Get our free extension to see links to code for papers anywhere online!Free add-on: code for papers everywhere!Free add-on: See code for papers anywhere!

DI-ENS

Abstract:Physics-informed machine learning combines the expressiveness of data-based approaches with the interpretability of physical models. In this context, we consider a general regression problem where the empirical risk is regularized by a partial differential equation that quantifies the physical inconsistency. We prove that for linear differential priors, the problem can be formulated as a kernel regression task. Taking advantage of kernel theory, we derive convergence rates for the minimizer of the regularized risk and show that it converges at least at the Sobolev minimax rate. However, faster rates can be achieved, depending on the physical error. This principle is illustrated with a one-dimensional example, supporting the claim that regularizing the empirical risk with physical information can be beneficial to the statistical performance of estimators.

Via

Abstract:Calibration of machine learning classifiers is necessary to obtain reliable and interpretable predictions, bridging the gap between model confidence and actual probabilities. One prominent technique, isotonic regression (IR), aims at calibrating binary classifiers by minimizing the cross entropy on a calibration set via monotone transformations. IR acts as an adaptive binning procedure, which allows achieving a calibration error of zero, but leaves open the issue of the effect on performance. In this paper, we first prove that IR preserves the convex hull of the ROC curve -- an essential performance metric for binary classifiers. This ensures that a classifier is calibrated while controlling for overfitting of the calibration set. We then present a novel generalization of isotonic regression to accommodate classifiers with K classes. Our method constructs a multidimensional adaptive binning scheme on the probability simplex, again achieving a multi-class calibration error equal to zero. We regularize this algorithm by imposing a form of monotony that preserves the K-dimensional ROC surface of the classifier. We show empirically that this general monotony criterion is effective in striking a balance between reducing cross entropy loss and avoiding overfitting of the calibration set.

Via

Abstract:We study the training dynamics of a shallow neural network with quadratic activation functions and quadratic cost in a teacher-student setup. In line with previous works on the same neural architecture, the optimization is performed following the gradient flow on the population risk, where the average over data points is replaced by the expectation over their distribution, assumed to be Gaussian.We first derive convergence properties for the gradient flow and quantify the overparameterization that is necessary to achieve a strong signal recovery. Then, assuming that the teachers and the students at initialization form independent orthonormal families, we derive a high-dimensional limit for the flow and show that the minimal overparameterization is sufficient for strong recovery. We verify by numerical experiments that these results hold for more general initializations.

Via

Figures and Tables:

Abstract:State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is an effective approach to defend against it. Formulated as a min-max problem, it searches for the best solution when the training data were corrupted by the worst-case attacks. Linear models are among the simple models where vulnerabilities can be observed and are the focus of our study. In this case, adversarial training leads to a convex optimization problem which can be formulated as the minimization of a finite sum. We provide a comparative analysis between the solution of adversarial training in linear regression and other regularization methods. Our main findings are that: (A) Adversarial training yields the minimum-norm interpolating solution in the overparameterized regime (more parameters than data), as long as the maximum disturbance radius is smaller than a threshold. And, conversely, the minimum-norm interpolator is the solution to adversarial training with a given radius. (B) Adversarial training can be equivalent to parameter shrinking methods (ridge regression and Lasso). This happens in the underparametrized region, for an appropriate choice of adversarial radius and zero-mean symmetrically distributed covariates. (C) For $\ell_\infty$-adversarial training -- as in square-root Lasso -- the choice of adversarial radius for optimal bounds does not depend on the additive noise variance. We confirm our theoretical findings with numerical examples.

Via

Abstract:In estimation theory, the Kushner equation provides the evolution of the probability density of the state of a dynamical system given continuous-time observations. Building upon our recent work, we propose a new way to approximate the solution of the Kushner equation through tractable variational Gaussian approximations of two proximal losses associated with the propagation and Bayesian update of the probability density. The first is a proximal loss based on the Wasserstein metric and the second is a proximal loss based on the Fisher metric. The solution to this last proximal loss is given by implicit updates on the mean and covariance that we proposed earlier. These two variational updates can be fused and shown to satisfy a set of stochastic differential equations on the Gaussian's mean and covariance matrix. This Gaussian flow is consistent with the Kalman-Bucy and Riccati flows in the linear case and generalize them in the nonlinear one.

