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Enrico M. Malatesta

Publications and source records attributed to Enrico M. Malatesta.

At least 19 recordsLinked to original sources

On the robustness of noisy solutions in non-convex neural networks

Optimization in non-convex neural network models is strongly influenced by the geometry of the solution space: sparse, isolated, point-like clusters are typically algorithmically inaccessible, whereas wide and flat regions can be found efficiently despite being relatively rare. At zero temperature this picture has been formalized in binary perceptrons through the overlap gap property (OGP), which limits algorithmic access to configurations with zero training error above a critical constraint density $α_{\rm OGP}$. Here we extend this description to finite temperature, where a positive training error is allowed and statistically penalized. We first show that the frozen one-step replica-symmetry-breaking solution, dominating the zero temperature equilibrium measure, survives at any finite temperature. We furthermore derive a general criterion, based on the smoothness of the single-pattern Gibbs weight near the decision boundary, that determines when a finite-temperature relaxation of the loss removes freezing. We then extend the OGP construction to finite temperature and show that dense, algorithmically accessible regions of finite-energy configurations persist beyond $α_{\rm OGP}$, up to a threshold $α_{\rm OGP}(ε)$ that grows with the allowed training error $ε$. Finally, in the teacher-student setting, we show that these wide, finite-energy regions still retain good generalization. Using a finite energy message-passing algorithm, we demonstrate numerically that thermal noise enables effective generalization in the regime of constraint densities where both recovering the teacher and finding a zero temperature solution are computationally hard.

cond-mat.dis-nn↗

Collision Resistance of Single-Layer Neural Nets

We initiate the study of the algorithmic complexity of finding collisions in single-layer binary neural networks. Given a random matrix $\mathbf{A} \in \mathbb{R}^{m\times n}$, an input $\mathbf{x} \in \{-1,1\}^n$ is mapped to a binary output vector $φ(\mathbf{A}\mathbf{x})\in \{-1,1\}^m$, where $φ$ is an activation function with constant behavior on $[κ, \infty)$ for some threshold $κ\geq 0$. We identify the threshold scale $κ=Θ(1/\sqrtα)$, where $α=m/n$, as separating two complementary phenomena. When $κ\ll 1/\sqrtα$, we give a simple online algorithm that efficiently produces extensive collisions. When $κ\gg 1/\sqrtα$, for a natural \emph{randomized} non-periodic activation and suitable oscillation complexity, we prove that the extensive-collision space exhibits an overlap gap property (OGP), yielding an exponential lower bound against online algorithms. Ours is the first work to use the overlap gap property as a rigorous criterion for collision resistance. The key difference between collision finding and average-case search is that collision finding has a new ``worst-case'' aspect: the collision finder has full control over the choice of colliding pairs. Our lower bound is proved in the online model; extending such guarantees to broader classes of algorithms, including spectral, algebraic, lattice-based, or quantum methods, remains an open direction.

cs.CR↗

Generalization performance of narrow one-hidden layer networks in the teacher-student setting

Understanding the generalization properties of neural networks on simple input-output distributions is key to explaining their performance on real datasets. The classical teacher-student setting, where a network is trained on data generated by a teacher model, provides a canonical theoretical test bed. In this context, a complete theoretical characterization of fully connected one-hidden-layer networks with generic activation functions remains missing. In this work, we develop a general framework for such networks with large width, yet much smaller than the input dimension. Using methods from statistical physics, we derive closed-form expressions for the typical performance of both finite-temperature (Bayesian) and empirical risk minimization estimators in terms of a small number of order parameters. We uncover a transition to a specialization phase, where hidden neurons align with teacher features once the number of samples becomes sufficiently large and proportional to the number of network parameters. Our theory accurately predicts the generalization error of networks trained on regression and classification tasks using either noisy full-batch gradient descent (Langevin dynamics) or deterministic full-batch gradient descent.

