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Jérémie Bigot

Publications and source records attributed to Jérémie Bigot.

At least 19 recordsLinked to original sources

PCA of probability measures: Sparse and Dense sampling regimes

A common approach to perform PCA on probability measures is to embed them into a Hilbert space where standard functional PCA techniques apply. While convergence rates for estimating the embedding of a single measure from $m$ samples are well understood, the literature has not addressed the setting involving multiple measures. In this paper, we study PCA in a double asymptotic regime where $n$ probability measures are observed, each through $m$ samples. We derive convergence rates of the form $n^{-1/2} + m^{-α}$ for the empirical covariance operator and the PCA excess risk, where $α>0$ depends on the chosen embedding. This characterizes the relationship between the number $n$ of measures and the number $m$ of samples per measure, revealing a sparse (small $m$) to dense (large $m$) transition in the convergence behavior. Moreover, we prove that the dense-regime rate is minimax optimal for the empirical covariance error. Our numerical experiments validate these theoretical rates and demonstrate that appropriate subsampling preserves PCA accuracy while reducing computational cost.

stat.ML↗

Stochastic Adaptive Gradient Descent Without Descent

We introduce a new adaptive step-size strategy for convex optimization with stochastic gradient that exploits the local geometry of the objective function only by means of a first-order stochastic oracle and without any hyper-parameter tuning. The method comes from a theoretically-grounded adaptation of the Adaptive Gradient Descent Without Descent method to the stochastic setting. We prove the convergence of stochastic gradient descent with our step-size under various assumptions, and we show that it empirically competes against tuned baselines.

cs.LG↗

High-dimensional analysis of ridge regression for non-identically distributed data with a variance profile

High-dimensional linear regression has been thoroughly studied in the context of independent and identically distributed data. We propose to investigate high-dimensional regression models for independent but non-identically distributed data. To this end, we suppose that the set of observed predictors (or features) is a random matrix with a variance profile and with dimensions growing at a proportional rate. Assuming a random effect model, we study the predictive risk of the ridge estimator for linear regression with such a variance profile. In this setting, we provide deterministic equivalents of this risk and of the degree of freedom of the ridge estimator. For certain class of variance profile, our work highlights the emergence of the well-known double descent phenomenon in high-dimensional regression for the minimum norm least-squares estimator when the ridge regularization parameter goes to zero. We also exhibit variance profiles for which the shape of this predictive risk differs from double descent. The proofs of our results are based on tools from random matrix theory in the presence of a variance profile that have not been considered so far to study regression models. Numerical experiments are provided to show the accuracy of the aforementioned deterministic equivalents on the computation of the predictive risk of ridge regression. We also investigate the similarities and differences that exist with the standard setting of independent and identically distributed data.

math.ST↗

High-dimensional ridge regression with random features for non-identically distributed data with a variance profile

Random feature ridge regression is often analyzed in the high-dimensional regime under the homogeneous sampling model $x_i=Σ^{1/2}x_i'$, where the vectors $x_i'$ have iid entries and the same covariance matrix $Σ$ is shared by all samples. In this paper, we move beyond this setting and study non-identically distributed data through a variance-profile model in which the training and test covariates have row-dependent diagonal covariance matrices $Σ_i=\diag(γ_{i1}^2,\ldots,γ_{ip}^2)$ and $\widetildeΣ_i=\diag(\tildeγ_{i1}^2,\ldots,\tildeγ_{ip}^2)$. Our main contribution is the derivation of asymptotic equivalents for the training and test risks of ridge regression with random features when $n$, $p$, and $m$ grow proportionally. The first set of equivalents is obtained by combining the linear-plus-chaos approximation with traffic-probability arguments, whereas the second set is deterministic and follows from operator-valued free probability through an amalgamation-over-the-diagonal argument. These equivalents are sharp in numerical experiments. They also reveal how heterogeneous variance profiles, including mixture-type profiles inspired by MNIST, can modify generalization and exhibit double-descent behavior when the ridge parameter is small.

stat.ML↗

Scalable Learning from Probability Measures with Mean Measure Quantization

We consider statistical learning problems in which data are observed as a set of probability measures. Optimal transport (OT) is a popular tool to compare and manipulate such objects, but its computational cost becomes prohibitive when the measures have large support. We study a quantization-based approach in which all input measures are approximated by $K$-point discrete measures sharing a common support. We establish consistency of the resulting quantized measures. We further derive convergence guarantees for several OT-based downstream tasks computed from the quantized measures. Numerical experiments on synthetic and real datasets demonstrate that the proposed approach achieves performance comparable to individual quantization while substantially reducing runtime.

