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Andrea Montanari

Publications and source records attributed to Andrea Montanari.

At least 19 recordsLinked to original sources

Generating from Discrete Distributions Using Diffusions: Insights from Random Constraint Satisfaction Problems

Generating data from discrete distributions is important for a number of application domains including text, tabular data, and genomic data. Several groups have recently used random $k$-satisfiability ($k$-SAT) as a synthetic benchmark for new generative techniques. In this paper, we show that fundamental insights from the theory of random constraint satisfaction problems have observable implications (sometime contradicting intuition) on the behavior of generative techniques on such benchmarks. More precisely, we study the problem of generating a uniformly random solution of a given (random) $k$-SAT or $k$-XORSAT formula. Among other findings, we observe that: $(i)$~Continuous diffusions outperform masked discrete diffusions; $(ii)$~Learned diffusions can match the theoretical `ideal' accuracy; $(iii)$~Smart ordering of the variables can significantly improve accuracy, although not following popular heuristics.

cs.LG

Free energy of Ising models under a spectral condition

A sequence of sparse weighted graphs $(G_N:N\ge 1)$ indexed by the number of vertices $N$ is said to be left-convergent if all (suitably weighted) subgraph counts converge to a limit as $N\to\infty$. This notion generalizes in a natural way Benjamini-Schramm's definition of local weak convergence. A broad research agenda aims at determining which `global' graph properties are determined by left or local weak convergence (in other words, which of these properties are in fact local). We prove that, under a spectral condition on the weighted adjacency matrix ${\boldsymbol A}_N$ of graph $G_N$, the free energy density of the Ising model on this weighted graph is continuous in the left convergence topology (and hence is a local function). Our proof uses the decomposition of the Ising measure as a log-concave combination of product measures, and of the rapid mixing of Langevin dynamics for log-concave measures. As applications, we derive new limit theorems for the free energy density of spin glasses, antiferromagnets, and magnetization constrained ferromagnetic models, on locally tree-like graphs.

math.PR

Solving systems of Random Equations via First and Second-Order Optimization Algorithms

We revisit the problem of solving $n$ random equations in $d$ real variables, when the equations are independent realizations of a Gaussian process in $d$ dimensions. A special case is the one of random polynomial equations, which has been studied since Littlewood-Offord and Kac in the 1940s (who studied of existence of solutions of random polynomials) and Shub and Smale in the 1990s. The last authors first investigated the computational aspect of this problem. Smale's `17th problem' asks whether a system of random polynomial equations can be (approximately) solved in average case polynomial time. We formulate this as a nonconvex optimization problem, and apply local algorithms based on gradient or Hessian information. We leverage recent advances in spin glass theory to characterize the optimal algorithm in this class, and show that the latter undergoes a phase transition at a critical value $α_{\text{alg}}$ of the ratio $α=n/d$. We establish that near-solutions can be found with-high probability for $α<α_{\text{alg}}$, while a companion paper proves that a broad class of efficient algorithms fail for $α>α_{\text{alg}}$ (we outline the proof of this hardness result). We further prove that there are cases such that for $(1+δ)α_{\text{alg}} 0$ arbitrarily small) solutions exists with high probability but are not found efficiently by a broad class of algorithms. We compare our predictions with numerical simulations using the optimal algorithm we propose as well as stochastic gradient descent, and show that they are accurate for a related albeit non-Gaussian cost function. We finally observe empirically a sensitivity cross-over in the behavior of optimization algorithms, below $α_{\text{alg}}$. This marks a qualitative departure with respect to standard optimization theories.

math.PR

Universality of empirical risk minimization

We study a general class of optimization problems with decision variable $\boldsymbolΘ \in \mathbb{R}^{p \times k}$ and cost function which is the sum of $n$ terms, each dependent on $\boldsymbolΘ$ through the $k$-dimensional projection $\boldsymbolΘ^\top \boldsymbol{x}_i$, where $\boldsymbol{x}_i$, $i \leq n$ are i.i.d. random vectors. This setting is general enough to include examples of current interest in statistical physics, high-dimensional statistics, and statistical learning theory. We consider the proportional asymptotics $n, p \to \infty$, with $n/p = Θ(1)$, and prove that, whenever there exists a minimizer satisfying a suitable generalization of a "delocalization" condition, the minimum value is universal. Namely, (for subgaussian $\boldsymbol{x}_i$) it depends on the distribution of $\boldsymbol{x}_i$ only through its asymptotic mean and covariance. This delocalization condition is essentially necessary. Earlier universality results for such problems were limited to strongly convex loss functions. We derive applications of our theory to statistical learning and prove general universality results both for train and (under additional conditions) test error. In particular, we establish universality for vectors $\boldsymbol{x}_i$ generated by random 1-layer neural networks (random features models) and first-order Taylor approximations of 2-layer networks (neural tangent models). Finally, we establish that the delocalization property holds for a class of statistical learning problems under a condition that is easy to verify.

