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Nicolas Macris

Publications and source records attributed to Nicolas Macris.

At least 19 recordsLinked to original sources

Asymptotic Learning Curves for Diffusion Models with Random Features Score and Manifold Data

We study the theoretical behavior of denoising score matching--the learning task associated to diffusion models--when the data distribution is supported on a low-dimensional manifold and the score is parameterized using a random feature neural network. We derive asymptotically exact expressions for the test, train, and score errors in the high-dimensional limit. Our analysis reveals that, for linear manifolds the sample complexity required to learn the score function scales linearly with the intrinsic dimension of the manifold, rather than with the ambient dimension. Perhaps surprisingly, the benefits of low-dimensional structure starts to diminish once we have a non-linear manifold. These results indicate that diffusion models can benefit from structured data; however, the dependence on the specific type of structure is subtle and intricate.

cs.LG

Denoising Score Matching with Random Features: Insights on Diffusion Models from Precise Learning Curves

We theoretically investigate the phenomena of generalization and memorization in diffusion models. Empirical studies suggest that these phenomena are influenced by model complexity and the size of the training dataset. In our experiments, we further observe that the number of noise samples per data sample ($m$) used during Denoising Score Matching (DSM) plays a significant and non-trivial role. We capture these behaviors and shed insights into their mechanisms by deriving asymptotically precise expressions for test and train errors of DSM under a simple theoretical setting. The score function is parameterized by random features neural networks, with the target distribution being $d$-dimensional Gaussian. We operate in a regime where the dimension $d$, number of data samples $n$, and number of features $p$ tend to infinity while keeping the ratios $\psi_n=\frac{n}{d}$ and $\psi_p=\frac{p}{d}$ fixed. By characterizing the test and train errors, we identify regimes of generalization and memorization as a function of $\psi_n,\psi_p$, and $m$. Our theoretical findings are consistent with the empirical observations.

cs.LG

Sampling in High-Dimensions using Stochastic Interpolants and Forward-Backward Stochastic Differential Equations

We present a class of diffusion-based algorithms to draw samples from high-dimensional probability distributions given their unnormalized densities. Ideally, our methods can transport samples from a Gaussian distribution to a specified target distribution in finite time. Our approach relies on the stochastic interpolants framework to define a time-indexed collection of probability densities that bridge a Gaussian distribution to the target distribution. Subsequently, we derive a diffusion process that obeys the aforementioned probability density at each time instant. Obtaining such a diffusion process involves solving certain Hamilton-Jacobi-Bellman PDEs. We solve these PDEs using the theory of forward-backward stochastic differential equations (FBSDE) together with machine learning-based methods. Through numerical experiments, we demonstrate that our algorithm can effectively draw samples from distributions that conventional methods struggle to handle.

cs.LG

Analysis of Diffusion Models for Manifold Data

We analyze the time reversed dynamics of generative diffusion models. If the exact empirical score function is used in a regime of large dimension and exponentially large number of samples, these models are known to undergo transitions between distinct dynamical regimes. We extend this analysis and compute the transitions for an analytically tractable manifold model where the statistical model for the data is a mixture of lower dimensional Gaussians embedded in higher dimensional space. We compute the so-called speciation and collapse transition times, as a function of the ratio of manifold-to-ambient space dimensions, and other characteristics of the data model. An important tool used in our analysis is the exact formula for the mutual information (or free energy) of Generalized Linear Models.

math.ST

The PRODSAT phase of random quantum satisfiability

The $k$-QSAT problem is a quantum analog of the famous $k$-SAT constraint satisfaction problem. We must determine the zero energy ground states of a Hamiltonian of $N$ qubits consisting of a sum of $M$ random $k$-local rank-one projectors. It is known that product states of zero energy exist with high probability if and only if the underlying factor graph has a clause-covering dimer configuration. This means that the threshold of the PRODSAT phase is a purely geometric quantity equal to the dimer covering threshold. We revisit and fully prove this result through a combination of complex analysis and algebraic methods based on Buchberger's algorithm for complex polynomial equations with random coefficients. We also discuss numerical experiments investigating the presence of entanglement in the PRODSAT phase in the sense that product states do not span the whole zero energy ground state space.