stat.ML↗

Regularized estimation of Monge-Kantorovich quantiles for spherical data

Tools from optimal transport (OT) theory have recently been used to define a notion of quantile function for directional data. In practice, regularization is mandatory for applications that require out-of-sample estimates. To this end, we introduce a regularized estimator built from entropic optimal transport, by extending the definition of the entropic map to the spherical setting. We propose a stochastic algorithm to directly solve a continuous OT problem between the uniform distribution and a target distribution, by expanding Kantorovich potentials in the basis of spherical harmonics. In addition, we define the directional Monge-Kantorovich depth, a companion concept for OT-based quantiles. We show that it benefits from desirable properties related to Liu-Zuo-Serfling axioms for the statistical analysis of directional data. Building on our regularized estimators, we illustrate the benefits of our methodology for data analysis.

stat.ME↗

Wasserstein multivariate auto-regressive models for modeling distributional time series

This paper is focused on the statistical analysis of data consisting of a collection of multiple series of probability measures that are indexed by distinct time instants and supported over a bounded interval of the real line. By modeling these time-dependent probability measures as random objects in the Wasserstein space, we propose a new auto-regressive model for the statistical analysis of multivariate distributional time series. Using the theory of iterated random function systems, results on the second order stationarity of the solution of such a model are provided. We also propose a consistent estimator for the auto-regressive coefficients of this model. Due to the simplex constraints that we impose on the model coefficients, the proposed estimator that is learned under these constraints, naturally has a sparse structure. The sparsity allows the application of the proposed model in learning a graph of temporal dependency from multivariate distributional time series. We explore the numerical performances of our estimation procedure using simulated data. To shed some light on the benefits of our approach for real data analysis, we also apply this methodology to two data sets, respectively made of observations from age distribution in different countries and those from the bike sharing network in Paris.

stat.ML↗

Kantorovich Distance via Spanning Trees: Properties and Algorithms

We study optimal transport between probability measures supported on the same finite metric space, where the ground cost is a distance induced by a weighted connected graph. Building on recent work showing that the resulting Kantorovich distance can be expressed as a minimization problem over the set of spanning trees of this underlying graph, we investigate the implications of this reformulation on the construction of an optimal transport plan and a dual potential based on the solution of such an optimization problem. In this setting, we derive an explicit formula for the Kantorovich potential in terms of the imbalanced cumulative mass (a generalization of the cumulative distribution in R) along an optimal spanning tree solving such a minimization problem, under a weak non-degeneracy condition on the pair of measures that guarantees the uniqueness of a dual potential. Our second contribution establishes the existence of an optimal transport plan that can be computed efficiently by a dynamic programming procedure once an optimal spanning tree is known. Finally, we propose a stochastic algorithm based on simulated annealing on the space of spanning trees to compute such an optimal spanning tree. Numerical experiments illustrate the theoretical results and demonstrate the practical relevance of the proposed approach for optimal transport on finite metric spaces.

math.OC↗

Stochastic optimal transport in Banach Spaces for regularized estimation of multivariate quantiles

We introduce a new stochastic algorithm for solving entropic optimal transport (EOT) between two absolutely continuous probability measures $μ$ and $ν$. Our work is motivated by the specific setting of Monge-Kantorovich quantiles where the source measure $μ$ is either the uniform distribution on the unit hypercube or the spherical uniform distribution. Using the knowledge of the source measure, we propose to parametrize a Kantorovich dual potential by its Fourier coefficients. In this way, each iteration of our stochastic algorithm reduces to two Fourier transforms that enables us to make use of the Fast Fourier Transform (FFT) in order to implement a fast numerical method to solve EOT. We study the almost sure convergence of our stochastic algorithm that takes its values in an infinite-dimensional Banach space. Then, using numerical experiments, we illustrate the performances of our approach on the computation of regularized Monge-Kantorovich quantiles. In particular, we investigate the potential benefits of entropic regularization for the smooth estimation of multivariate quantiles using data sampled from the target measure $ν$.

math.PR↗

Low dimensional representation of multi-patient flow cytometry datasets using optimal transport for minimal residual disease detection in leukemia

