Lenka Zdeborová

dblp:27/6064 · DBLP profile ↗
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71ranked-venue papers
1as first author
34since 2021 · last 2026
0000-0002-8377-3978ORCID · verified

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Artificial intelligence and machine learning · 50 · 31 since 2021Applied, interdisciplinary, general and emerging computing · 10 · 1 since 2021Theory of computation · 9 · 1 first-author · 2 since 2021Graphics, computer vision, multimedia, augmented reality and games · 2
YearPublicationVenuePosition
2026 Rigorous Asymptotics for First-Order Algorithms Through the Dynamical Cavity Method
abstract
Dynamical Mean Field Theory (DMFT) provides an asymptotic description of the dynamics of macroscopic observables in certain disordered systems. Originally pioneered in the context of spin glasses, it has since been used to derive asymptotic dynamical equations for a wide range of models in physics, high-dimensional statistics and machine learning. One of the main tools used by physicists to obtain these equations is the dynamical cavity method, which has remained largely non-rigorous. In contrast, existing mathematical formalizations have relied on alternative approaches, including Gaussian conditioning, large deviations over paths, or Fourier analysis. In this work, we formalize the dynamical cavity method and use it to give a new proof of the DMFT equations for General First Order Methods, a broad class of dynamics encompassing algorithms such as Gradient Descent and Approximate Message Passing.
Yatin Dandi, David Gamarnik, Francisco Pernice, Lenka Zdeborová
COLT4
2025 Fundamental computational limits of weak learnability in high-dimensional multi-index models
abstract
Multi-index models - functions which only depend on the covariates through a non-linear transformation of their projection on a subspace - are a useful benchmark for investigating feature learning with neural networks. This paper examines the theoretical boundaries of efficient learnability in this hypothesis class, focusing particularly on the minimum sample complexity required for weakly recovering their low-dimensional structure with first-order iterative algorithms, in the high-dimensional regime where the number of samples is $n=\alpha d$ is proportional to the covariate dimension $d$. Our findings unfold in three parts: (i) first, we identify under which conditions a \textit{trivial subspace} can be learned with a single step of a first-order algorithm for any $\alpha>0$; (ii) second, in the case where the trivial subspace is empty, we provide necessary and sufficient conditions for the existence of an {\it easy subspace} consisting of directions that can be learned only above a certain sample complexity $\alpha>\alpha_c$. The critical threshold $\alpha_{c}$ marks the presence of a computational phase transition, in the sense that it is conjectured that no efficient iterative algorithm can succeed for $\alpha<\alpha_c$. In a limited but interesting set of really hard directions -akin to the parity problem- $\alpha_c$ is found to diverge. Finally, (iii) we demonstrate that interactions between different directions can result in an intricate hierarchical learning phenomenon, where some directions can be learned sequentially when coupled to easier ones. Our analytical approach is built on the optimality of approximate message-passing algorithms among first-order iterative methods, delineating the fundamental learnability limit across a broad spectrum of algorithms, including neural networks trained with gradient descent.
Emanuele Troiani, Yatin Dandi, Leonardo Defilippis, Lenka Zdeborová, Bruno Loureiro, Florent Krzakala
AISTATS4
2025 Fundamental Limits of Matrix Sensing: Exact Asymptotics, Universality, and Applications
abstract
In the matrix sensing problem, one wishes to reconstruct a matrix from (possibly noisy) observations of its linear projections along given directions. We consider this model in the high-dimensional limit: while previous works on this model primarily focused on the recovery of low-rank matrices, we consider in this work more general classes of structured signal matrices with potentially large rank, e.g. a product of two matrices of sizes proportional to the dimension. We provide rigorous asymptotic equations characterizing the Bayes-optimal learning performance from a number of samples which is proportional to the number of entries in the matrix. Our proof is composed of three key ingredients: $(i)$ we prove universality properties to handle structured sensing matrices, related to the “Gaussian equivalence” phenomenon in statistical learning, $(ii)$ we provide a sharp characterization of Bayes-optimal learning in generalized linear models with Gaussian data and structured matrix priors, generalizing previously studied settings, and $(iii)$ we leverage previous works on the problem of matrix denoising. The generality of our results allow for a variety of applications: notably, we mathematically establish predictions obtained via non-rigorous methods from statistical physics in Erba et al. (2024) regarding Bilinear Sequence Regression, a benchmark model for learning from sequences of tokens, and in Maillard et al. (2024) on Bayes-optimal learning in neural networks with quadratic activation function, and width proportional to the dimension.
Antoine Maillard, Lenka Zdeborová, Florent Krzakala
COLT3
2025 Counting in Small Transformers: The Delicate Interplay between Attention and Feed-Forward Layers
abstract
Next to scaling considerations, architectural design choices profoundly shape the solution space of transformers. In this work, we analyze the solutions simple transformer blocks implement when tackling the histogram task: counting items in sequences. Despite its simplicity, this task reveals a complex interplay between predictive performance, vocabulary and embedding sizes, token-mixing mechanisms, and feed-forward layer capacity. We identify two theoretical counting strategies transformers adopt, relation-based and inventory-based counting, each defining distinct learning regimes for the task. These strategies dictate how functionality is distributed between attention and feed-forward layers. We further show that adding softmax and beginning-of-sequence tokens allow for more robustness when embedding dimensions are comparatively small. Empirical introspection of trained models closely confirms both the learning regimes of the various architectures and the formation of these strategies during training. We demonstrate how a basic task that requires only aggregation and selection is significantly impacted by minor design changes.
Freya Behrens, Luca Biggio, Lenka Zdeborová
ICML3
2025 Fundamental limits of learning in sequence multi-index models and deep attention networks: high-dimensional asymptotics and sharp thresholds
abstract
In this manuscript, we study the learning of deep attention neural networks, defined as the composition of multiple self-attention layers, with tied and low-rank weights. We first establish a mapping of such models to sequence multi-index models, a generalization of the widely studied multi-index model to sequential covariates, for which we establish a number of general results. In the context of Bayes-optimal learning, in the limit of large dimension $D$ and proportionally large number of samples $N$, we derive a sharp asymptotic characterization of the optimal performance as well as the performance of the best-known polynomial-time algorithm for this setting –namely approximate message-passing–, and characterize sharp thresholds on the minimal sample complexity required for better-than-random prediction performance. Our analysis uncovers, in particular, how the different layers are learned sequentially. Finally, we discuss how this sequential learning can also be observed in a realistic setup.
Emanuele Troiani, Hugo Cui, Yatin Dandi, Florent Krzakala, Lenka Zdeborová
ICML5
2025 Asymptotics of SGD in Sequence-Single Index Models and Single-Layer Attention Networks
abstract
We study the dynamics of stochastic gradient descent (SGD) for a class of sequence models termed Sequence Single-Index (SSI) models, where the target depends on a single direction in input space applied to a sequence of tokens. This setting generalizes classical single-index models to the sequential domain, encompassing simplified one-layer attention architectures. We derive a closed-form expression for the population loss in terms of a pair of sufficient statistics capturing semantic and positional alignment, and characterize the induced high-dimensional SGD dynamics for these coordinates. Our analysis reveals two distinct training phases: escape from uninformative initialization and alignment with the target subspace, and demonstrates how the sequence length and positional encoding influence convergence speed and learning trajectories. These results provide a rigorous and interpretable foundation for understanding how sequential structure in data can be beneficial for learning with attention-based models.
Luca Arnaboldi 0002, Bruno Loureiro, Ludovic Stephan, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2025 Bayes optimal learning of attention-indexed models
abstract
We introduce the attention-indexed model (AIM), a theoretical framework for analyzing learning in deep attention layers. Inspired by multi-index models, AIM captures how token-level outputs emerge from layered bilinear interactions over high-dimensional embeddings. Unlike prior tractable attention models, AIM allows full-width key and query matrices, aligning more closely with practical transformers. Using tools from statistical mechanics and random matrix theory, we derive closed-form predictions for Bayes-optimal generalization error and identify sharp phase transitions as a function of sample complexity, model width, and sequence length. We propose a matching approximate message passing algorithm and show that gradient descent can reach optimal performance. AIM offers a solvable playground for understanding learning in self-attention layers, that are key components of modern architectures.