cs.IT

Rectangular Rotational Invariant Estimator for High-Rank Matrix Estimation

We consider estimating a matrix from noisy observations coming from an arbitrary additive bi-rotational invariant perturbation. We propose an estimator which is optimal among the class of rectangular rotational invariant estimators and can be applied irrespective of the prior on the signal. For the particular case of Gaussian noise, we prove the optimality of the proposed estimator, and we find an explicit expression for the MMSE in terms of the limiting singular value distribution of the observation matrix. Moreover, we prove a formula linking the asymptotic mutual information and the limit of a log-spherical integral of rectangular matrices. We also provide numerical checks for our results for general bi-rotational invariant noise, as well as Gaussian noise, which match our theoretical predictions.

cs.IT

Stochastic Gradient Flow Dynamics of Test Risk and its Exact Solution for Weak Features

We investigate the test risk of continuous-time stochastic gradient flow dynamics in learning theory. Using a path integral formulation we provide, in the regime of a small learning rate, a general formula for computing the difference between test risk curves of pure gradient and stochastic gradient flows. We apply the general theory to a simple model of weak features, which displays the double descent phenomenon, and explicitly compute the corrections brought about by the added stochastic term in the dynamics, as a function of time and model parameters. The analytical results are compared to simulations of discrete-time stochastic gradient descent and show good agreement.

stat.ML

Bayesian Extensive-Rank Matrix Factorization with Rotational Invariant Priors

We consider a statistical model for matrix factorization in a regime where the rank of the two hidden matrix factors grows linearly with their dimension and their product is corrupted by additive noise. Despite various approaches, statistical and algorithmic limits of such problems have remained elusive. We study a Bayesian setting with the assumptions that (a) one of the matrix factors is symmetric, (b) both factors as well as the additive noise have rotational invariant priors, (c) the priors are known to the statistician. We derive analytical formulas for Rotation Invariant Estimators to reconstruct the two matrix factors, and conjecture that these are optimal in the large-dimension limit, in the sense that they minimize the average mean-square-error. We provide numerical checks which confirm the optimality conjecture when confronted to Oracle Estimators which are optimal by definition, but involve the ground-truth. Our derivation relies on a combination of tools, namely random matrix theory transforms, spherical integral formulas, and the replica method from statistical mechanics.

cs.IT

Matrix Inference in Growing Rank Regimes

The inference of a large symmetric signal-matrix $\mathbf{S} \in \mathbb{R}^{N\times N}$ corrupted by additive Gaussian noise, is considered for two regimes of growth of the rank $M$ as a function of $N$. For sub-linear ranks $M=\Theta(N^\alpha)$ with $\alpha\in(0,1)$ the mutual information and minimum mean-square error (MMSE) are derived for two classes of signal-matrices: (a) $\mathbf{S}=\mathbf{X}\mathbf{X}^\intercal$ with entries of $\mathbf{X}\in\mathbb{R}^{N\times M}$ independent identically distributed; (b) $\mathbf{S}$ sampled from a rotationally invariant distribution. Surprisingly, the formulas match the rank-one case. Two efficient algorithms are explored and conjectured to saturate the MMSE when no statistical-to-computational gap is present: (1) Decimation Approximate Message Passing; (2) a spectral algorithm based on a Rotation Invariant Estimator. For linear ranks $M=\Theta(N)$ the mutual information is rigorously derived for signal-matrices from a rotationally invariant distribution. Close connections with scalar inference in free probability are uncovered, which allow to deduce a simple formula for the MMSE as an integral involving the limiting spectral measure of the data matrix only. An interesting issue is whether the known information theoretic phase transitions for rank-one, and hence also sub-linear-rank, still persist in linear-rank. Our analysis suggests that only a smoothed-out trace of the transitions persists. Furthermore, the change of behavior between low and truly high-rank regimes only happens at the linear scale $\alpha=1$.