Representing and quantifying Minimal Residual Disease (MRD) in Acute Myeloid Leukemia (AML), a type of cancer that affects the blood and bone marrow, is essential in the prognosis and follow-up of AML patients. As traditional cytological analysis cannot detect leukemia cells below 5\%, the analysis of flow cytometry dataset is expected to provide more reliable results. In this paper, we explore statistical learning methods based on optimal transport (OT) to achieve a relevant low-dimensional representation of multi-patient flow cytometry measurements (FCM) datasets considered as high-dimensional probability distributions. Using the framework of OT, we justify the use of the K-means algorithm for dimensionality reduction of multiple large-scale point clouds through mean measure quantization by merging all the data into a single point cloud. After this quantization step, the visualization of the intra and inter-patients FCM variability is carried out by embedding low-dimensional quantized probability measures into a linear space using either Wasserstein Principal Component Analysis (PCA) through linearized OT or log-ratio PCA of compositional data. Using a publicly available FCM dataset and a FCM dataset from Bordeaux University Hospital, we demonstrate the benefits of our approach over the popular kernel mean embedding technique for statistical learning from multiple high-dimensional probability distributions. We also highlight the usefulness of our methodology for low-dimensional projection and clustering patient measurements according to their level of MRD in AML from FCM. In particular, our OT-based approach allows a relevant and informative two-dimensional representation of the results of the FlowSom algorithm, a state-of-the-art method for the detection of MRD in AML using multi-patient FCM.

stat.ML↗

Asymptotic distribution and convergence rates of stochastic algorithms for entropic optimal transportation between probability measures

This paper is devoted to the stochastic approximation of entropically regularized Wasserstein distances between two probability measures, also known as Sinkhorn divergences. The semi-dual formulation of such regularized optimal transportation problems can be rewritten as a non-strongly concave optimisation problem. It allows to implement a Robbins-Monro stochastic algorithm to estimate the Sinkhorn divergence using a sequence of data sampled from one of the two distributions. Our main contribution is to establish the almost sure convergence and the asymptotic normality of a new recursive estimator of the Sinkhorn divergence between two probability measures in the discrete and semi-discrete settings. We also study the rate of convergence of the expected excess risk of this estimator in the absence of strong concavity of the objective function. Numerical experiments on synthetic and real datasets are also provided to illustrate the usefulness of our approach for data analysis.

math.ST↗

On the potential benefits of entropic regularization for smoothing Wasserstein estimators

This paper is focused on the study of entropic regularization in optimal transport as a smoothing method for Wasserstein estimators, through the prism of the classical tradeoff between approximation and estimation errors in statistics. Wasserstein estimators are defined as solutions of variational problems whose objective function involves the use of an optimal transport cost between probability measures. Such estimators can be regularized by replacing the optimal transport cost by its regularized version using an entropy penalty on the transport plan. The use of such a regularization has a potentially significant smoothing effect on the resulting estimators. In this work, we investigate its potential benefits on the approximation and estimation properties of regularized Wasserstein estimators. Our main contribution is to discuss how entropic regularization may reach, at a lower computational cost, statistical performances that are comparable to those of un-regularized Wasserstein estimators in statistical learning problems involving distributional data analysis. To this end, we present new theoretical results on the convergence of regularized Wasserstein estimators. We also study their numerical performances using simulated and real data in the supervised learning problem of proportions estimation in mixture models using optimal transport.

stat.ML↗

Online Graph Topology Learning from Matrix-valued Time Series

The focus is on the statistical analysis of matrix-valued time series, where data is collected over a network of sensors, typically at spatial locations, over time. Each sensor records a vector of features at each time point, creating a vectorial time series for each sensor. The goal is to identify the dependency structure among these sensors and represent it with a graph. When only one feature per sensor is observed, vector auto-regressive (VAR) models are commonly used to infer Granger causality, resulting in a causal graph. The first contribution extends VAR models to matrix-variate models for the purpose of graph learning. Additionally, two online procedures are proposed for both low and high dimensions, enabling rapid updates of coefficient estimates as new samples arrive. In the high-dimensional setting, a novel Lasso-type approach is introduced, and homotopy algorithms are developed for online learning. An adaptive tuning procedure for the regularization parameter is also provided. Given that the application of auto-regressive models to data typically requires detrending, which is not feasible in an online context, the proposed AR models are augmented by incorporating trend as an additional parameter, with a particular focus on periodic trends. The online algorithms are adapted to these augmented data models, allowing for simultaneous learning of the graph and trend from streaming samples. Numerical experiments using both synthetic and real data demonstrate the effectiveness of the proposed methods.

stat.ML↗

Fréchet random forests for metric space valued regression with non euclidean predictors

Random forests are a statistical learning method widely used in many areas of scientific research because of its ability to learn complex relationships between input and output variables and also its capacity to handle high-dimensional data. However, current random forest approaches are not flexible enough to handle heterogeneous data such as curves, images and shapes. In this paper, we introduce Fréchet trees and Fréchet random forests, which allow to handle data for which input and output variables take values in general metric spaces. To this end, a new way of splitting the nodes of trees is introduced and the prediction procedures of trees and forests are generalized. Then, random forests out-of-bag error and variable importance score are naturally adapted. A consistency theorem for Fréchet regressogram predictor using data-driven partitions is given and applied to Fréchet purely uniformly random trees. The method is studied through several simulation scenarios on heterogeneous data combining longitudinal, image and scalar data. Finally, one real dataset about air quality is used to illustrate the use of the proposed method in practice.