math.ST

Variational Formulas for the Spectrum of Block Wishart Matrices

We analyze the asymptotics of a block-Wishart random matrix ensemble of the type ${\boldsymbol W}_k = ({\boldsymbol X}^* \otimes {\boldsymbol I}_k){\boldsymbol T}({\boldsymbol X}\otimes{\boldsymbol I}_k)$ for ${\boldsymbol X} \in\mathbb{C}^{n\times p}$ with i.i.d. rows satisfying a suitable concentration-of-measure property, and ${\boldsymbol T} := \textrm{\bf Diag}({\boldsymbol T}_i)_{i\in[n]}$ a block diagonal matrix with self-adjoint blocks ${\boldsymbol T}_i\in \mathbb{C}^{k\times k}$, under the proportional asymptotics $n/p\toα$ with $k$ fixed. These matrices play a prominent role in the analysis of $k$-index models in high-dimensional statistics. By studying the matrix Stieltjes transform of this random matrix model and its inverse ($K$-transform), we derive variational formulas for two functionals of the asymptotic spectral density of ${\boldsymbol W}_k$: the left (equivalently right) edge of its support, and its logarithmic potential.

math.PR

Replica Symmetry Breaking and Algorithmic Thresholds in Empirical Risk Minimization under Multi-Index Model

Modern machine learning models are trained by optimizing high-dimensional non-convex empirical risk functions. Such cost functions can have a multitude of local optima and yet, gradient-based optimization appears to converge to near-global optima. Within a simple supervised learning setting, we develop a precise picture of which parts of the empirical risk landscape are accessible by polynomial-time algorithms. We are given i.i.d. pairs $\{(\boldsymbol{x}_i,y_i):\; 1 \le i\le n\}$ with $\boldsymbol{x}_i\in \mathbb{R}^d$ standard Gaussian feature vectors, and $y_i\in\mathbb{R}$ response variables that depend on $\boldsymbol{x}_i$ through their projections on an unknown $k$-dimensional subspace. We use empirical risk minimization to learn a model that depends on an $m$-dimensional projection of the data (e.g., an $m$-neurons neural network). We propose an incremental approximate message passing (IAMP) algorithm and precisely characterize the training error it achieves, as well as the relation between test and training error, in the high dimensional asymptotics $n,d\to\infty$, with $n/d\toα\in (0, +\infty)$. Based on earlier work in related models, we expect that the performance achieved by our algorithm is optimal among polynomial-time algorithms.

cs.LG

The high-dimensional asymptotics of first order methods with random data

We study a class of deterministic flows in ${\mathbb R}^{d\times k}$, parametrized by a random matrix ${\boldsymbol X}\in {\mathbb R}^{n\times d}$ with i.i.d. centered subgaussian entries. We characterize the asymptotic behavior of these flows over bounded time horizons, in the high-dimensional limit in which $n,d\to\infty$ with $k$ fixed and converging aspect ratios $n/d\toδ$. The asymptotic characterization we prove is in terms of a system of nonlinear stochastic processes in $k$ dimensions, whose parameters are determined by a fixed point condition. This type of characterization is known in physics as dynamical mean field theory. Rigorous results of this type have been obtained in the past for a few spin glass models. Our proof is based on time discretization and a reduction to certain iterative schemes known as approximate message passing (AMP) algorithms, as opposed to earlier work that was based on large deviations theory and stochastic processes theory. The new approach provides a unified view of a general class of algorithms and implies that the high-dimensional behavior of the flow is universal with respect to the distribution of the entries of ${\boldsymbol X}$. As specific applications, we obtain high-dimensional characterizations of gradient flow in some classical models from statistics and machine learning, under a random design assumption.