Fabrizio Boncoraglio, Emanuele Troiani, Vittorio Erba, Lenka Zdeborová
NeurIPS4
2025 The Computational Advantage of Depth in Learning High-Dimensional Hierarchical Targets
abstract
Understanding the advantages of deep neural networks trained by gradient descent (GD) compared to shallow models remains an open theoretical challenge. In this paper, we introduce a class of target functions (single and multi-index Gaussian hierarchical targets) that incorporate a hierarchy of latent subspace dimensionalities. This framework enables us to analytically study the learning dynamics and generalization performance of deep networks compared to shallow ones in the high-dimensional limit. Specifically, our main theorem shows that feature learning with GD successively reduces the effective dimensionality, transforming a high-dimensional problem into a sequence of lower-dimensional ones. This enables learning the target function with drastically less samples than with shallow networks. While the results are proven in a controlled training setting, we also discuss more common training procedures and argue that they learn through the same mechanisms. These findings open the way to further quantitative studies of the crucial role of depth in learning hierarchical structures with deep networks.
Yatin Dandi, Luca Pesce, Lenka Zdeborová, Florent Krzakala
NeurIPS3
2025 The Nuclear Route: Sharp Asymptotics of ERM in Overparameterized Quadratic Networks
abstract
We study the high-dimensional asymptotics of empirical risk minimization (ERM) in over-parametrized two-layer neural networks with quadratic activations trained on synthetic data. We derive sharp asymptotics for both training and test errors by mapping the $\ell_2$-regularized learning problem to a convex matrix sensing task with nuclear norm penalization. This reveals that capacity control in such networks emerges from a low-rank structure in the learned feature maps. Our results characterize the global minima of the loss and yield precise generalization thresholds, showing how the width of the target function governs learnability. This analysis bridges and extends ideas from spin-glass methods, matrix factorization, and convex optimization and emphasizes the deep link between low-rank matrix sensing and learning in quadratic neural networks.
Vittorio Erba, Emanuele Troiani, Lenka Zdeborová, Florent Krzakala
NeurIPS3
2025 Learning with Restricted Boltzmann Machines: Asymptotics of AMP and GD in High Dimensions
abstract
The Restricted Boltzmann Machine (RBM) is one of the simplest generative neural networks capable of learning input distributions. Despite its simplicity, the analysis of its performance in learning from the training data is only well understood in cases that essentially reduce to singular value decomposition of the data. Here, we consider the limit of a large dimension of the input space and a constant number of hidden units. In this limit, we simplify the standard RBM training objective into a form that is equivalent to the multi-index model with non-separable regularization. This opens a path to analyze training of the RBM using methods that are established for multi-index models, such as Approximate Message Passing (AMP) and its state evolution, and the analysis of Gradient Descent (GD) via the dynamical mean-field theory. We then give rigorous asymptotics of the training dynamics of RBMs on data generated by the spiked covariance model as a prototype of a structure suitable for unsupervised learning. We show in particular that RBMs reach the optimal computational weak recovery threshold, aligning with the Baik-Ben Arous-Péché (BBP) transition, in the spiked covariance model.
Florent Krzakala, Lenka Zdeborová
NeurIPS3
2025 Building Conformal Prediction Intervals with Approximate Message Passing
abstract
Conformal prediction has emerged as a powerful tool for building prediction intervals that are valid in a distribution-free way. However, its evaluation may be computationally costly, especially in the high-dimensional setting where the dimensionality and sample sizes are both large and of comparable magnitudes. To address this challenge in the context of generalized linear regression, we propose a novel algorithm based on Approximate Message Passing (AMP) to accelerate the computation of prediction intervals using full conformal prediction, by approximating the computation of conformity scores. Our work bridges a gap between modern uncertainty quantification techniques and tools for high-dimensional problems involving the AMP algorithm. We evaluate our method on both synthetic and real data, and show that it produces prediction intervals that are close to the baseline methods, while being orders of magnitude faster. Additionally, in the high-dimensional limit and under assumptions on the data distribution, the conformity scores computed by AMP converge to the one computed exactly, which allows theoretical study and benchmarking of conformal methods in high dimensions.
Lucas Clarté, Lenka Zdeborová
UAI2
2024 Fundamental Limits of Non-Linear Low-Rank Matrix Estimation
abstract
We consider the task of estimating a low-rank matrix from non-linear and noisy observations. We prove a strong universality result showing that Bayes-optimal performances are characterized by an equivalent Gaussian model with an effective prior, whose parameters are entirely determined by an expansion of the non-linear function. In particular, we show that to reconstruct the signal accurately, one requires a signal-to-noise ratio growing as \(N^{\frac 12 (1-1/k_F)}\), where \(k_F\){is} the first non-zero Fisher information coefficient of the function. We provide asymptotic characterization for the minimal achievable mean squared error (MMSE) and an approximate message-passing algorithm that reaches the MMSE under conditions analogous to the linear version of the problem. We also provide asymptotic errors achieved by methods such as principal component analysis combined with Bayesian denoising, and compare them with Bayes-optimal MMSE.
Pierre Mergny, Justin Ko, Florent Krzakala, Lenka Zdeborová
COLT4
2024 Analysis of Learning a Flow-based Generative Model from Limited Sample Complexity
abstract
We study the problem of training a flow-based generative model, parametrized by a two-layer autoencoder, to sample from a high-dimensional Gaussian mixture. We provide a sharp end-to-end analysis of the problem. First, we provide a tight closed-form characterization of the learnt velocity field, when parametrized by a shallow denoising auto-encoder trained on a finite number $n$ of samples from the target distribution. Building on this analysis, we provide a sharp description of the corresponding generative flow, which pushes the base Gaussian density forward to an approximation of the target density. In particular, we provide closed-form formulae for the distance between the means of the generated mixture and the mean of the target mixture, which we show decays as $\Theta_n(\frac{1}{n})$. Finally, this rate is shown to be in fact Bayes-optimal.
Hugo Cui, Florent Krzakala, Eric Vanden-Eijnden, Lenka Zdeborová
ICLR4
2024 Asymptotics of feature learning in two-layer networks after one gradient-step
abstract
In this manuscript, we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging the insight from (Ba et al., 2022), we model the trained network by a spiked Random Features (sRF) model. Further building on recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error of the sRF in the high-dimensional limit where the number of samples, the width, and the input dimension grow at a proportional rate. The resulting characterization for sRFs also captures closely the learning curves of the original network model. This enables us to understand how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient - where at initialization it can only express linear functions in this regime.
Hugo Cui, Luca Pesce, Yatin Dandi, Florent Krzakala, Yue M. Lu, Lenka Zdeborová, Bruno Loureiro
ICML6
2024 The Benefits of Reusing Batches for Gradient Descent in Two-Layer Networks: Breaking the Curse of Information and Leap Exponents
abstract
We investigate the training dynamics of two-layer neural networks when learning multi-index target functions. We focus on multi-pass gradient descent (GD) that reuses the batches multiple times and show that it significantly changes the conclusion about which functions are learnable compared to single-pass gradient descent. In particular, multi-pass GD with finite stepsize is found to overcome the limitations of gradient flow and single-pass GD given by the information exponent (Ben Arous et al., 2021) and leap exponent (Abbe et al., 2023) of the target function. We show that upon re-using batches, the network achieves in just two time steps an overlap with the target subspace even for functions not satisfying the staircase property (Abbe et al., 2021). We characterize the (broad) class of functions efficiently learned in finite time. The proof of our results is based on the analysis of the Dynamical Mean-Field Theory (DMFT). We further provide a closed-form description of the dynamical process of the low-dimensional projections of the weights, and numerical experiments illustrating the theory.
Yatin Dandi, Emanuele Troiani, Luca Arnaboldi 0002, Luca Pesce, Lenka Zdeborová, Florent Krzakala
ICML5
2024 A Phase Transition between Positional and Semantic Learning in a Solvable Model of Dot-Product Attention
abstract
Many empirical studies have provided evidence for the emergence of algorithmic mechanisms (abilities) in the learning of language models, that lead to qualitative improvements of the model capabilities. Yet, a theoretical characterization of how such mechanisms emerge remains elusive. In this paper, we take a step in this direction by providing a tight theoretical analysis of the emergence of semantic attention in a solvable model of dot-product attention. More precisely, we consider a non-linear self-attention layer with trainable tied and low-rank query and key matrices. In the asymptotic limit of high-dimensional data and a comparably large number of training samples we provide a tight closed-form characterization of the global minimum of the non-convex empirical loss landscape. We show that this minimum corresponds to either a positional attention mechanism (with tokens attending to each other based on their respective positions) or a semantic attention mechanism (with tokens attending to each other based on their meaning), and evidence an emergent phase transition from the former to the latter with increasing sample complexity. Finally, we compare the dot-product attention layer to a linear positional baseline, and show that it outperforms the latter using the semantic mechanism provided it has access to sufficient data.