cs.IT

Rectangular Rotational Invariant Estimator for General Additive Noise Matrices

We propose a rectangular rotational invariant estimator to recover a real matrix from noisy matrix observations coming from an arbitrary additive rotational invariant perturbation, in the large dimension limit. Using the Bayes-optimality of this estimator, we derive the asymptotic minimum mean squared error (MMSE). For the particular case of Gaussian noise, we find an explicit expression for the MMSE in terms of the limiting singular value distribution of the observation matrix. Moreover, we prove a formula linking the asymptotic mutual information and the limit of log-spherical integral of rectangular matrices. We also provide numerical checks for our results, which match our theoretical predictions and known Bayesian inference results.

cs.IT

Gradient flow on extensive-rank positive semi-definite matrix denoising

In this work, we present a new approach to analyze the gradient flow for a positive semi-definite matrix denoising problem in an extensive-rank and high-dimensional regime. We use recent linear pencil techniques of random matrix theory to derive fixed point equations which track the complete time evolution of the matrix-mean-square-error of the problem. The predictions of the resulting fixed point equations are validated by numerical experiments. In this short note we briefly illustrate a few predictions of our formalism by way of examples, and in particular we uncover continuous phase transitions in the extensive-rank and high-dimensional regime, which connect to the classical phase transitions of the low-rank problem in the appropriate limit. The formalism has much wider applicability than shown in this communication.

stat.ML

Gradient flow in the gaussian covariate model: exact solution of learning curves and multiple descent structures

A recent line of work has shown remarkable behaviors of the generalization error curves in simple learning models. Even the least-squares regression has shown atypical features such as the model-wise double descent, and further works have observed triple or multiple descents. Another important characteristic are the epoch-wise descent structures which emerge during training. The observations of model-wise and epoch-wise descents have been analytically derived in limited theoretical settings (such as the random feature model) and are otherwise experimental. In this work, we provide a full and unified analysis of the whole time-evolution of the generalization curve, in the asymptotic large-dimensional regime and under gradient-flow, within a wider theoretical setting stemming from a gaussian covariate model. In particular, we cover most cases already disparately observed in the literature, and also provide examples of the existence of multiple descent structures as a function of a model parameter or time. Furthermore, we show that our theoretical predictions adequately match the learning curves obtained by gradient descent over realistic datasets. Technically we compute averages of rational expressions involving random matrices using recent developments in random matrix theory based on "linear pencils". Another contribution, which is also of independent interest in random matrix theory, is a new derivation of related fixed point equations (and an extension there-off) using Dyson brownian motions.

stat.ML

On the convergence to the non-equilibrium steady state of a Langevin dynamics with widely separated time scales and different temperatures

We study the solution of the two-temperatures Fokker-Planck equation and rigorously analyse its convergence towards an explicit non-equilibrium stationary measure for long time and two widely separated time scales. The exponential rates of convergence are estimated assuming the validity of logarithmic Sobolev inequalities for the conditional and marginal distributions of the limit measure. We show that these estimates are sharp in the exactly solvable case of a quadratic potential. We discuss a few examples where the logarithmic Sobolev inequalities are satisfied through simple, though not optimal, criteria. In particular we consider a spin-glass model with slowly varying external magnetic fields whose non-equilibrium measure corresponds to Guerra's hierarchical construction appearing in Talagrand's proof of the Parisi formula.

math-ph

Model, sample, and epoch-wise descents: exact solution of gradient flow in the random feature model

Recent evidence has shown the existence of a so-called double-descent and even triple-descent behavior for the generalization error of deep-learning models. This important phenomenon commonly appears in implemented neural network architectures, and also seems to emerge in epoch-wise curves during the training process. A recent line of research has highlighted that random matrix tools can be used to obtain precise analytical asymptotics of the generalization (and training) errors of the random feature model. In this contribution, we analyze the whole temporal behavior of the generalization and training errors under gradient flow for the random feature model. We show that in the asymptotic limit of large system size the full time-evolution path of both errors can be calculated analytically. This allows us to observe how the double and triple descents develop over time, if and when early stopping is an option, and also observe time-wise descent structures. Our techniques are based on Cauchy complex integral representations of the errors together with recent random matrix methods based on linear pencils.