cond-mat.dis-nn↗

Rare Trajectories in a Prototypical Mean-field Disordered Model: Insights into Landscape and Instantons

For disordered systems within the random first-order transition (RFOT) universality class, such as structural glasses and certain spin glasses, the role played by activated relaxation processes is rich to the point of perplexity. Over the last decades, various efforts have attempted to formalize and systematize such processes in terms of instantons similar to the nucleation droplets of first-order phase transitions. In particular, Kirkpatrick, Thirumalai, and Wolynes proposed in the late '80s an influential nucleation theory of relaxation in structural glasses. Already within this picture, however, the resulting structures are far from the compact objects expected from the classical droplet description. In addition, an altogether different type of single-particle hopping-like instantons has recently been isolated in molecular simulations. Landscape studies of mean-field spin glass models have further revealed that simple saddle crossing does not capture relaxation in these systems. We present here a landscape-agnostic study of rare dynamical events, which delineates the richness of instantons in these systems. Our work not only captures the structure of metastable states, but also identifies the point of irreversibility, beyond which activated relaxation processes become a fait accompli. An interpretation of the associated landscape features is articulated, thus charting a path toward a complete understanding of RFOT instantons.

cond-mat.dis-nn↗

Overlap Gap and Computational Thresholds in the Square Wave Perceptron

Square Wave Perceptrons (SWPs) form a class of neural network models with oscillating activation function that exhibit intriguing ``hardness'' properties in the high-dimensional limit at a fixed constraint density $α= O(1)$. In this work, we examine two key aspects of these models. The first is related to the so-called \emph{overlap-gap property}, that is a disconnectivity feature of the geometry of the solution space of combinatorial optimization problems proven to cause the failure of a large family of solvers, and conjectured to be a symptom of algorithmic hardness. We identify, both in the storage and in the teacher-student settings, the emergence of an overlap gap at a threshold $α_{\mathrm{OGP}}(δ)$, which can be made arbitrarily small by suitably increasing the frequency of oscillations $1/δ$ of the activation. This suggests that in this small-$δ$ regime, typical instances of the problem are hard to solve even for small values of $α$. Second, in the teacher-student setup, we show that the recovery threshold of the planted signal for message-passing algorithms can be made arbitrarily large by reducing $δ$. These properties make SWPs both a challenging benchmark for algorithms and an interesting candidate for cryptographic applications.

cond-mat.dis-nn↗

Are Neural Networks Collision Resistant?

When neural networks are trained to classify a dataset, one finds a set of weights from which the network produces a label for each data point. We study the algorithmic complexity of finding a collision in a single-layer neural net, where a collision is defined as two distinct sets of weights that assign the same labels to all data. For binary perceptrons with oscillating activation functions, we establish the emergence of an overlap gap property in the space of collisions. This is a topological property believed to be a barrier to the performance of efficient algorithms. The hardness is supported by numerical experiments using approximate message passing algorithms, for which the algorithms stop working well below the value predicted by our analysis. Neural networks provide a new category of candidate collision resistant functions, which for some parameter setting depart from constructions based on lattices. Beyond relevance to cryptography, our work uncovers new forms of computational hardness emerging in large neural networks which may be of independent interest.

cond-mat.dis-nn↗

Sampling the space of solutions of an artificial neural network

The weight space of an artificial neural network can be systematically explored using tools from statistical mechanics. We employ a combination of a hybrid Monte Carlo algorithm which performs long exploration steps, a ratchet-based algorithm to investigate connectivity paths, and coupled replica models simulations to study subdominant flat regions. Our analysis focuses on one hidden layer networks and spans a range of energy levels and constrained density regimes. Near the interpolation threshold, the low-energy manifold shows a spiky topology. In the overparameterized regime, however, the low-energy manifold becomes entirely flat, forming an extended complex structure that is easy to sample. These numerical results are supported by an analytical study of the training error landscape, and we show numerically that the qualitative features of the loss landscape are robust across different data structures. Our study aims to provide new methodological insights for developing scalable methods for large networks.