Hugo Cui, Freya Behrens, Florent Krzakala, Lenka Zdeborová
NeurIPS4
2024 Bayes-optimal learning of an extensive-width neural network from quadratically many samples
abstract
We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui et al., 2023] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.
Antoine Maillard, Emanuele Troiani, Simon Martin 0008, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2024 Analysis of Bootstrap and Subsampling in High-dimensional Regularized Regression
abstract
We investigate popular resampling methods for estimating the uncertainty of statistical models, such as subsampling, bootstrap and the jackknife, and their performance in high-dimensional supervised regression tasks. We provide a tight asymptotic description of the biases and variances estimated by these methods in the context of generalized linear models, such as ridge and logistic regression, taking the limit where the number of samples $n$ and dimension $d$ of the covariates grow at a comparable rate: $\alpha=n/d$ fixed. Our findings are three-fold: i) resampling methods are fraught with problems in high dimensions and exhibit the double-descent-like behavior typical of these situations; ii) only when $\alpha$ is large enough do they provide consistent and reliable error estimations (we give convergence rates); iii) in the over-parametrized regime $\alpha<1$ relevant to modern machine learning practice, their predictions are not consistent, even with optimal regularization.
Lucas Clarté, Adrien Vandenbroucque, Guillaume Dalle, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
UAI6
2023 On double-descent in uncertainty quantification in overparametrized models
abstract
Uncertainty quantification is a central challenge in reliable and trustworthy machine learning. Naive measures such as last-layer scores are well-known to yield overconfident estimates in the context of overparametrized neural networks. Several methods, ranging from temperature scaling to different Bayesian treatments of neural networks, have been proposed to mitigate overconfidence, most often supported by the numerical observation that they yield better calibrated uncertainty measures. In this work, we provide a sharp comparison between popular uncertainty measures for binary classification in a mathematically tractable model for overparametrized neural networks: the random features model. We discuss a trade-off between classification accuracy and calibration, unveiling a double descent behavior in the calibration curve of optimally regularised estimators as a function of overparametrization. This is in contrast with the empirical Bayes method, which we show to be well calibrated in our setting despite the higher generalization error and overparametrization.
Lucas Clarté, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
AISTATS4
2023 Bayes-optimal Learning of Deep Random Networks of Extensive-width
abstract
We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width are proportionally large and propose a closed-form expression for the Bayes-optimal test error, for regression and classification tasks. We further compute closed-form expressions for the test errors of ridge regression, kernel and random features regression. We find, in particular, that optimally regularized ridge regression, as well as kernel regression, achieve Bayes-optimal performances, while the logistic loss yields a near-optimal test error for classification. We further show numerically that when the number of samples grows faster than the dimension, ridge and kernel methods become suboptimal, while neural networks achieve test error close to zero from quadratically many samples.
Hugo Cui, Florent Krzakala, Lenka Zdeborová
ICML3
2023 Compressed sensing with ℓ0-norm: statistical physics analysis & algorithms for signal recovery
abstract
Noiseless compressive sensing is a protocol that enables undersampling and later recovery of a signal without loss of information. This compression is possible because the signal is usually sufficiently sparse in a given basis. Currently, the algorithm offering the best tradeoff between compression rate, robustness, and speed for compressive sensing is the LASSO (ℓ1-norm bias) algorithm. However, many studies have pointed out the possibility that the implementation of ℓp-norms biases, with p smaller than one, could give better performance while sacrificing convexity. In this work, we focus specifically on the extreme case of the ℓ0-based reconstruction, a task that is complicated by the discontinuity of the loss. In the first part of the paper, we describe via statistical physics methods, and in particular the replica method, how the solutions to this optimization problem are arranged in a clustered structure. We observe two distinct regimes: one at low compression rate where the signal can be recovered exactly, and one at high compression rate where the signal cannot be recovered accurately. In the second part, we present two message-passing algorithms based on our first results for the ℓ0-norm optimization problem. The proposed algorithms are able to recover the signal at compression rates higher than the ones achieved by LASSO while being computationally efficient.
Damien Barbier, Carlo Lucibello, Luca Saglietti, Florent Krzakala, Lenka Zdeborová
ITW5
2023 High-dimensional Asymptotics of Denoising Autoencoders
abstract
We address the problem of denoising data from a Gaussian mixture using a two-layer non-linear autoencoder with tied weights and a skip connection. We consider the high-dimensional limit where the number of training samples and the input dimension jointly tend to infinity while the number of hidden units remains bounded. We provide closed-form expressions for the denoising mean-squared test error. Building on this result, we quantitatively characterize the advantage of the considered architecture over the autoencoder without the skip connection that relates closely to principal component analysis. We further show that our results capture accurately the learning curves on a range of real datasets.
Hugo Cui, Lenka Zdeborová
NeurIPS2
2023 Universality laws for Gaussian mixtures in generalized linear models
abstract
A recent line of work in high-dimensional statistics working under the Gaussian mixture hypothesis has led to a number of results in the context of empirical risk minimization, Bayesian uncertainty quantification, separation of kernel methods and neural networks, ensembling and fluctuation of random features. We provide rigorous proofs for the applicability of these results to a general class of datasets $(\mathbf{x_i},y_i, {i=1,\dots,n})$ containing independent samples from a mixture distribution $\sum_{c\in\mathcal{C}} \rho_{c}P_{c}^{\mathbf{x}}$. Specifically, we consider the hypothesis class of generalized linear models $\hat{y} = F(\mathbf{\Theta}^{\top}\mathbf{x})$ and investigate the asymptotic joint statistics of a family of generalized linear estimators $(\mathbf{\Theta}^{(1)}, \dots, \mathbf{\Theta}^{(M)})$, obtained either from (a) minimizing an empirical risk $\hat{R_n}^{(m)}(\mathbf{\Theta}^{(m)};\mathbf{X},\mathbf{y})$ or (b) sampling from the associated Gibbs measure $\exp(-\beta n \hat{R_n}^{(m)}(\mathbf{\Theta}^{(m)};\mathbf{X},\mathbf{y}))$. Our main contribution is to characterize under which conditions the asymptotic joint statistics of this family depends (on a weak sense) only on the means and covariances of the class conditional features distribution $P_{c}^{\mathbf{x}}$. This allows us to prove the universality of different quantities of interest, including training, generalization errors, as well as the geometrical properties and correlations of the estimators.
Yatin Dandi, Ludovic Stephan, Florent Krzakala, Bruno Loureiro, Lenka Zdeborová
NeurIPS5
2023 Expectation consistency for calibration of neural networks
abstract
Despite their incredible performance, it is well reported that deep neural networks tend to be overoptimistic about their prediction confidence. Finding effective and efficient calibration methods for neural networks is therefore an important endeavour towards better uncertainty quantification in deep learning. In this manuscript, we introduce a novel calibration technique named expectation consistency (EC), consisting of a post-training rescaling of the last layer weights by enforcing that the average validation confidence coincides with the average proportion of correct labels. First, we show that the EC method achieves similar calibration performance to temperature scaling (TS) across different neural network architectures and data sets, all while requiring similar validation samples and computational resources. However, we argue that EC provides a principled method grounded on a Bayesian optimality principle known as the Nishimori identity. Next, we provide an asymptotic characterization of both TS and EC in a synthetic setting and show that their performance crucially depends on the target function. In particular, we discuss examples where EC significantly outperforms TS.
Lucas Clarté, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
UAI4
2023 Tree-AMP: Compositional Inference with Tree Approximate Message Passing
abstract
We introduce Tree-AMP, standing for Tree Approximate Message Passing, a python package for compositional inference in high-dimensional tree-structured models. The package provides a unifying framework to study several approximate message passing algorithms previously derived for a variety of machine learning tasks such as generalized linear models, inference in multi-layer networks, matrix factorization, and reconstruction using non-separable penalties. For some models, the asymptotic performance of the algorithm can be theoretically predicted by the state evolution, and the measurements entropy estimated by the free entropy formalism. The implementation is modular by design: each module, which implements a factor, can be composed at will with other modules to solve complex inference tasks. The user only needs to declare the factor graph of the model: the inference algorithm, state evolution and entropy estimation are fully automated.
