Uncertainty quantification (UQ) is a crucial but challenging task in many high-dimensional regression or learning problems to increase the confidence of a given predictor. We develop a new data-driven approach for UQ in regression that applies both to classical regression approaches such as the LASSO as well as to neural networks. One of the most notable UQ techniques is the debiased LASSO, which modifies the LASSO to allow for the construction of asymptotic confidence intervals by decomposing the estimation error into a Gaussian and an asymptotically vanishing bias component. However, in real-world problems with finite-dimensional data, the bias term is often too significant to be neglected, resulting in overly narrow confidence intervals. Our work rigorously addresses this issue and derives a data-driven adjustment that corrects the confidence intervals for a large class of predictors by estimating the means and variances of the bias terms from training data, exploiting high-dimensional concentration phenomena. This gives rise to non-asymptotic confidence intervals, which can help avoid overestimating uncertainty in critical applications such as MRI diagnosis. Importantly, our analysis extends beyond sparse regression to data-driven predictors like neural networks, enhancing the reliability of model-based deep learning. Our findings bridge the gap between established theory and the practical applicability of such debiased methods.

Over the last few years, debiased estimators have been proposed in order to establish rigorous confidence intervals for high-dimensional problems in machine learning and data science. The core argument is that the error of these estimators with respect to the ground truth can be expressed as a Gaussian variable plus a remainder term that vanishes as long as the dimension of the problem is sufficiently high. Thus, uncertainty quantification (UQ) can be performed exploiting the Gaussian model. Empirically, however, the remainder term cannot be neglected in many realistic situations of moderately-sized dimensions, in particular in certain structured measurement scenarios such as Magnetic Resonance Imaging (MRI). This, in turn, can downgrade the advantage of the UQ methods as compared to non-UQ approaches such as the standard LASSO. In this paper, we present a method to improve the debiased estimator by sampling without replacement. Our approach leverages recent results of ours on the structure of the random nature of certain sampling schemes showing how a transition between sampling with and without replacement can lead to a weighted reconstruction scheme with improved performance for the standard LASSO. In this paper, we illustrate how this reweighted sampling idea can also improve the debiased estimator and, consequently, provide a better method for UQ in Fourier imaging.

Recent works have shown that line search methods can speed up Stochastic Gradient Descent (SGD) and Adam in modern over-parameterized settings. However, existing line searches may take steps that are smaller than necessary since they require a monotone decrease of the (mini-)batch objective function. We explore nonmonotone line search methods to relax this condition and possibly accept larger step sizes. Despite the lack of a monotonic decrease, we prove the same fast rates of convergence as in the monotone case. Our experiments show that nonmonotone methods improve the speed of convergence and generalization properties of SGD/Adam even beyond the previous monotone line searches. We propose a POlyak NOnmonotone Stochastic (PoNoS) method, obtained by combining a nonmonotone line search with a Polyak initial step size. Furthermore, we develop a new resetting technique that in the majority of the iterations reduces the amount of backtracks to zero while still maintaining a large initial step size. To the best of our knowledge, a first runtime comparison shows that the epoch-wise advantage of line-search-based methods gets reflected in the overall computational time.

Model-based deep learning solutions to inverse problems have attracted increasing attention in recent years as they bridge state-of-the-art numerical performance with interpretability. In addition, the incorporated prior domain knowledge can make the training more efficient as the smaller number of parameters allows the training step to be executed with smaller datasets. Algorithm unrolling schemes stand out among these model-based learning techniques. Despite their rapid advancement and their close connection to traditional high-dimensional statistical methods, they lack certainty estimates and a theory for uncertainty quantification is still elusive. This work provides a step towards closing this gap proposing a rigorous way to obtain confidence intervals for the LISTA estimator.

In deep learning, it is common to use more network parameters than training points. In such scenarioof over-parameterization, there are usually multiple networks that achieve zero training error so that thetraining algorithm induces an implicit bias on the computed solution. In practice, (stochastic) gradientdescent tends to prefer solutions which generalize well, which provides a possible explanation of thesuccess of deep learning. In this paper we analyze the dynamics of gradient descent in the simplifiedsetting of linear networks and of an estimation problem. Although we are not in an overparameterizedscenario, our analysis nevertheless provides insights into the phenomenon of implicit bias. In fact, wederive a rigorous analysis of the dynamics of vanilla gradient descent, and characterize the dynamicalconvergence of the spectrum. We are able to accurately locate time intervals where the effective rankof the iterates is close to the effective rank of a low-rank projection of the ground-truth matrix. Inpractice, those intervals can be used as criteria for early stopping if a certain regularity is desired. Wealso provide empirical evidence for implicit bias in more general scenarios, such as matrix sensing andrandom initialization. This suggests that deep learning prefers trajectories whose complexity (measuredin terms of effective rank) is monotonically increasing, which we believe is a fundamental concept for thetheoretical understanding of deep learning.