cond-mat.dis-nn↗

Exact full-RSB SAT/UNSAT transition in infinitely wide two-layer neural networks

We analyze the problem of storing random pattern-label associations using two classes of continuous non-convex weights models, namely the perceptron with negative margin and an infinite-width two-layer neural network with non-overlapping receptive fields and generic activation function. Using a full-RSB ansatz we compute the exact value of the SAT/UNSAT transition. Furthermore, in the case of the negative perceptron we show that the overlap distribution of typical states displays an overlap gap (a disconnected support) in certain regions of the phase diagram defined by the value of the margin and the density of patterns to be stored. This implies that some recent theorems that ensure convergence of Approximate Message Passing (AMP) based algorithms to capacity are not applicable. Finally, we show that Gradient Descent is not able to reach the maximal capacity, irrespectively of the presence of an overlap gap for typical states. This finding, similarly to what occurs in binary weight models, suggests that gradient-based algorithms are biased towards highly atypical states, whose inaccessibility determines the algorithmic threshold.

cond-mat.dis-nn↗

High-dimensional manifold of solutions in neural networks: insights from statistical physics

In these pedagogic notes I review the statistical mechanics approach to neural networks, focusing on the paradigmatic example of the perceptron architecture with binary an continuous weights, in the classification setting. I will review the Gardner's approach based on replica method and the derivation of the SAT/UNSAT transition in the storage setting. Then, I discuss some recent works that unveiled how the zero training error configurations are geometrically arranged, and how this arrangement changes as the size of the training set increases. I also illustrate how different regions of solution space can be explored analytically and how the landscape in the vicinity of a solution can be characterized. I give evidence how, in binary weight models, algorithmic hardness is a consequence of the disappearance of a clustered region of solutions that extends to very large distances. Finally, I demonstrate how the study of linear mode connectivity between solutions can give insights into the average shape of the solution manifold.

cond-mat.dis-nn↗

Impact of dendritic non-linearities on the computational capabilities of neurons

How neurons integrate the myriad synaptic inputs scattered across their dendrites is a fundamental question in neuroscience. Multiple neurophysiological experiments have shown that dendritic non-linearities can have a strong influence on synaptic input integration. These non-linearities have motivated mathematical descriptions of single neuron as a two-layer computational units, which have been shown to increase substantially the computational abilities of neurons, compared to linear dendritic integration. However, current analytical studies are restricted to neurons with unconstrained synaptic weights and unplausible dendritic non-linearities. Here, we introduce a two-layer model with sign-constrained synaptic weights and a biologically plausible form of dendritic non-linearity, and investigate its properties using both statistical physics methods and numerical simulations. We find that the dendritic non-linearity enhances both the number of possible learned input-output associations and the learning velocity. We characterize how capacity and learning speed depend on the implemented non-linearity and the levels of dendritic and somatic inhibition. We calculate analytically the distribution of synaptic weights in networks close to maximal capacity, and find that a large fraction of zero-weight ('silent' or 'potential') synapses naturally emerge in neurons with sign-constrained synapses, as a consequence of non-linear dendritic integration. Non-linearly induced sparsity comes with a second central advantage for neuronal information processing, i.e. input and synaptic noise robustness. We test our model on standard real-world benchmark datasets and observe empirically that the non-linearity provides an enhancement in generalization performance, showing that it enables to capture more complex input/output relations.

q-bio.NC↗

Random Features Hopfield Networks generalize retrieval to previously unseen examples

It has been recently shown that a learning transition happens when a Hopfield Network stores examples generated as superpositions of random features, where new attractors corresponding to such features appear in the model. In this work we reveal that the network also develops attractors corresponding to previously unseen examples generated with the same set of features. We explain this surprising behaviour in terms of spurious states of the learned features: we argue that, increasing the number of stored examples beyond the learning transition, the model also learns to mix the features to represent both stored and previously unseen examples. We support this claim with the computation of the phase diagram of the model.