Antoine Baker, Florent Krzakala, Benjamin Aubin, Lenka Zdeborová
J. Mach. Learn. Res.4
2023 Bayesian reconstruction of memories stored in neural networks from their connectivity
abstract
The advent of comprehensive synaptic wiring diagrams of large neural circuits has created the field of connectomics and given rise to a number of open research questions. One such question is whether it is possible to reconstruct the information stored in a recurrent network of neurons, given its synaptic connectivity matrix. Here, we address this question by determining when solving such an inference problem is theoretically possible in specific attractor network models and by providing a practical algorithm to do so. The algorithm builds on ideas from statistical physics to perform approximate Bayesian inference and is amenable to exact analysis. We study its performance on three different models, compare the algorithm to standard algorithms such as PCA, and explore the limitations of reconstructing stored patterns from synaptic connectivity.
Sebastian Goldt, Florent Krzakala, Lenka Zdeborová, Nicolas Brunel
PLoS Comput. Biol.3
2022 Multi-layer State Evolution Under Random Convolutional Design
abstract
Signal recovery under generative neural network priors has emerged as a promising direction in statistical inference and computational imaging. Theoretical analysis of reconstruction algorithms under generative priors is, however, challenging. For generative priors with fully connected layers and Gaussian i.i.d. weights, this was achieved by the multi-layer approximate message (ML-AMP) algorithm via a rigorous state evolution. However, practical generative priors are typically convolutional, allowing for computational benefits and inductive biases, and so the Gaussian i.i.d. weight assumption is very limiting. In this paper, we overcome this limitation and establish the state evolution of ML-AMP for random convolutional layers. We prove in particular that random convolutional layers belong to the same universality class as Gaussian matrices. Our proof technique is of an independent interest as it establishes a mapping between convolutional matrices and spatially coupled sensing matrices used in coding theory.
Max Daniels, Cédric Gerbelot, Florent Krzakala, Lenka Zdeborová
NeurIPS4
2022 Subspace clustering in high-dimensions: Phase transitions & Statistical-to-Computational gap
abstract
A simple model to study subspace clustering is the high-dimensional $k$-Gaussian mixture model where the cluster means are sparse vectors. Here we provide an exact asymptotic characterization of the statistically optimal reconstruction error in this model in the high-dimensional regime with extensive sparsity, i.e. when the fraction of non-zero components of the cluster means $\rho$, as well as the ratio $\alpha$ between the number of samples and the dimension are fixed, while the dimension diverges. We identify the information-theoretic threshold below which obtaining a positive correlation with the true cluster means is statistically impossible. Additionally, we investigate the performance of the approximate message passing (AMP) algorithm analyzed via its state evolution, which is conjectured to be optimal among polynomial algorithm for this task. We identify in particular the existence of a statistical-to-computational gap between the algorithm that requires a signal-to-noise ratio $\lambda_{\text{alg}} \ge k / \sqrt{\alpha}$ to perform better than random, and the information theoretic threshold at $\lambda_{\text{it}} \approx \sqrt{-k \rho \log{\rho}} / \sqrt{\alpha}$. Finally, we discuss the case of sub-extensive sparsity $\rho$ by comparing the performance of the AMP with other sparsity-enhancing algorithms, such as sparse-PCA and diagonal thresholding.
Luca Pesce, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
NeurIPS4
2022 Phase diagram of Stochastic Gradient Descent in high-dimensional two-layer neural networks
abstract
Despite the non-convex optimization landscape, over-parametrized shallow networks are able to achieve global convergence under gradient descent. The picture can be radically different for narrow networks, which tend to get stuck in badly-generalizing local minima. Here we investigate the cross-over between these two regimes in the high-dimensional setting, and in particular investigate the connection between the so-called mean-field/hydrodynamic regime and the seminal approach of Saad &amp; Solla. Focusing on the case of Gaussian data, we study the interplay between the learning rate, the time scale, and the number of hidden units in the high-dimensional dynamics of stochastic gradient descent (SGD). Our work builds on a deterministic description of SGD in high-dimensions from statistical physics, which we extend and for which we provide rigorous convergence rates.
Rodrigo Veiga 0001, Ludovic Stephan, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2021 Classifying high-dimensional Gaussian mixtures: Where kernel methods fail and neural networks succeed
abstract
A recent series of theoretical works showed that the dynamics of neural networks with a certain initialisation are well-captured by kernel methods. Concurrent empirical work demonstrated that kernel methods can come close to the performance of neural networks on some image classification tasks. These results raise the question of whether neural networks only learn successfully if kernels also learn successfully, despite being the more expressive function class. Here, we show that two-layer neural networks with *only a few neurons* achieve near-optimal performance on high-dimensional Gaussian mixture classification while lazy training approaches such as random features and kernel methods do not. Our analysis is based on the derivation of a set of ordinary differential equations that exactly track the dynamics of the network and thus allow to extract the asymptotic performance of the network as a function of regularisation or signal-to-noise ratio. We also show how over-parametrising the neural network leads to faster convergence, but does not improve its final performance.
Maria Refinetti, Sebastian Goldt, Florent Krzakala, Lenka Zdeborová
ICML4
2021 Generalization Error Rates in Kernel Regression: The Crossover from the Noiseless to Noisy Regime
abstract
In this manuscript we consider Kernel Ridge Regression (KRR) under the Gaussian design. Exponents for the decay of the excess generalization error of KRR have been reported in various works under the assumption of power-law decay of eigenvalues of the features co-variance. These decays were, however, provided for sizeably different setups, namely in the noiseless case with constant regularization and in the noisy optimally regularized case. Intermediary settings have been left substantially uncharted. In this work, we unify and extend this line of work, providing characterization of all regimes and excess error decay rates that can be observed in terms of the interplay of noise and regularization. In particular, we show the existence of a transition in the noisy setting between the noiseless exponents to its noisy values as the sample complexity is increased. Finally, we illustrate how this crossover can also be observed on real data sets.
Hugo Cui, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
NeurIPS4
2021 Learning curves of generic features maps for realistic datasets with a teacher-student model
abstract
Teacher-student models provide a framework in which the typical-case performance of high-dimensional supervised learning can be described in closed form. The assumptions of Gaussian i.i.d. input data underlying the canonical teacher-student model may, however, be perceived as too restrictive to capture the behaviour of realistic data sets. In this paper, we introduce a Gaussian covariate generalisation of the model where the teacher and student can act on different spaces, generated with fixed, but generic feature maps. While still solvable in a closed form, this generalization is able to capture the learning curves for a broad range of realistic data sets, thus redeeming the potential of the teacher-student framework. Our contribution is then two-fold: first, we prove a rigorous formula for the asymptotic training loss and generalisation error. Second, we present a number of situations where the learning curve of the model captures the one of a realistic data set learned with kernel regression and classification, with out-of-the-box feature maps such as random projections or scattering transforms, or with pre-learned ones - such as the features learned by training multi-layer neural networks. We discuss both the power and the limitations of the framework.
Bruno Loureiro, Cédric Gerbelot, Hugo Cui, Sebastian Goldt, Florent Krzakala, Marc Mézard, Lenka Zdeborová
NeurIPS7
2021 Learning Gaussian Mixtures with Generalized Linear Models: Precise Asymptotics in High-dimensions
abstract
Generalised linear models for multi-class classification problems are one of the fundamental building blocks of modern machine learning tasks. In this manuscript, we characterise the learning of a mixture of $K$ Gaussians with generic means and covariances via empirical risk minimisation (ERM) with any convex loss and regularisation. In particular, we prove exact asymptotics characterising the ERM estimator in high-dimensions, extending several previous results about Gaussian mixture classification in the literature. We exemplify our result in two tasks of interest in statistical learning: a) classification for a mixture with sparse means, where we study the efficiency of $\ell_1$ penalty with respect to $\ell_2$; b) max-margin multi-class classification, where we characterise the phase transition on the existence of the multi-class logistic maximum likelihood estimator for $K>2$. Finally, we discuss how our theory can be applied beyond the scope of synthetic data, showing that in different cases Gaussian mixtures capture closely the learning curve of classification tasks in real data sets.