math.PR

Computational bottlenecks for denoising diffusions

Denoising diffusions sample from a probability distribution $μ$ in $\mathbb{R}^d$ by constructing a stochastic process $({\hat{\boldsymbol x}}_t:t\ge 0)$ in $\mathbb{R}^d$ such that ${\hat{\boldsymbol x}}_0$ is easy to sample, but the distribution of $\hat{\boldsymbol x}_T$ at large $T$ approximates $μ$. The drift ${\boldsymbol m}:\mathbb{R}^d\times\mathbb{R}\to\mathbb{R}^d$ of this diffusion process is learned my minimizing a score-matching objective. Is every probability distribution $μ$, for which sampling is tractable, also amenable to sampling via diffusions? We provide evidence to the contrary by studying a probability distribution $μ$ for which sampling is easy, but the drift of the diffusion process is intractable -- under a popular conjecture on information-computation gaps in statistical estimation. We show that there exist drifts that are superpolynomially close to the optimum value (among polynomial time drifts) and yet yield samples with distribution that is very far from the target one.

stat.ML

Phase Transitions for Feature Learning in Neural Networks

According to a popular viewpoint, neural networks learn from data by first identifying low-dimensional representations, and subsequently fitting the best model in this space. Recent works provide a formalization of this phenomenon when learning multi-index models. In this setting, we are given $n$ i.i.d. pairs $({\boldsymbol x}_i,y_i)$, where the covariate vectors ${\boldsymbol x}_i\in\mathbb{R}^d$ are isotropic, and responses $y_i$ only depend on ${\boldsymbol x}_i$ through a $k$-dimensional projection ${\boldsymbol Θ}_*^{\sf T}{\boldsymbol x}_i$. Feature learning amounts to learning the latent space spanned by ${\boldsymbol Θ}_*$. In this context, we study the gradient descent dynamics of two-layer neural networks under the proportional asymptotics $n,d\to\infty$, $n/d\toδ$, while the dimension of the latent space $k$ and the number of hidden neurons $m$ are kept fixed. Earlier work establishes that feature learning via polynomial-time algorithms is possible if $δ> δ_{\text{alg}}$, for $δ_{\text{alg}}$ a threshold depending on the data distribution, and is impossible (within a certain class of algorithms) below $δ_{\text{alg}}$. Here we derive an analogous threshold $δ_{\text{NN}}$ for two-layer networks. Our characterization of $δ_{\text{NN}}$ opens the way to study the dependence of learning dynamics on the network architecture and training algorithm. The threshold $δ_{\text{NN}}$ is determined by the following scenario. Training first visits points for which the gradient of the empirical risk is large and learns the directions spanned by these gradients. Then the gradient becomes smaller and the dynamics becomes dominated by negative directions of the Hessian. The threshold $δ_{\text{NN}}$ corresponds to a phase transition in the spectrum of the Hessian in this second phase.

cs.LG

Spin Glass Concepts in Computer Science, Statistics, and Learning

Spin glass theory studies the structure of sublevel sets and minima (or near-minima) of certain classes of random functions in high dimension. Near-minima of random functions also play an important role in high-dimensional statistics and statistical learning, where minimizing the empirical risk (which is a random function of the model parameters) is the method of choice for learning a statistical model from noisy data. Finally, near-minima of random functions are obviously central to average-case analysis of optimization algorithms. Computer science, statistics, and machine learning naturally lead to questions that are traditionally not addressed within physics and mathematical physics. I will try to explain how ideas from spin glass theory have seeded recent developments in these fields. (This article was written on the occasion of the 2024 Abel Prize to Michel Talagrand.)

math.PR

Topological trivialization in non-convex empirical risk minimization

Given data $\{({\boldsymbol x}_i,y_i): i\le n\}$, with ${\boldsymbol x}_i$ standard $d$-dimensional Gaussian feature vectors, and $y_i\in{\mathbb R}$ response variables, we study the general problem of learning a model parametrized by ${\boldsymbol θ}\in{\mathbb R}^d$, by minimizing a loss function that depends on ${\boldsymbol θ}$ via the one-dimensional projections ${\boldsymbol θ}^{\sf T}{\boldsymbol x}_i$. While previous work mostly dealt with convex losses, our approach assumes general (non-convex) losses hence covering classical, yet poorly understood examples such as the perceptron and non-convex robust regression. We use the Kac-Rice formula to control the asymptotics of the expected number of local minima of the empirical risk, under the proportional asymptotics $n,d\to\infty$, $n/d\toα>1$. Specifically, we prove a finite dimensional variational formula for the exponential growth rate of the expected number of local minima. Further we provide sufficient conditions under which the exponential growth rate vanishes and all empirical risk minimizers have the same asymptotic properties (in fact, we expect the minimizer to be unique in these circumstances). We refer to this phenomenon as `rate trivialization.' If the population risk has a unique minimizer, our sufficient condition for rate trivialization is typically verified when the samples/parameters ratio $α$ is larger than a suitable constant $α_{\star}$. Previous general results of this type required $n\ge Cd \log d$. We illustrate our results in the case of non-convex robust regression. Based on heuristic arguments and numerical simulations, we present a conjecture for the exact location of the trivialization phase transition $α_{\text{tr}}$.

