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We revisit the method of mixture technique, also known as the Laplace method, to study the concentration phenomenon in generic exponential families. Combining the properties of Bregman divergence associated with log-partition function of the family with the method of mixtures for super-martingales, we establish a generic bound controlling the Bregman divergence between the parameter of the family and a finite sample estimate of the parameter. Our bound is time-uniform and makes appear a quantity extending the classical information gain to exponential families, which we call the Bregman information gain. For the practitioner, we instantiate this novel bound to several classical families, e.g., Gaussian, Bernoulli, Exponential, Weibull, Pareto, Poisson and Chi-square yielding explicit forms of the confidence sets and the Bregman information gain. We further numerically compare the resulting confidence bounds to state-of-the-art alternatives for time-uniform concentration and show that this novel method yields competitive results. Finally, we highlight the benefit of our concentration bounds on some illustrative applications.

This work focuses on the problem of hyper-parameter tuning (HPT) for robust (i.e., adversarially trained) models, shedding light on the new challenges and opportunities arising during the HPT process for robust models. To this end, we conduct an extensive experimental study based on 3 popular deep models, in which we explore exhaustively 9 (discretized) HPs, 2 fidelity dimensions, and 2 attack bounds, for a total of 19208 configurations (corresponding to 50 thousand GPU hours). Through this study, we show that the complexity of the HPT problem is further exacerbated in adversarial settings due to the need to independently tune the HPs used during standard and adversarial training: succeeding in doing so (i.e., adopting different HP settings in both phases) can lead to a reduction of up to 80% and 43% of the error for clean and adversarial inputs, respectively. On the other hand, we also identify new opportunities to reduce the cost of HPT for robust models. Specifically, we propose to leverage cheap adversarial training methods to obtain inexpensive, yet highly correlated, estimations of the quality achievable using state-of-the-art methods. We show that, by exploiting this novel idea in conjunction with a recent multi-fidelity optimizer (taKG), the efficiency of the HPT process can be enhanced by up to 2.1x.

We revisit the generalized hyperbolic (GH) distribution and its nested models. These include widely used parametric choices like the multivariate normal, skew-t, Laplace, and several others. We also introduce the multiple-choice LASSO, a novel penalized method for choosing among alternative constraints on the same parameter. A hierarchical multiple-choice LASSO penalized likelihood is optimized to perform simultaneous model selection and inference within the GH family. We illustrate our approach through a simulation study. The methodology proposed in this paper has been implemented in R functions which are available as supplementary material.

In this paper, we provide a novel framework for the analysis of generalization error of first-order optimization algorithms for statistical learning when the gradient can only be accessed through partial observations given by an oracle. Our analysis relies on the regularity of the gradient w.r.t. the data samples, and allows to derive near matching upper and lower bounds for the generalization error of multiple learning problems, including supervised learning, transfer learning, robust learning, distributed learning and communication efficient learning using gradient quantization. These results hold for smooth and strongly-convex optimization problems, as well as smooth non-convex optimization problems verifying a Polyak-Lojasiewicz assumption. In particular, our upper and lower bounds depend on a novel quantity that extends the notion of conditional standard deviation, and is a measure of the extent to which the gradient can be approximated by having access to the oracle. As a consequence, our analysis provides a precise meaning to the intuition that optimization of the statistical learning objective is as hard as the estimation of its gradient. Finally, we show that, in the case of standard supervised learning, mini-batch gradient descent with increasing batch sizes and a warm start can reach a generalization error that is optimal up to a multiplicative factor, thus motivating the use of this optimization scheme in practical applications.