Bruno Loureiro, Gabriele Sicuro, Cédric Gerbelot, Alessandro Pacco, Florent Krzakala, Lenka Zdeborová
NeurIPS6
2021 The Spiked Matrix Model With Generative Priors
abstract
We investigate the statistical and algorithmic properties of random neural-network generative priors in a simple inference problem: spiked-matrix estimation. We establish a rigorous expression for the performance of the Bayes-optimal estimator in the high-dimensional regime, and identify the statistical threshold for weak-recovery of the spike. Next, we derive a message-passing algorithm taking into account the latent structure of the spike, and show that its performance is asymptotically optimal for natural choices of the generative network architecture. The absence of an algorithmic gap in this case is in stark contrast to known results for sparse spikes, another popular prior for modelling low-dimensional signals, and for which no algorithm is known to achieve the optimal statistical threshold. Finally, we show that linearising our message passing algorithm yields a simple spectral method also achieving the optimal threshold for reconstruction. We conclude with an experiment on a real data set showing that our bespoke spectral method outperforms vanilla PCA.
Benjamin Aubin, Bruno Loureiro, Antoine Maillard, Florent Krzakala, Lenka Zdeborová
IEEE Trans. Inf. Theory5
2020 Generalisation error in learning with random features and the hidden manifold model
abstract
We study generalised linear regression and classification for a synthetically generated dataset encompassing different problems of interest, such as learning with random features, neural networks in the lazy training regime, and the hidden manifold model. We consider the high-dimensional regime and using the replica method from statistical physics, we provide a closed-form expression for the asymptotic generalisation performance in these problems, valid in both the under- and over-parametrised regimes and for a broad choice of generalised linear model loss functions. In particular, we show how to obtain analytically the so-called double descent behaviour for logistic regression with a peak at the interpolation threshold, we illustrate the superiority of orthogonal against random Gaussian projections in learning with random features, and discuss the role played by correlations in the data generated by the hidden manifold model. Beyond the interest in these particular problems, the theoretical formalism introduced in this manuscript provides a path to further extensions to more complex tasks.
Federica Gerace, Bruno Loureiro, Florent Krzakala, Marc Mézard, Lenka Zdeborová
ICML5
2020 The Role of Regularization in Classification of High-dimensional Noisy Gaussian Mixture
abstract
We consider a high-dimensional mixture of two Gaussians in the noisy regime where even an oracle knowing the centers of the clusters misclassifies a small but finite fraction of the points. We provide a rigorous analysis of the generalization error of regularized convex classifiers, including ridge, hinge and logistic regression, in the high-dimensional limit where the number $n$ of samples and their dimension $d$ go to infinity while their ratio is fixed to $\alpha=n/d$. We discuss surprising effects of the regularization that in some cases allows to reach the Bayes-optimal performances. We also illustrate the interpolation peak at low regularization, and analyze the role of the respective sizes of the two clusters.
Francesca Mignacco, Florent Krzakala, Yue M. Lu, Pierfrancesco Urbani, Lenka Zdeborová
ICML5
2020 Generalization error in high-dimensional perceptrons: Approaching Bayes error with convex optimization
abstract
We consider a commonly studied supervised classification of a synthetic dataset whose labels are generated by feeding a one-layer non-linear neural network with random iid inputs. We study the generalization performances of standard classifiers in the high-dimensional regime where $\alpha=\frac{n}{d}$ is kept finite in the limit of a high dimension $d$ and number of samples $n$. Our contribution is three-fold: First, we prove a formula for the generalization error achieved by $\ell_2$ regularized classifiers that minimize a convex loss. This formula was first obtained by the heuristic replica method of statistical physics. Secondly, focussing on commonly used loss functions and optimizing the $\ell_2$ regularization strength, we observe that while ridge regression performance is poor, logistic and hinge regression are surprisingly able to approach the Bayes-optimal generalization error extremely closely. As $\alpha \to \infty$ they lead to Bayes-optimal rates, a fact that does not follow from predictions of margin-based generalization error bounds. Third, we design an optimal loss and regularizer that provably leads to Bayes-optimal generalization error.
Benjamin Aubin, Florent Krzakala, Yue M. Lu, Lenka Zdeborová
NeurIPS4
2020 Phase retrieval in high dimensions: Statistical and computational phase transitions
abstract
We consider the phase retrieval problem of reconstructing a $n$-dimensional real or complex signal $\mathbf{X}^\star$ from $m$ (possibly noisy) observations $Y_\mu = | \sum_{i=1}^n \Phi_{\mu i} X^{\star}_i/\sqrt{n}|$, for a large class of correlated real and complex random sensing matrices $\mathbf{\Phi}$, in a high-dimensional setting where $m,n\to\infty$ while $\alpha = m/n=\Theta(1)$. First, we derive sharp asymptotics for the lowest possible estimation error achievable statistically and we unveil the existence of sharp phase transitions for the weak- and full-recovery thresholds as a function of the singular values of the matrix $\mathbf{\Phi}$. This is achieved by providing a rigorous proof of a result first obtained by the replica method from statistical mechanics. In particular, the information-theoretic transition to perfect recovery for full-rank matrices appears at $\alpha=1$ (real case) and $\alpha=2$ (complex case). Secondly, we analyze the performance of the best-known polynomial time algorithm for this problem --- approximate message-passing--- establishing the existence of statistical-to-algorithmic gap depending, again, on the spectral properties of $\mathbf{\Phi}$. Our work provides an extensive classification of the statistical and algorithmic thresholds in high-dimensional phase retrieval for a broad class of random matrices.
Antoine Maillard, Bruno Loureiro, Florent Krzakala, Lenka Zdeborová
NeurIPS4
2020 Complex Dynamics in Simple Neural Networks: Understanding Gradient Flow in Phase Retrieval
abstract
Despite the widespread use of gradient-based algorithms for optimising high-dimensional non-convex functions, understanding their ability of finding good minima instead of being trapped in spurious ones remains to a large extent an open problem. Here we focus on gradient flow dynamics for phase retrieval from random measurements. When the ratio of the number of measurements over the input dimension is small the dynamics remains trapped in spurious minima with large basins of attraction. We find analytically that above a critical ratio those critical points become unstable developing a negative direction toward the signal. By numerical experiments we show that in this regime the gradient flow algorithm is not trapped; it drifts away from the spurious critical points along the unstable direction and succeeds in finding the global minimum. Using tools from statistical physics we characterise this phenomenon, which is related to a BBP-type transition in the Hessian of the spurious minima.
Stefano Sarao Mannelli, Giulio Biroli, Chiara Cammarota, Florent Krzakala, Pierfrancesco Urbani, Lenka Zdeborová
NeurIPS6
2020 Optimization and Generalization of Shallow Neural Networks with Quadratic Activation Functions
abstract
We study the dynamics of optimization and the generalization properties of one-hidden layer neural networks with quadratic activation function in the overparametrized regime where the layer width m is larger than the input dimension d. We consider a teacher-student scenario where the teacher has the same structure as the student with a hidden layer of smaller width m*<=m. We describe how the empirical loss landscape is affected by the number n of data samples and the width m* of the teacher network. In particular we determine how the probability that there be no spurious minima on the empirical loss depends on n, d, and m*, thereby establishing conditions under which the neural network can in principle recover the teacher. We also show that under the same conditions gradient descent dynamics on the empirical loss converges and leads to small generalization error, i.e. it enables recovery in practice. Finally we characterize the time-convergence rate of gradient descent in the limit of a large number of samples. These results are confirmed by numerical experiments.
Stefano Sarao Mannelli, Eric Vanden-Eijnden, Lenka Zdeborová
NeurIPS3
2020 Dynamical mean-field theory for stochastic gradient descent in Gaussian mixture classification
abstract
We analyze in a closed form the learning dynamics of stochastic gradient descent (SGD) for a single layer neural network classifying a high-dimensional Gaussian mixture where each cluster is assigned one of two labels. This problem provides a prototype of a non-convex loss landscape with interpolating regimes and a large generalization gap. We define a particular stochastic process for which SGD can be extended to a continuous-time limit that we call stochastic gradient flow. In the full-batch limit we recover the standard gradient flow. We apply dynamical mean-field theory from statistical physics to track the dynamics of the algorithm in the high-dimensional limit via a self-consistent stochastic process. We explore the performance of the algorithm as a function of control parameters shedding light on how it navigates the loss landscape.