math.ST

Local minima of the empirical risk in high dimension: General theorems and convex examples

We consider a general model for high-dimensional empirical risk minimization whereby the data $\mathbf{x}_i$ are $d$-dimensional Gaussian vectors, the model is parametrized by $\mathbfΘ\in\mathbb{R}^{d\times k}$, and the loss depends on the data via the projection $\mathbfΘ^\mathsf{T}\mathbf{x}_i$. This setting covers as special cases classical statistics methods (e.g. multinomial regression and other generalized linear models), but also two-layer fully connected neural networks with $k$ hidden neurons. We use the Kac-Rice formula from Gaussian process theory to derive a bound on the expected number of local minima of this empirical risk, under the proportional asymptotics in which $n,d\to\infty$, with $n\asymp d$. Via Markov's inequality, this bound allows to determine the positions of these minimizers (with exponential deviation bounds) and hence derive sharp asymptotics on the estimation and prediction error. As a special case, we apply our characterization to convex losses. We show that our approach is tight and allows to prove previously conjectured results. In addition, we characterize the spectrum of the Hessian at the minimizer. A companion paper applies our general result to non-convex examples.

stat.ML

Dynamical Decoupling of Generalization and Overfitting in Large Two-Layer Networks

Understanding the inductive bias and generalization properties of large overparametrized machine learning models requires to characterize the dynamics of the training algorithm. We study the learning dynamics of large two-layer neural networks via dynamical mean field theory, a well established technique of non-equilibrium statistical physics. We show that, for large network width $m$, and large number of samples per input dimension $n/d$, the training dynamics exhibits a separation of timescales which implies: $(i)$~The emergence of a slow time scale associated with the growth in Gaussian/Rademacher complexity of the network; $(ii)$~Inductive bias towards small complexity if the initialization has small enough complexity; $(iii)$~A dynamical decoupling between feature learning and overfitting regimes; $(iv)$~A non-monotone behavior of the test error, associated `feature unlearning' regime at large times.

stat.ML

Which exceptional low-dimensional projections of a Gaussian point cloud can be found in polynomial time?

Given $d$-dimensional standard Gaussian vectors $\boldsymbol{x}_1,\dots, \boldsymbol{x}_n$, we consider the set of all empirical distributions of its $m$-dimensional projections, for $m$ a fixed constant. Diaconis and Freedman (1984) proved that, if $n/d\to \infty$, all such distributions converge to the standard Gaussian distribution. In contrast, we study the proportional asymptotics, whereby $n,d\to \infty$ with $n/d\to α\in (0, \infty)$. In this case, the projection of the data points along a typical random subspace is again Gaussian, but the set $\mathscr{F}_{m,α}$ of all probability distributions that are asymptotically feasible as $m$-dimensional projections contains non-Gaussian distributions corresponding to exceptional subspaces. Non-rigorous methods from statistical physics yield an indirect characterization of $\mathscr{F}_{m,α}$ in terms of a generalized Parisi formula. Motivated by the goal of putting this formula on a rigorous basis, and to understand whether these projections can be found efficiently, we study the subset $\mathscr{F}^{\rm alg}_{m,α}\subseteq \mathscr{F}_{m,α}$ of distributions that can be realized by a class of iterative algorithms. We prove that this set is characterized by a certain stochastic optimal control problem, and obtain a dual characterization of this problem in terms of a variational principle that extends Parisi's formula. As a byproduct, we obtain computationally achievable values for a class of random optimization problems including `generalized spherical perceptron' models.

