this conjecture and show, for two notions of algorithmic stability (including uniform stability), that the stability of Nesterov's accelerated method in fact deteriorates exponentially fast with the number of gradient steps. This stands in sharp contrast to the bounds in the quadratic case, but also to known results for non-accelerated gradient methods where stability typically grows linearly with the number of steps.