Francesca Mignacco, Florent Krzakala, Pierfrancesco Urbani, Lenka Zdeborová
NeurIPS4
2019 Passed & Spurious: Descent Algorithms and Local Minima in Spiked Matrix-Tensor Models
abstract
In this work we analyse quantitatively the interplay between the loss landscape and performance of descent algorithms in a prototypical inference problem, the spiked matrix-tensor model. We study a loss function that is the negative log-likelihood of the model. We analyse the number of local minima at a fixed distance from the signal/spike with the Kac-Rice formula, and locate trivialization of the landscape at large signal-to-noise ratios. We evaluate analytically the performance of a gradient flow algorithm using integro-differential PDEs as developed in physics of disordered systems for the Langevin dynamics. We analyze the performance of an approximate message passing algorithm estimating the maximum likelihood configuration via its state evolution. We conclude by comparing the above results: while we observe a drastic slow down of the gradient flow dynamics even in the region where the landscape is trivial, both the analyzed algorithms are shown to perform well even in the part of the region of parameters where spurious local minima are present.
Stefano Sarao Mannelli, Florent Krzakala, Pierfrancesco Urbani, Lenka Zdeborová
ICML4
2019 The spiked matrix model with generative priors
abstract
Using a low-dimensional parametrization of signals is a generic and powerful way to enhance performance in signal processing and statistical inference. A very popular and widely explored type of dimensionality reduction is sparsity; another type is generative modelling of signal distributions. Generative models based on neural networks, such as GANs or variational auto-encoders, are particularly performant and are gaining on applicability. In this paper we study spiked matrix models, where a low-rank matrix is observed through a noisy channel. This problem with sparse structure of the spikes has attracted broad attention in the past literature. Here, we replace the sparsity assumption by generative modelling, and investigate the consequences on statistical and algorithmic properties. We analyze the Bayes-optimal performance under specific generative models for the spike. In contrast with the sparsity assumption, we do not observe regions of parameters where statistical performance is superior to the best known algorithmic performance. We show that in the analyzed cases the approximate message passing algorithm is able to reach optimal performance. We also design enhanced spectral algorithms and analyze their performance and thresholds using random matrix theory, showing their superiority to the classical principal component analysis. We complement our theoretical results by illustrating the performance of the spectral algorithms when the spikes come from real datasets.
Benjamin Aubin, Bruno Loureiro, Antoine Maillard, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2019 Dynamics of stochastic gradient descent for two-layer neural networks in the teacher-student setup
abstract
Deep neural networks achieve stellar generalisation even when they have enough parameters to easily fit all their training data. We study this phenomenon by analysing the dynamics and the performance of over-parameterised two-layer neural networks in the teacher-student setup, where one network, the student, is trained on data generated by another network, called the teacher. We show how the dynamics of stochastic gradient descent (SGD) is captured by a set of differential equations and prove that this description is asymptotically exact in the limit of large inputs. Using this framework, we calculate the final generalisation error of student networks that have more parameters than their teachers. We find that the final generalisation error of the student increases with network size when training only the first layer, but stays constant or even decreases with size when training both layers. We show that these different behaviours have their root in the different solutions SGD finds for different activation functions. Our results indicate that achieving good generalisation in neural networks goes beyond the properties of SGD alone and depends on the interplay of at least the algorithm, the model architecture, and the data set.
Sebastian Goldt, Madhu Advani, Andrew M. Saxe, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2019 Who is Afraid of Big Bad Minima? Analysis of gradient-flow in spiked matrix-tensor models
abstract
Gradient-based algorithms are effective for many machine learning tasks, but despite ample recent effort and some progress, it often remains unclear why they work in practice in optimising high-dimensional non-convex functions and why they find good minima instead of being trapped in spurious ones.Here we present a quantitative theory explaining this behaviour in a spiked matrix-tensor model.Our framework is based on the Kac-Rice analysis of stationary points and a closed-form analysis of gradient-flow originating from statistical physics. We show that there is a well defined region of parameters where the gradient-flow algorithm finds a good global minimum despite the presence of exponentially many spurious local minima. We show that this is achieved by surfing on saddles that have strong negative direction towards the global minima, a phenomenon that is connected to a BBP-type threshold in the Hessian describing the critical points of the landscapes.
Stefano Sarao Mannelli, Giulio Biroli, Chiara Cammarota, Florent Krzakala, Lenka Zdeborová
NeurIPS5
2019 Decoding From Pooled Data: Phase Transitions of Message Passing
abstract
We consider the problem of decoding a discrete signal of categorical variables from the observation of several histograms of pooled subsets of it. We present an approximate message passing (AMP) algorithm for recovering the signal in the random dense setting where each observed histogram involves a random subset of entries of size proportional to n. We characterize the performance of the algorithm in the asymptotic regime where the number of observations m tends infinity proportionally to n by deriving the corresponding state evolution (SE) equations and studying their dynamics. We initiate the analysis of the multi-dimensional SE dynamics by proving their convergence to a fixed point, along with some further properties of the iterates. The analysis reveals sharp phase transition phenomena where the behavior of AMP changes from exact recovery to weak correlation with the signal, as m/n crosses a threshold. We derive formulae for the threshold in some special cases and show that they accurately match experimental behavior.
Ahmed El Alaoui, Aaditya Ramdas, Florent Krzakala, Lenka Zdeborová, Michael I. Jordan
IEEE Trans. Inf. Theory4
2018 Optimal Errors and Phase Transitions in High-Dimensional Generalized Linear Models
abstract
Generalized linear models (GLMs) arise in high-dimensional machine learning, statistics, communications and signal processing. % In this paper we analyze GLMs when the data matrix is random, as relevant in problems such as compressed sensing, error-correcting codes or benchmarks models in neural networks. % We evaluate the mutual information (or “free entropy”) from which we deduce the Bayes-optimal inference and generalization errors. Our analysis applies to the high-dimensional limit where both the number of samples and dimensions are large and their ratio is fixed. % Non-rigorous predictions for the optimal inference and generalization errors existed for special cases of GLMs, e.g. for the perceptron in the field of statistical physics based on the so-called replica method. Our present paper rigorously establishes those decades old conjectures and brings forward their algorithmic interpretation in terms of performance of the generalized approximate message-passing algorithm. % Furthermore, we tightly characterize, for many learning problems, regions of parameters for which this algorithm achieves the optimal performance, and locate the associated sharp phase transitions separating learnable and non-learnable regions.
Jean Barbier, Florent Krzakala, Nicolas Macris, Léo Miolane, Lenka Zdeborová
COLT5
2018 The committee machine: Computational to statistical gaps in learning a two-layers neural network
abstract
Heuristic tools from statistical physics have been used in the past to compute the optimal learning and generalization errors in the teacher-student scenario in multi- layer neural networks. In this contribution, we provide a rigorous justification of these approaches for a two-layers neural network model called the committee machine. We also introduce a version of the approximate message passing (AMP) algorithm for the committee machine that allows to perform optimal learning in polynomial time for a large set of parameters. We find that there are regimes in which a low generalization error is information-theoretically achievable while the AMP algorithm fails to deliver it; strongly suggesting that no efficient algorithm exists for those cases, and unveiling a large computational gap.
Benjamin Aubin, Antoine Maillard, Jean Barbier, Florent Krzakala, Nicolas Macris, Lenka Zdeborová
NeurIPS6
2018 Entropy and mutual information in models of deep neural networks
abstract
We examine a class of stochastic deep learning models with a tractable method to compute information-theoretic quantities. Our contributions are three-fold: (i) We show how entropies and mutual informations can be derived from heuristic statistical physics methods, under the assumption that weight matrices are independent and orthogonally-invariant. (ii) We extend particular cases in which this result is known to be rigorously exact by providing a proof for two-layers networks with Gaussian random weights, using the recently introduced adaptive interpolation method. (iii) We propose an experiment framework with generative models of synthetic datasets, on which we train deep neural networks with a weight constraint designed so that the assumption in (i) is verified during learning. We study the behavior of entropies and mutual information throughout learning and conclude that, in the proposed setting, the relationship between compression and generalization remains elusive.
Marylou Gabrié, Andre Manoel, Clément Luneau, Jean Barbier, Nicolas Macris, Florent Krzakala, Lenka Zdeborová
NeurIPS7
2017 Decoding from pooled data: Phase transitions of message passing
abstract
We consider the problem of decoding a discrete signal of categorical variables from the observation of several histograms of pooled subsets of it. We present an Approximate Message Passing (AMP) algorithm for recovering the signal in the random dense setting where each observed histogram involves a random subset of size proportional to n of entries. We characterize the performance of the algorithm in the asymptotic regime where the number of observations m tends to infinity proportionally to n, by deriving the corresponding State Evolution (SE) equations and studying their dynamics. We initiate the analysis of the multi-dimensional SE dynamics by proving their convergence to a fixed point, along with some further properties of the iterates. The analysis reveals sharp phase transition phenomena where the behavior of AMP changes from exact recovery to weak correlation with the signal as m/n crosses a threshold. We derive formulae for the threshold in some special cases and show that they accurately match experimental behavior.