cs.LG

Statistical limits of dictionary learning: random matrix theory and the spectral replica method

We consider increasingly complex models of matrix denoising and dictionary learning in the Bayes-optimal setting, in the challenging regime where the matrices to infer have a rank growing linearly with the system size. This is in contrast with most existing literature concerned with the low-rank (i.e., constant-rank) regime. We first consider a class of rotationally invariant matrix denoising problems whose mutual information and minimum mean-square error are computable using techniques from random matrix theory. Next, we analyze the more challenging models of dictionary learning. To do so we introduce a novel combination of the replica method from statistical mechanics together with random matrix theory, coined spectral replica method. This allows us to derive variational formulas for the mutual information between hidden representations and the noisy data of the dictionary learning problem, as well as for the overlaps quantifying the optimal reconstruction error. The proposed method reduces the number of degrees of freedom from $\Theta(N^2)$ matrix entries to $\Theta(N)$ eigenvalues (or singular values), and yields Coulomb gas representations of the mutual information which are reminiscent of matrix models in physics. The main ingredients are a combination of large deviation results for random matrices together with a new replica symmetric decoupling ansatz at the level of the probability distributions of eigenvalues (or singular values) of certain overlap matrices and the use of HarishChandra-Itzykson-Zuber spherical integrals.

cs.IT

Mismatched Estimation of rank-one symmetric matrices under Gaussian noise

We consider the estimation of an n-dimensional vector s from the noisy element-wise measurements of $\mathbf{s}\mathbf{s}^T$, a generic problem that arises in statistics and machine learning. We study a mismatched Bayesian inference setting, where some of the parameters are not known to the statistician. We derive the full exact analytic expression of the asymptotic mean squared error (MSE) in the large system size limit for the particular case of Gaussian priors and additive noise. From our formulas, we see that estimation is still possible in the mismatched case; and also that the minimum MSE (MMSE) can be achieved if the statistician chooses suitable parameters. Our technique relies on the asymptotics of the spherical integrals and can be applied as long as the statistician chooses a rotationally invariant prior.

cs.IT

Rank-one matrix estimation: analytic time evolution of gradient descent dynamics

We consider a rank-one symmetric matrix corrupted by additive noise. The rank-one matrix is formed by an $n$-component unknown vector on the sphere of radius $\sqrt{n}$, and we consider the problem of estimating this vector from the corrupted matrix in the high dimensional limit of $n$ large, by gradient descent for a quadratic cost function on the sphere. Explicit formulas for the whole time evolution of the overlap between the estimator and unknown vector, as well as the cost, are rigorously derived. In the long time limit we recover the well known spectral phase transition, as a function of the signal-to-noise ratio. The explicit formulas also allow to point out interesting transient features of the time evolution. Our analysis technique is based on recent progress in random matrix theory and uses local versions of the semi-circle law.

stat.ML

Solving non-linear Kolmogorov equations in large dimensions by using deep learning: a numerical comparison of discretization schemes

Non-linear partial differential Kolmogorov equations are successfully used to describe a wide range of time dependent phenomena, in natural sciences, engineering or even finance. For example, in physical systems, the Allen-Cahn equation describes pattern formation associated to phase transitions. In finance, instead, the Black-Scholes equation describes the evolution of the price of derivative investment instruments. Such modern applications often require to solve these equations in high-dimensional regimes in which classical approaches are ineffective. Recently, an interesting new approach based on deep learning has been introduced by E, Han, and Jentzen [1][2]. The main idea is to construct a deep network which is trained from the samples of discrete stochastic differential equations underlying Kolmogorov's equation. The network is able to approximate, numerically at least, the solutions of the Kolmogorov equation with polynomial complexity in whole spatial domains. In this contribution we study variants of the deep networks by using different discretizations schemes of the stochastic differential equation. We compare the performance of the associated networks, on benchmarked examples, and show that, for some discretization schemes, improvements in the accuracy are possible without affecting the observed computational complexity.

math.NA