The Gaussian kernel and its traditional normalizations (e.g., row-stochastic) are popular approaches for assessing similarities between data points. Yet, they can be inaccurate under high-dimensional noise, especially if the noise magnitude varies considerably across the data, e.g., under heteroskedasticity or outliers. In this work, we investigate a more robust alternative -- the doubly stochastic normalization of the Gaussian kernel. We consider a setting where points are sampled from an unknown density on a low-dimensional manifold embedded in high-dimensional space and corrupted by possibly strong, non-identically distributed, sub-Gaussian noise. We establish that the doubly stochastic affinity matrix and its scaling factors concentrate around certain population forms, and provide corresponding finite-sample probabilistic error bounds. We then utilize these results to develop several tools for robust inference under general high-dimensional noise. First, we derive a robust density estimator that reliably infers the underlying sampling density and can substantially outperform the standard kernel density estimator under heteroskedasticity and outliers. Second, we obtain estimators for the pointwise noise magnitudes, the pointwise signal magnitudes, and the pairwise Euclidean distances between clean data points. Lastly, we derive robust graph Laplacian normalizations that accurately approximate various manifold Laplacians, including the Laplace Beltrami operator, improving over traditional normalizations in noisy settings. We exemplify our results in simulations and on real single-cell RNA-sequencing data. For the latter, we show that in contrast to traditional methods, our approach is robust to variability in technical noise levels across cell types.

This work addresses the block-diagonal semidefinite program (SDP) relaxations for the clique number of the Paley graphs. The size of the maximal clique (clique number) of a graph is a classic NP-complete problem; a Paley graph is a deterministic graph where two vertices are connected if their difference is a quadratic residue modulo certain prime powers. Improving the upper bound for the Paley graph clique number for odd prime powers is an open problem in combinatorics. Moreover, since quadratic residues exhibit pseudorandom properties, Paley graphs are related to the construction of deterministic restricted isometries, an open problem in compressed sensing and sparse recovery. Recent work provides numerical evidence that the current upper bounds can be improved by the sum-of-squares (SOS) relaxations. In particular, the bounds given by the SOS relaxations of degree 4 (SOS-4) have been empirically observed to be growing at an order smaller than square root of the prime. However, computations of SOS-4 appear to be intractable with respect to large graphs. Gvozdenovic et al. introduced a more computationally efficient block-diagonal hierarchy of SDPs that refines the SOS hierarchy. They computed the values of these SDPs of degrees 2 and 3 (L2 and L3 respectively) for the Paley graph clique numbers associated with primes p less or equal to 809. These values bound from above the values of the corresponding SOS-4 and SOS-6 relaxations respectively. We revisit these computations and compute the values of the L2 relaxations for larger p's. Our results provide additional numerical evidence that the L2 relaxations, and therefore also the SOS-4 relaxations, are asymptotically growing at an order smaller than the square root of p.

We analyze the convergence properties of Fermat distances, a family of density-driven metrics defined on Riemannian manifolds with an associated probability measure. Fermat distances may be defined either on discrete samples from the underlying measure, in which case they are random, or in the continuum setting, in which they are induced by geodesics under a density-distorted Riemannian metric. We prove that discrete, sample-based Fermat distances converge to their continuum analogues in small neighborhoods with a precise rate that depends on the intrinsic dimensionality of the data and the parameter governing the extent of density weighting in Fermat distances. This is done by leveraging novel geometric and statistical arguments in percolation theory that allow for non-uniform densities and curved domains. Our results are then used to prove that discrete graph Laplacians based on discrete, sample-driven Fermat distances converge to corresponding continuum operators. In particular, we show the discrete eigenvalues and eigenvectors converge to their continuum analogues at a dimension-dependent rate, which allows us to interpret the efficacy of discrete spectral clustering using Fermat distances in terms of the resulting continuum limit. The perspective afforded by our discrete-to-continuum Fermat distance analysis leads to new clustering algorithms for data and related insights into efficient computations associated to density-driven spectral clustering. Our theoretical analysis is supported with numerical simulations and experiments on synthetic and real image data.

Graph neural networks generalize conventional neural networks to graph-structured data and have received widespread attention due to their impressive representation ability. In spite of the remarkable achievements, the performance of Euclidean models in graph-related learning is still bounded and limited by the representation ability of Euclidean geometry, especially for datasets with highly non-Euclidean latent anatomy. Recently, hyperbolic space has gained increasing popularity in processing graph data with tree-like structure and power-law distribution, owing to its exponential growth property. In this survey, we comprehensively revisit the technical details of the current hyperbolic graph neural networks, unifying them into a general framework and summarizing the variants of each component. More importantly, we present various HGNN-related applications. Last, we also identify several challenges, which potentially serve as guidelines for further flourishing the achievements of graph learning in hyperbolic spaces.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.