Ahmed El Alaoui, Aaditya Ramdas, Florent Krzakala, Lenka Zdeborová, Michael I. Jordan
ISIT4
2017 Statistical and computational phase transitions in spiked tensor estimation
abstract
We consider tensor factorizations using a generative model and a Bayesian approach. We compute rigorously the mutual information, the Minimal Mean Square Error (MMSE), and unveil information-theoretic phase transitions. In addition, we study the performance of Approximate Message Passing (AMP) and show that it achieves the MMSE for a large set of parameters, and that factorization is algorithmically “easy” in a much wider region than previously believed. It exists, however, a “hard” region where AMP fails to reach the MMSE and we conjecture that no polynomial algorithm will improve on AMP.
Thibault Lesieur, Léo Miolane, Marc Lelarge, Florent Krzakala, Lenka Zdeborová
ISIT5
2017 Multi-layer generalized linear estimation
abstract
We consider the problem of reconstructing a signal from multi-layered (possibly) non-linear measurements. Using non-rigorous but standard methods from statistical physics we present the Multi-Layer Approximate Message Passing (ML-AMP) algorithm for computing marginal probabilities of the corresponding estimation problem and derive the associated state evolution equations to analyze its performance. We also give the expression of the asymptotic free energy and the minimal information-theoretically achievable reconstruction error. Finally, we present some applications of this measurement model for compressed sensing and perceptron learning with structured matrices/patterns, and for a simple model of estimation of latent variables in an auto-encoder.
Andre Manoel, Florent Krzakala, Marc Mézard, Lenka Zdeborová
ISIT4
2017 Information-theoretic thresholds from the cavity method
abstract
Vindicating a sophisticated but non-rigorous physics approach called the cavity method, we establish a formula for the mutual information in statistical inference problems induced by random graphs. This general result implies the conjecture on the information-theoretic threshold in the disassortative stochastic block model [Decelle et al.: Phys. Rev. E (2011)] and allows us to pinpoint the exact condensation phase transition in random constraint satisfaction problems such as random graph coloring, thereby proving a conjecture from [Krzakala et al.: PNAS (2007)]. As a further application we establish the formula for the mutual information in Low-Density Generator Matrix codes as conjectured in [Montanari: IEEE Transactions on Information Theory (2005)]. The proofs provide a conceptual underpinning of the replica symmetric variant of the cavity method, and we expect that the approach will find many future applications.
Amin Coja-Oghlan, Florent Krzakala, Will Perkins 0001, Lenka Zdeborová
STOC4
2016 Clustering from sparse pairwise measurements
abstract
We consider the problem of grouping items into clusters based on few random pairwise comparisons between the items. We introduce three closely related algorithms for this task: a belief propagation algorithm approximating the Bayes optimal solution, and two spectral algorithms based on the non-backtracking and Bethe Hessian operators. For the case of two symmetric clusters, we conjecture that these algorithms are asymptotically optimal in that they detect the clusters as soon as it is information theoretically possible to do so. We substantiate this claim for one of the spectral approaches we introduce.
Alaa Saade, Marc Lelarge, Florent Krzakala, Lenka Zdeborová
ISIT4
2016 Mutual information in rank-one matrix estimation
abstract
We consider the estimation of a n-dimensional vector x from the knowledge of noisy and possibility non-linear element-wise measurements of xxT, a very generic problem that contains, e.g. stochastic 2-block model, submatrix localization or the spike perturbation of random matrices. Using an interpolation method proposed by Guerra [1] and later refined by Korada and Macris [2], we prove that the Bethe mutual information (related to the Bethe free energy and conjectured to be exact by Lesieur et al. [3] on the basis of the non-rigorous cavity method) always yields an upper bound to the exact mutual information. A lower bound is also provided using a similar technique. For concreteness, we illustrate our findings on the sparse PCA problem, and observe that (a) our bounds match for a large region of parameters and (b) that there exists a phase transition in a region where the spectrum remains uninformative. While we present only the case of rank-one symmetric matrix estimation, our proof technique is readily extendable to low-rank symmetric matrix or low-rank symmetric tensor estimation.
Florent Krzakala, Jiaming Xu 0002, Lenka Zdeborová
ITW3
2016 Mutual information for symmetric rank-one matrix estimation: A proof of the replica formula
abstract
Factorizing low-rank matrices has many applications in machine learning and statistics. For probabilistic models in the Bayes optimal setting, a general expression for the mutual information has been proposed using heuristic statistical physics computations, and proven in few specific cases. Here, we show how to rigorously prove the conjectured formula for the symmetric rank-one case. This allows to express the minimal mean-square-error and to characterize the detectability phase transitions in a large set of estimation problems ranging from community detection to sparse PCA. We also show that for a large set of parameters, an iterative algorithm called approximate message-passing is Bayes optimal. There exists, however, a gap between what currently known polynomial algorithms can do and what is expected information theoretically. Additionally, the proof technique has an interest of its own and exploits three essential ingredients: the interpolation method introduced in statistical physics by Guerra, the analysis of the approximate message-passing algorithm and the theory of spatial coupling and threshold saturation in coding. Our approach is generic and applicable to other open problems in statistical estimation where heuristic statistical physics predictions are available.
Jean Barbier, Mohamad Dia, Nicolas Macris, Florent Krzakala, Thibault Lesieur, Lenka Zdeborová
NIPS6
2016 Phase Transitions and Sample Complexity in Bayes-Optimal Matrix Factorization
abstract
We analyze the matrix factorization problem. Given a noisy measurement of a product of two matrices, the problem is to estimate back the original matrices. It arises in many applications, such as dictionary learning, blind matrix calibration, sparse principal component analysis, blind source separation, low rank matrix completion, robust principal component analysis, or factor analysis. It is also important in machine learning: unsupervised representation learning can often be studied through matrix factorization. We use the tools of statistical mechanics-the cavity and replica methods-to analyze the achievability and computational tractability of the inference problems in the setting of Bayes-optimal inference, which amounts to assuming that the two matrices have random-independent elements generated from some known distribution, and this information is available to the inference algorithm. In this setting, we compute the minimal mean-squared-error achievable, in principle, in any computational time, and the error that can be achieved by an efficient approximate message passing algorithm. The computation is based on the asymptotic state-evolution analysis of the algorithm. The performance that our analysis predicts, both in terms of the achieved mean-squared-error and in terms of sample complexity, is extremely promising and motivating for a further development of the algorithm.
Yoshiyuki Kabashima, Florent Krzakala, Marc Mézard, Ayaka Sakata, Lenka Zdeborová
IEEE Trans. Inf. Theory5
2015 Adaptive damping and mean removal for the generalized approximate message passing algorithm
abstract
The generalized approximate message passing (GAMP) algorithm is an efficient method of MAP or approximate-MMSE estimation of x observed from a noisy version of the transform coefficients z = Ax. In fact, for large zero-mean i.i.d sub-Gaussian A, GAMP is characterized by a state evolution whose fixed points, when unique, are optimal. For generic A, however, GAMP may diverge. In this paper, we propose adaptive-damping and mean-removal strategies that aim to prevent divergence. Numerical results demonstrate significantly enhanced robustness to non-zero-mean, rank-deficient, column-correlated, and ill-conditioned A.
Jeremy P. Vila, Philip Schniter, Sundeep Rangan, Florent Krzakala, Lenka Zdeborová
ICASSP5
2015 Swept Approximate Message Passing for Sparse Estimation
abstract
Approximate Message Passing (AMP) has been shown to be a superior method for inference problems, such as the recovery of signals from sets of noisy, lower-dimensionality measurements, both in terms of reconstruction accuracy and in computational efficiency. However, AMP suffers from serious convergence issues in contexts that do not exactly match its assumptions. We propose a new approach to stabilizing AMP in these contexts by applying AMP updates to individual coefficients rather than in parallel. Our results show that this change to the AMP iteration can provide theoretically expected, but hitherto unobtainable, performance for problems on which the standard AMP iteration diverges. Additionally, we find that the computational costs of this swept coefficient update scheme is not unduly burdensome, allowing it to be applied efficiently to signals of large dimensionality.