stat.ML↗

CytOpT: Optimal Transport with Domain Adaptation for Interpreting Flow Cytometry data

The automated analysis of flow cytometry measurements is an active research field. We introduce a new algorithm, referred to as CytOpT, using regularized optimal transport to directly estimate the different cell population proportions from a biological sample characterized with flow cytometry measurements. We rely on the regularized Wasserstein metric to compare cytometry measurements from different samples, thus accounting for possible mis-alignment of a given cell population across sample (due to technical variability from the technology of measurements). In this work, we rely on a supervised learning technique based on the Wasserstein metric that is used to estimate an optimal re-weighting of class proportions in a mixture model from a source distribution (with known segmentation into cell sub-populations) to fit a target distribution with unknown segmentation. Due to the high-dimensionality of flow cytometry data, we use stochastic algorithms to approximate the regularized Wasserstein metric to solve the optimization problem involved in the estimation of optimal weights representing the cell population proportions in the target distribution. Several flow cytometry data sets are used to illustrate the performances of CytOpT that are also compared to those of existing algorithms for automatic gating based on supervised learning.

stat.AP↗

A stochastic Gauss-Newton algorithm for regularized semi-discrete optimal transport

We introduce a new second order stochastic algorithm to estimate the entropically regularized optimal transport cost between two probability measures. The source measure can be arbitrary chosen, either absolutely continuous or discrete, while the target measure is assumed to be discrete. To solve the semi-dual formulation of such a regularized and semi-discrete optimal transportation problem, we propose to consider a stochastic Gauss-Newton algorithm that uses a sequence of data sampled from the source measure. This algorithm is shown to be adaptive to the geometry of the underlying convex optimization problem with no important hyperparameter to be accurately tuned. We establish the almost sure convergence and the asymptotic normality of various estimators of interest that are constructed from this stochastic Gauss-Newton algorithm. We also analyze their non-asymptotic rates of convergence for the expected quadratic risk in the absence of strong convexity of the underlying objective function. The results of numerical experiments from simulated data are also reported to illustrate the finite sample properties of this Gauss-Newton algorithm for stochastic regularized optimal transport, and to show its advantages over the use of the stochastic gradient descent, stochastic Newton and ADAM algorithms.

math.ST↗

Low-rank matrix denoising for count data using unbiased Kullback-Leibler risk estimation

Many statistical studies are concerned with the analysis of observations organized in a matrix form whose elements are count data. When these observations are assumed to follow a Poisson or a multinomial distribution, it is of interest to focus on the estimation of either the intensity matrix (Poisson case) or the compositional matrix (multinomial case) when it is assumed to have a low rank structure. In this setting, it is proposed to construct an estimator minimizing the regularized negative log-likelihood by a nuclear norm penalty. Such an approach easily yields a low-rank matrix-valued estimator with positive entries which belongs to the set of row-stochastic matrices in the multinomial case. Then, as a main contribution, a data-driven procedure is constructed to select the regularization parameter in the construction of such estimators by minimizing (approximately) unbiased estimates of the Kullback-Leibler (KL) risk in such models, which generalize Stein's unbiased risk estimation originally proposed for Gaussian data. The evaluation of these quantities is a delicate problem, and novel methods are introduced to obtain accurate numerical approximation of such unbiased estimates. Simulated data are used to validate this way of selecting regularizing parameters for low-rank matrix estimation from count data. For data following a multinomial distribution, the performances of this approach are also compared to $K$-fold cross-validation. Examples from a survey study and metagenomics also illustrate the benefits of this methodology for real data analysis.

math.ST↗

Freeness over the diagonal and outliers detection in deformed random matrices with a variance profile

We study the eigenvalue distribution of a GUE matrix with a variance profile that is perturbed by an additive random matrix that may possess spikes. Our approach is guided by Voiculescu's notion of freeness with amalgamation over the diagonal and by the notion of deterministic equivalent. This allows to derive a fixed point equation to approximate the spectral distribution of certain deformed GUE matrices with a variance profile and to characterize the location of potential outliers in such models in a non-asymptotic setting. We also consider the singular values distribution of a rectangular Gaussian random matrix with a variance profile in a similar setting of additive perturbation. We discuss the application of this approach to the study of low-rank matrix denoising models in the presence of heteroscedastic noise, that is when the amount of variance in the observed data matrix may change from entry to entry. Numerical experiments are used to illustrate our results.

math.ST↗