Via

Figures and Tables:

Abstract:Representation learning plays a crucial role in automated feature selection, particularly in the context of high-dimensional data, where non-parametric methods often struggle. In this study, we focus on supervised learning scenarios where the pertinent information resides within a lower-dimensional linear subspace of the data, namely the multi-index model. If this subspace were known, it would greatly enhance prediction, computation, and interpretation. To address this challenge, we propose a novel method for linear feature learning with non-parametric prediction, which simultaneously estimates the prediction function and the linear subspace. Our approach employs empirical risk minimisation, augmented with a penalty on function derivatives, ensuring versatility. Leveraging the orthogonality and rotation invariance properties of Hermite polynomials, we introduce our estimator, named RegFeaL. By utilising alternative minimisation, we iteratively rotate the data to improve alignment with leading directions and accurately estimate the relevant dimension in practical settings. We establish that our method yields a consistent estimator of the prediction function with explicit rates. Additionally, we provide empirical results demonstrating the performance of RegFeaL in various experiments.

Via

Figures and Tables:

Abstract:Markov chain Monte Carlo (MCMC) is a class of general-purpose algorithms for sampling from unnormalized densities. There are two well-known problems facing MCMC in high dimensions: (i) The distributions of interest are concentrated in pockets separated by large regions with small probability mass, and (ii) The log-concave pockets themselves are typically ill-conditioned. We introduce a framework to tackle these problems using isotropic Gaussian smoothing. We prove one can always decompose sampling from a density (minimal assumptions made on the density) into a sequence of sampling from log-concave conditional densities via accumulation of noisy measurements with equal noise levels. This construction keeps track of a history of samples, making it non-Markovian as a whole, but the history only shows up in the form of an empirical mean, making the memory footprint minimal. Our sampling algorithm generalizes walk-jump sampling [1]. The "walk" phase becomes a (non-Markovian) chain of log-concave Langevin chains. The "jump" from the accumulated measurements is obtained by empirical Bayes. We study our sampling algorithm quantitatively using the 2-Wasserstein metric and compare it with various Langevin MCMC algorithms. We also report a remarkable capacity of our algorithm to "tunnel" between modes of a distribution.

Via

Figures and Tables:

Abstract:In this paper, we explore the structure of the penultimate Gram matrix in deep neural networks, which contains the pairwise inner products of outputs corresponding to a batch of inputs. In several architectures it has been observed that this Gram matrix becomes degenerate with depth at initialization, which dramatically slows training. Normalization layers, such as batch or layer normalization, play a pivotal role in preventing the rank collapse issue. Despite promising advances, the existing theoretical results (i) do not extend to layer normalization, which is widely used in transformers, (ii) can not characterize the bias of normalization quantitatively at finite depth. To bridge this gap, we provide a proof that layer normalization, in conjunction with activation layers, biases the Gram matrix of a multilayer perceptron towards isometry at an exponential rate with depth at initialization. We quantify this rate using the Hermite expansion of the activation function, highlighting the importance of higher order ($\ge 2$) Hermite coefficients in the bias towards isometry.

Via

Abstract:We consider the problem of generative modeling based on smoothing an unknown density of interest in $\mathbb{R}^d$ using factorial kernels with $M$ independent Gaussian channels with equal noise levels introduced by Saremi and Srivastava (2022). First, we fully characterize the time complexity of learning the resulting smoothed density in $\mathbb{R}^{Md}$, called M-density, by deriving a universal form for its parametrization in which the score function is by construction permutation equivariant. Next, we study the time complexity of sampling an M-density by analyzing its condition number for Gaussian distributions. This spectral analysis gives a geometric insight on the "shape" of M-densities as one increases $M$. Finally, we present results on the sample quality in this class of generative models on the CIFAR-10 dataset where we report Fr\'echet inception distances (14.15), notably obtained with a single noise level on long-run fast-mixing MCMC chains.

Via

Abstract:Mirror descent, introduced by Nemirovski and Yudin in the 1970s, is a primal-dual convex optimization method that can be tailored to the geometry of the optimization problem at hand through the choice of a strongly convex potential function. It arises as a basic primitive in a variety of applications, including large-scale optimization, machine learning, and control. This paper proposes a variational formulation of mirror descent and of its stochastic variant, mirror Langevin dynamics. The main idea, inspired by the classic work of Brezis and Ekeland on variational principles for gradient flows, is to show that mirror descent emerges as a closed-loop solution for a certain optimal control problem, and the Bellman value function is given by the Bregman divergence between the initial condition and the global minimizer of the objective function.

Via