cond-mat.dis-nn↗

Instantons in $ϕ^4$ Theories: Transseries, Virial Theorems and Numerical Aspects

We discuss numerical aspects of instantons in two- and three-dimensional $ϕ^4$ theories with an internal $O(N)$ symmetry group, the so-called $N$-vector model. Combining asymptotic transseries expansions for large argument with convergence acceleration techniques, we obtain high-precision values for certain integrals of the instanton that naturally occur in loop corrections around instanton configurations. Knowledge of these numerical properties are necessary in order to evaluate corrections to the large-order factorial growth of perturbation theory in $ϕ^4$ theories. The results contribute to the understanding of the mathematical structures underlying the instanton configurations.

hep-th↗

Properties of the geometry of solutions and capacity of multi-layer neural networks with Rectified Linear Units activations

Rectified Linear Units (ReLU) have become the main model for the neural units in current deep learning systems. This choice has been originally suggested as a way to compensate for the so called vanishing gradient problem which can undercut stochastic gradient descent (SGD) learning in networks composed of multiple layers. Here we provide analytical results on the effects of ReLUs on the capacity and on the geometrical landscape of the solution space in two-layer neural networks with either binary or real-valued weights. We study the problem of storing an extensive number of random patterns and find that, quite unexpectedly, the capacity of the network remains finite as the number of neurons in the hidden layer increases, at odds with the case of threshold units in which the capacity diverges. Possibly more important, a large deviation approach allows us to find that the geometrical landscape of the solution space has a peculiar structure: while the majority of solutions are close in distance but still isolated, there exist rare regions of solutions which are much more dense than the similar ones in the case of threshold units. These solutions are robust to perturbations of the weights and can tolerate large perturbations of the inputs. The analytical results are corroborated by numerical findings.

cond-mat.dis-nn↗

The twin peaks of learning neural networks

Recent works demonstrated the existence of a double-descent phenomenon for the generalization error of neural networks, where highly overparameterized models escape overfitting and achieve good test performance, at odds with the standard bias-variance trade-off described by statistical learning theory. In the present work, we explore a link between this phenomenon and the increase of complexity and sensitivity of the function represented by neural networks. In particular, we study the Boolean mean dimension (BMD), a metric developed in the context of Boolean function analysis. Focusing on a simple teacher-student setting for the random feature model, we derive a theoretical analysis based on the replica method that yields an interpretable expression for the BMD, in the high dimensional regime where the number of data points, the number of features, and the input size grow to infinity. We find that, as the degree of overparameterization of the network is increased, the BMD reaches an evident peak at the interpolation threshold, in correspondence with the generalization error peak, and then slowly approaches a low asymptotic value. The same phenomenology is then traced in numerical experiments with different model classes and training setups. Moreover, we find empirically that adversarially initialized models tend to show higher BMD values, and that models that are more robust to adversarial attacks exhibit a lower BMD.

cs.LG↗

The star-shaped space of solutions of the spherical negative perceptron

Empirical studies on the landscape of neural networks have shown that low-energy configurations are often found in complex connected structures, where zero-energy paths between pairs of distant solutions can be constructed. Here we consider the spherical negative perceptron, a prototypical non-convex neural network model framed as a continuous constraint satisfaction problem. We introduce a general analytical method for computing energy barriers in the simplex with vertex configurations sampled from the equilibrium. We find that in the over-parameterized regime the solution manifold displays simple connectivity properties. There exists a large geodesically convex component that is attractive for a wide range of optimization dynamics. Inside this region we identify a subset of atypical high-margin solutions that are geodesically connected with most other solutions, giving rise to a star-shaped geometry. We analytically characterize the organization of the connected space of solutions and show numerical evidence of a transition, at larger constraint densities, where the aforementioned simple geodesic connectivity breaks down.