Overparameterized models may have many interpolating solutions; implicit regularization refers to the hidden preference of a particular optimization method towards a certain interpolating solution among the many. A by now established line of work has shown that (stochastic) gradient descent tends to have an implicit bias towards low rank and/or sparse solutions when used to train deep linear networks, explaining to some extent why overparameterized neural network models trained by gradient descent tend to have good generalization performance in practice. However, existing theory for square-loss objectives often requires very small initialization of the trainable weights, which is at odds with the larger scale at which weights are initialized in practice for faster convergence and better generalization performance. In this paper, we aim to close this gap by incorporating and analyzing gradient descent with weight normalization, where the weight vector is reparamterized in terms of polar coordinates, and gradient descent is applied to the polar coordinates. By analyzing key invariants of the gradient flow and using Lojasiewicz's Theorem, we show that weight normalization also has an implicit bias towards sparse solutions in the diagonal linear model, but that in contrast to plain gradient descent, weight normalization enables a robust bias that persists even if the weights are initialized at practically large scale. Experiments suggest that the gains in both convergence speed and robustness of the implicit bias are improved dramatically by using weight normalization in overparameterized diagonal linear network models.

In deep learning it is common to overparameterize neural networks, that is, to use more parameters than training samples. Quite surprisingly training the neural network via (stochastic) gradient descent leads to models that generalize very well, while classical statistics would suggest overfitting. In order to gain understanding of this implicit bias phenomenon we study the special case of sparse recovery (compressed sensing) which is of interest on its own. More precisely, in order to reconstruct a vector from underdetermined linear measurements, we introduce a corresponding overparameterized square loss functional, where the vector to be reconstructed is deeply factorized into several vectors. We show that, if there exists an exact solution, vanilla gradient flow for the overparameterized loss functional converges to a good approximation of the solution of minimal $\ell_1$-norm. The latter is well-known to promote sparse solutions. As a by-product, our results significantly improve the sample complexity for compressed sensing via gradient flow/descent on overparameterized models derived in previous works. The theory accurately predicts the recovery rate in numerical experiments. Our proof relies on analyzing a certain Bregman divergence of the flow. This bypasses the obstacles caused by non-convexity and should be of independent interest.

Motivated by the learned iterative soft thresholding algorithm (LISTA), we introduce a general class of neural networks suitable for sparse reconstruction from few linear measurements. By allowing a wide range of degrees of weight-sharing between the layers, we enable a unified analysis for very different neural network types, ranging from recurrent ones to networks more similar to standard feedforward neural networks. Based on training samples, via empirical risk minimization we aim at learning the optimal network parameters and thereby the optimal network that reconstructs signals from their low-dimensional linear measurements. We derive generalization bounds by analyzing the Rademacher complexity of hypothesis classes consisting of such deep networks, that also take into account the thresholding parameters. We obtain estimates of the sample complexity that essentially depend only linearly on the number of parameters and on the depth. We apply our main result to obtain specific generalization bounds for several practical examples, including different algorithms for (implicit) dictionary learning, and convolutional neural networks.

We investigate the functioning of a classifying biological neural network from the perspective of statistical learning theory, modelled, in a simplified setting, as a continuous-time stochastic recurrent neural network (RNN) with identity activation function. In the purely stochastic (robust) regime, we give a generalisation error bound that holds with high probability, thus showing that the empirical risk minimiser is the best-in-class hypothesis. We show that RNNs retain a partial signature of the paths they are fed as the unique information exploited for training and classification tasks. We argue that these RNNs are easy to train and robust and back these observations with numerical experiments on both synthetic and real data.

We consider compressive sensing in the scenario where the sparsity basis (dictionary) is not known in advance, but needs to be learned from examples. Motivated by the well-known iterative soft thresholding algorithm for the reconstruction, we define deep networks parametrized by the dictionary, which we call deep thresholding networks. Based on training samples, we aim at learning the optimal sparsifying dictionary and thereby the optimal network that reconstructs signals from their low-dimensional linear measurements. The dictionary learning is performed via minimizing the empirical risk. We derive generalization bounds by analyzing the Rademacher complexity of hypothesis classes consisting of such deep networks. We obtain estimates of the sample complexity that depend only linearly on the dimensions and on the depth.