Andre Manoel, Florent Krzakala, Eric W. Tramel, Lenka Zdeborová
ICML4
2015 Phase transitions in sparse PCA
abstract
We study optimal estimation for sparse principal component analysis when the number of non-zero elements is small but on the same order as the dimension of the data. We employ approximate message passing (AMP) algorithm and its state evolution to analyze what is the information theoretically minimal mean-squared error and the one achieved by AMP in the limit of large sizes. For a special case of rank one and large enough density of non-zeros Deshpande and Montanari [1] proved that AMP is asymptotically optimal. We show that both for low density and for large rank the problem undergoes a series of phase transitions suggesting existence of a region of parameters where estimation is information theoretically possible, but AMP (and presumably every other polynomial algorithm) fails. The analysis of the large rank limit is particularly instructive.
Thibault Lesieur, Florent Krzakala, Lenka Zdeborová
ISIT3
2015 Spectral detection in the censored block model
abstract
We consider the problem of partially recovering hidden binary variables from the observation of (few) censored edge weights, a problem with applications in community detection, correlation clustering and synchronization. We describe two spectral algorithms for this task based on the non-backtracking and the Bethe Hessian operators. These algorithms are shown to be asymptotically optimal for the partial recovery problem, in that they detect the hidden assignment as soon as it is information theoretically possible to do so.
Alaa Saade, Marc Lelarge, Florent Krzakala, Lenka Zdeborová
ISIT4
2015 Matrix Completion from Fewer Entries: Spectral Detectability and Rank Estimation
abstract
The completion of low rank matrices from few entries is a task with many practical applications. We consider here two aspects of this problem: detectability, i.e. the ability to estimate the rank $r$ reliably from the fewest possible random entries, and performance in achieving small reconstruction error. We propose a spectral algorithm for these two tasks called MaCBetH (for Matrix Completion with the Bethe Hessian). The rank is estimated as the number of negative eigenvalues of the Bethe Hessian matrix, and the corresponding eigenvectors are used as initial condition for the minimization of the discrepancy between the estimated matrix and the revealed entries. We analyze the performance in a random matrix setting using results from the statistical mechanics of the Hopfield neural network, and show in particular that MaCBetH efficiently detects the rank $r$ of a large $n\times m$ matrix from $C(r)r\sqrt{nm}$ entries, where $C(r)$ is a constant close to $1$. We also evaluate the corresponding root-mean-square error empirically and show that MaCBetH compares favorably to other existing approaches.
Alaa Saade, Florent Krzakala, Lenka Zdeborová
NIPS3
2014 On convergence of approximate message passing
abstract
Approximate message passing is an iterative algorithm for compressed sensing and related applications. A solid theory about the performance and convergence of the algorithm exists for measurement matrices having iid entries of zero mean. However, several authors have observed that for more general matrices the algorithm often encounters convergence problems. In this paper we identify the reason of the non-convergence for measurement matrices with iid entries and non-zero mean in the context of Bayes optimal inference. Finally we demonstrate numerically that when the iterative update is changed from parallel to sequential the convergence is restored.
Francesco Caltagirone, Lenka Zdeborová, Florent Krzakala
ISIT2
2014 Variational free energies for compressed sensing
abstract
We consider a variational free energy approach for compressed sensing. We first show that the naïve mean field approach performs remarkably well when coupled with a noise learning procedure. We also notice that it leads to the same equations as those used for iterative thresholding.We then discuss the Bethe free energy and how it corresponds to the fixed points of the approximate message passing algorithm. In both cases, we test numerically the direct optimization of the free energies as a converging sparse-estimation algorithm. We further derive the Bethe free energy in the context of generalized approximate message passing.
Florent Krzakala, Andre Manoel, Eric W. Tramel, Lenka Zdeborová
ISIT4
2014 Spectral Clustering of graphs with the Bethe Hessian
Alaa Saade, Florent Krzakala, Lenka Zdeborová
NIPS3
2013 Compressed sensing under matrix uncertainty: Optimum thresholds and robust approximate message passing
abstract
In compressed sensing one measures sparse signals directly in a compressed form via a linear transform and then reconstructs the original signal. However, it is often the case that the linear transform itself is known only approximately, a situation called matrix uncertainty, and that the measurement process is noisy. Here we present two contributions to this problem: first, we use the replica method to determine the mean-squared error of the Bayes-optimal reconstruction of sparse signals under matrix uncertainty. Second, we consider a robust variant of the approximate message passing algorithm and demonstrate numerically that in the limit of large systems, this algorithm matches the optimal performance in a large region of parameters.
Florent Krzakala, Marc Mézard, Lenka Zdeborová
ICASSP3
2013 Phase diagram and approximate message passing for blind calibration and dictionary learning
abstract
We consider dictionary learning and blind calibration for signals and matrices created from a random ensemble. We study the mean-squared error in the limit of large signal dimension using the replica method and unveil the appearance of phase transitions delimiting impossible, possible-but-hard and possible inference regions. We also introduce an approximate message passing algorithm that asymptotically matches the theoretical performance, and show through numerical tests that it performs very well, for the calibration problem, for tractable system sizes.
Florent Krzakala, Marc Mézard, Lenka Zdeborová
ISIT3
2013 Robust error correction for real-valued signals via message-passing decoding and spatial coupling
abstract
We revisit the error correction scheme of real-valued signals when the codeword is corrupted by gross errors on a fraction of entries and a small noise on all the entries. Combining the recent developments of approximate message passing and the spatially-coupled measurement matrix in compressed sensing we show that the error correction and its robustness towards noise can be enhanced considerably. We discuss the performance in the large signal limit using previous results on state evolution, as well as for finite size signals through numerical simulations. Even for relatively small sizes, the approach proposed here outperforms convex-relaxation-based decoders.
Jean Barbier, Florent Krzakala, Lenka Zdeborová
ITW3
2013 Blind Calibration in Compressed Sensing using Message Passing Algorithms
abstract
Compressed sensing (CS) is a concept that allows to acquire compressible signals with a small number of measurements. As such, it is very attractive for hardware implementations. Therefore, correct calibration of the hardware is a central issue. In this paper we study the so-called blind calibration, i.e. when the training signals that are available to perform the calibration are sparse but unknown. We extend the approximate message passing (AMP) algorithm used in CS to the case of blind calibration. In the calibration-AMP, both the gains on the sensors and the elements of the signals are treated as unknowns. Our algorithm is also applicable to settings in which the sensors distort the measurements in other ways than multiplication by a gain, unlike previously suggested blind calibration algorithms based on convex relaxations. We study numerically the phase diagram of the blind calibration problem, and show that even in cases where convex relaxation is possible, our algorithm requires a smaller number of measurements and/or signals in order to perform well.
Christophe Schülke, Francesco Caltagirone, Florent Krzakala, Lenka Zdeborová
NIPS4
2012 The condensation transition in random hypergraph 2-coloring
abstract
For many random constraint satisfaction problems such as random satisfiability or random graph or hypergraph coloring, the best current estimates of the threshold for the existence of solutions are based on the first and the second moment method. However, in most cases these techniques do not yield matching upper and lower bounds. Sophisticated but non-rigorous arguments from statistical mechanics have ascribed this discrepancy to the existence of a phase transition called condensation that occurs shortly before the actual threshold for the existence of solutions and that affects the combinatorial nature of the problem (Krzakala, Montanari, Ricci-Tersenghi, Semerjian, Zdeborová: PNAS 2007). In this paper we prove for the first time that a condensation transition exists in a natural random CSP, namely in random hypergraph 2-coloring. Perhaps surprisingly, we find that the second moment method applied to the number of 2-colorings breaks down strictly before the condensation transition. Our proof also yields slightly improved bounds on the threshold for random hypergraph 2-colorability.
Amin Coja-Oghlan, Lenka Zdeborová
SODA2
2011 Quiet Planting in the Locked Constraint Satisfaction Problems
abstract
We study the planted ensemble of locked constraint satisfaction problems. We describe the connection between the random and planted ensembles. The use of the cavity method is combined with arguments from reconstruction on trees and the first and second moment considerations. Our main result is the location of the hard region in the planted ensemble. In a part of that hard region, instances have with high probability a single satisfying assignment.
Lenka Zdeborová, Florent Krzakala
SIAM J. Discret. Math.1