cond-mat.dis-nn↗

Typical and atypical solutions in non-convex neural networks with discrete and continuous weights

We study the binary and continuous negative-margin perceptrons as simple non-convex neural network models learning random rules and associations. We analyze the geometry of the landscape of solutions in both models and find important similarities and differences. Both models exhibit subdominant minimizers which are extremely flat and wide. These minimizers coexist with a background of dominant solutions which are composed by an exponential number of algorithmically inaccessible small clusters for the binary case (the frozen 1-RSB phase) or a hierarchical structure of clusters of different sizes for the spherical case (the full RSB phase). In both cases, when a certain threshold in constraint density is crossed, the local entropy of the wide flat minima becomes non-monotonic, indicating a break-up of the space of robust solutions into disconnected components. This has a strong impact on the behavior of algorithms in binary models, which cannot access the remaining isolated clusters. For the spherical case the behaviour is different, since even beyond the disappearance of the wide flat minima the remaining solutions are shown to always be surrounded by a large number of other solutions at any distance, up to capacity. Indeed, we exhibit numerical evidence that algorithms seem to find solutions up to the SAT/UNSAT transition, that we compute here using an 1RSB approximation. For both models, the generalization performance as a learning device is shown to be greatly improved by the existence of wide flat minimizers even when trained in the highly underconstrained regime of very negative margins.

cond-mat.dis-nn↗

Learning through atypical "phase transitions" in overparameterized neural networks

Current deep neural networks are highly overparameterized (up to billions of connection weights) and nonlinear. Yet they can fit data almost perfectly through variants of gradient descent algorithms and achieve unexpected levels of prediction accuracy without overfitting. These are formidable results that defy predictions of statistical learning and pose conceptual challenges for non-convex optimization. In this paper, we use methods from statistical physics of disordered systems to analytically study the computational fallout of overparameterization in non-convex binary neural network models, trained on data generated from a structurally simpler but "hidden" network. As the number of connection weights increases, we follow the changes of the geometrical structure of different minima of the error loss function and relate them to learning and generalization performance. A first transition happens at the so-called interpolation point, when solutions begin to exist (perfect fitting becomes possible). This transition reflects the properties of typical solutions, which however are in sharp minima and hard to sample. After a gap, a second transition occurs, with the discontinuous appearance of a different kind of "atypical" structures: wide regions of the weight space that are particularly solution-dense and have good generalization properties. The two kinds of solutions coexist, with the typical ones being exponentially more numerous, but empirically we find that efficient algorithms sample the atypical, rare ones. This suggests that the atypical phase transition is the relevant one for learning. The results of numerical tests with realistic networks on observables suggested by the theory are consistent with this scenario.

cs.LG↗

Unveiling the structure of wide flat minima in neural networks

The success of deep learning has revealed the application potential of neural networks across the sciences and opened up fundamental theoretical problems. In particular, the fact that learning algorithms based on simple variants of gradient methods are able to find near-optimal minima of highly nonconvex loss functions is an unexpected feature of neural networks. Moreover, such algorithms are able to fit the data even in the presence of noise, and yet they have excellent predictive capabilities. Several empirical results have shown a reproducible correlation between the so-called flatness of the minima achieved by the algorithms and the generalization performance. At the same time, statistical physics results have shown that in nonconvex networks a multitude of narrow minima may coexist with a much smaller number of wide flat minima, which generalize well. Here we show that wide flat minima arise as complex extensive structures, from the coalescence of minima around "high-margin" (i.e., locally robust) configurations. Despite being exponentially rare compared to zero-margin ones, high-margin minima tend to concentrate in particular regions. These minima are in turn surrounded by other solutions of smaller and smaller margin, leading to dense regions of solutions over long distances. Our analysis also provides an alternative analytical method for estimating when flat minima appear and when algorithms begin to find solutions, as the number of model parameters varies.

cond-mat.dis-nn↗