math.PR

Train on Validation (ToV): Fast data selection with applications to fine-tuning

State-of-the-art machine learning often follows a two-stage process: $(i)$~pre-training on large, general-purpose datasets; $(ii)$~fine-tuning on task-specific data. In fine-tuning, selecting training examples that closely reflect the target distribution is crucial. However, it is often the case that only a few samples are available from the target distribution. Existing data selection methods treat these target samples as a validation set and estimate the effect of adding or removing a single sample from the training pool by performing inference on the validation set. We propose a simpler and faster alternative that inverts the usual role of train and validation: we perform inference on the training pool before and after fine-tuning on the validation set. We then select samples whose predictions change the most. Our key insight is that the training samples most affected by fine-tuning on a small validation set tend to be the most beneficial for reducing test loss on the target distribution. Experiments on instruction tuning and named entity recognition tasks show that, in most cases, our method achieves lower test log-loss than state-of-the-art approaches. We support our findings with theoretical analysis.

cs.LG

Sampling, Diffusions, and Stochastic Localization

Diffusions are a successful technique to sample from high-dimensional distributions. The target distribution can be either explicitly given or learnt from a collection of samples. They implement a diffusion process whose endpoint is a sample from the target distribution. The drift of the diffusion process is typically represented as a neural network. Stochastic localization is a successful technique to prove mixing of Markov Chains and other functional inequalities in high dimension. An algorithmic version of stochastic localization was recently proposed in order to sample from certain statistical mechanics models. This expository article has three objectives: $(i)$~Generalize the algorithmic construction to other stochastic localization processes. This construction is both simple and broadly applicable; $(ii)$~Clarify the connection between diffusions and stochastic localization. This allows to derive several known sampling schemes in a unified fashion; $(iii)$~Describe the insights that follow from this unified viewpoint.

cs.LG

Dimension free ridge regression

Random matrix theory has become a widely useful tool in high-dimensional statistics and theoretical machine learning. However, random matrix theory is largely focused on the proportional asymptotics in which the number of columns grows proportionally to the number of rows of the data matrix. This is not always the most natural setting in statistics where columns correspond to covariates and rows to samples. With the objective to move beyond the proportional asymptotics, we revisit ridge regression ($\ell_2$-penalized least squares) on i.i.d. data $(x_i, y_i)$, $i\le n$, where $x_i$ is a feature vector and $y_i = β^\top x_i +ε_i \in\mathbb{R}$ is a response. We allow the feature vector to be high-dimensional, or even infinite-dimensional, in which case it belongs to a separable Hilbert space, and assume either $z_i := Σ^{-1/2}x_i$ to have i.i.d. entries, or to satisfy a certain convex concentration property. Within this setting, we establish non-asymptotic bounds that approximate the bias and variance of ridge regression in terms of the bias and variance of an `equivalent' sequence model (a regression model with diagonal design matrix). The approximation is up to multiplicative factors bounded by $(1\pm Δ)$ for some explicitly small $Δ$. Previously, such an approximation result was known only in the proportional regime and only up to additive errors: in particular, it did not allow to characterize the behavior of the excess risk when this converges to $0$. Our general theory recovers earlier results in the proportional regime (with better error rates). As a new application, we obtain a completely explicit and sharp characterization of ridge regression for Hilbert covariates with regularly varying spectrum. Finally, we analyze the overparametrized near-interpolation setting and obtain sharp `benign overfitting' guarantees.

math.ST

Overparametrized linear dimensionality reductions: From projection pursuit to two-layer neural networks

Given a cloud of $n$ data points in $\mathbb{R}^d$, consider all projections onto $m$-dimensional subspaces of $\mathbb{R}^d$ and, for each such projection, the empirical distribution of the projected points. What does this collection of probability distributions look like when $n,d$ grow large? We consider this question under the null model in which the points are i.i.d. standard Gaussian vectors, focusing on the asymptotic regime in which $n,d\to\infty$, with $n/d\toα\in (0,\infty)$, while $m$ is fixed. Denoting by $\mathscr{F}_{m, α}$ the set of probability distributions in $\mathbb{R}^m$ that arise as low-dimensional projections in this limit, we establish new inner and outer bounds on $\mathscr{F}_{m, α}$. In particular, we characterize the Wasserstein radius of $\mathscr{F}_{m,α}$ up to constant multiplicative factors, and determine it exactly for $m=1$. We also prove sharp bounds in terms of Kullback-Leibler divergence and Rényi information dimension. The previous question has application to unsupervised learning methods, such as projection pursuit and independent component analysis. We introduce a version of the same problem that is relevant for supervised learning, and prove a sharp Wasserstein radius bound. As an application, we establish an upper bound on the interpolation threshold of two-layers neural networks with $m$ hidden neurons.

stat.ML