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Riccardo Zecchina

Publications and source records attributed to Riccardo Zecchina.

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

Controlled Langevin Dynamics for Sampling of Feedforward Neural Networks Trained with Minibatches

Sampling the parameter space of artificial neural networks according to a Boltzmann distribution provides insight into the geometry of low-loss solutions and offers an alternative to conventional loss minimization for training. However, exact sampling methods such as hybrid Monte Carlo (hMC), while formally correct, become computationally prohibitive for realistic datasets because they require repeated evaluation of full-batch gradients. We introduce a pseudo-Langevin (pL) dynamics that enables efficient Boltzmann sampling of feed-forward neural networks trained with large datasets by using minibatches in a controlled manner. The method exploits the statistical properties of minibatch gradient noise and adjusts fictitious masses and friction coefficients to ensure that the induced stochastic process samples efficiently the desired equilibrium distribution. We validate numerically the approach by comparing its equilibrium statistics with those obtained from exact hMC sampling. Performance benchmarks demonstrate that, while hMC rapidly becomes inefficient as network size increases, the pL scheme maintains high computational diffusion and scales favorably to networks with over one million parameters. Finally, we show that sampling at intermediate temperatures yields optimal generalization performance, comparable to SGD, without requiring a validation set or early stopping procedure. These results establish controlled minibatch Langevin dynamics as a practical and scalable tool for exploring and exploiting the solution space of large neural networks.

cond-mat.dis-nn

Dynamical Learning in Deep Asymmetric Recurrent Neural Networks

We investigate recurrent neural networks with asymmetric interactions and demonstrate that the inclusion of self-couplings or sparse excitatory inter-module connections leads to the emergence of a densely connected manifold of dynamically accessible stable configurations. This representation manifold is exponentially large in system size and is reachable through simple local dynamics, despite constituting a subdominant subset of the global configuration space. We further show that learning can be implemented directly on this structure via a fully local, gradient-free mechanism that selectively stabilizes a single task-relevant network configuration. Unlike error-driven or contrastive learning schemes, this approach does not require explicit comparisons between network states obtained with and without output supervision. Instead, transient supervisory signals bias the dynamics toward the representation manifold, after which local plasticity consolidates the attained configuration, effectively shaping the latent representation space. Numerical evaluations on standard image classification benchmarks indicate performance comparable to that of multilayer perceptrons trained using backpropagation. More generally, these results suggest that the dynamical accessibility of fixed points and the stabilization of internal network dynamics constitute viable alternative principles for learning in recurrent systems, with conceptual links to statistical physics and potential implications for biologically motivated and neuromorphic computing architectures.

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

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

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

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

Neural networks: from the perceptron to deep nets

Artificial networks have been studied through the prism of statistical mechanics as disordered systems since the 80s, starting from the simple models of Hopfield's associative memory and the single-neuron perceptron classifier. Assuming data is generated by a teacher model, asymptotic generalisation predictions were originally derived using the replica method and the online learning dynamics has been described in the large system limit. In this chapter, we review the key original ideas of this literature along with their heritage in the ongoing quest to understand the efficiency of modern deep learning algorithms. One goal of current and future research is to characterize the bias of the learning algorithms toward well-generalising minima in a complex overparametrized loss landscapes with many solutions perfectly interpolating the training data. Works on perceptrons, two-layer committee machines and kernel-like learning machines shed light on these benefits of overparametrization. Another goal is to understand the advantage of depth while models now commonly feature tens or hundreds of layers. If replica computations apparently fall short in describing general deep neural networks learning, studies of simplified linear or untrained models, as well as the derivation of scaling laws provide the first elements of answers.

cond-mat.dis-nn

Deep Networks on Toroids: Removing Symmetries Reveals the Structure of Flat Regions in the Landscape Geometry

We systematize the approach to the investigation of deep neural network landscapes by basing it on the geometry of the space of implemented functions rather than the space of parameters. Grouping classifiers into equivalence classes, we develop a standardized parameterization in which all symmetries are removed, resulting in a toroidal topology. On this space, we explore the error landscape rather than the loss. This lets us derive a meaningful notion of the flatness of minimizers and of the geodesic paths connecting them. Using different optimization algorithms that sample minimizers with different flatness we study the mode connectivity and relative distances. Testing a variety of state-of-the-art architectures and benchmark datasets, we confirm the correlation between flatness and generalization performance; we further show that in function space flatter minima are closer to each other and that the barriers along the geodesics connecting them are small. We also find that minimizers found by variants of gradient descent can be connected by zero-error paths composed of two straight lines in parameter space, i.e. polygonal chains with a single bend. We observe similar qualitative results in neural networks with binary weights and activations, providing one of the first results concerning the connectivity in this setting. Our results hinge on symmetry removal, and are in remarkable agreement with the rich phenomenology described by some recent analytical studies performed on simple shallow models.

cs.LG

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

Deep learning via message passing algorithms based on belief propagation

Message-passing algorithms based on the Belief Propagation (BP) equations constitute a well-known distributed computational scheme. It is exact on tree-like graphical models and has also proven to be effective in many problems defined on graphs with loops (from inference to optimization, from signal processing to clustering). The BP-based scheme is fundamentally different from stochastic gradient descent (SGD), on which the current success of deep networks is based. In this paper, we present and adapt to mini-batch training on GPUs a family of BP-based message-passing algorithms with a reinforcement field that biases distributions towards locally entropic solutions. These algorithms are capable of training multi-layer neural networks with discrete weights and activations with performance comparable to SGD-inspired heuristics (BinaryNet) and are naturally well-adapted to continual learning. Furthermore, using these algorithms to estimate the marginals of the weights allows us to make approximate Bayesian predictions that have higher accuracy than point-wise solutions.

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

Quantum Approximate Optimization Algorithm applied to the binary perceptron

We apply digitized Quantum Annealing (QA) and Quantum Approximate Optimization Algorithm (QAOA) to a paradigmatic task of supervised learning in artificial neural networks: the optimization of synaptic weights for the binary perceptron. At variance with the usual QAOA applications to MaxCut, or to quantum spin-chains ground state preparation, the classical Hamiltonian is characterized by highly non-local multi-spin interactions. Yet, we provide evidence for the existence of optimal smooth solutions for the QAOA parameters, which are transferable among typical instances of the same problem, and we prove numerically an enhanced performance of QAOA over traditional QA. We also investigate on the role of the QAOA optimization landscape geometry in this problem, showing that the detrimental effect of a gap-closing transition encountered in QA is also negatively affecting the performance of our implementation of QAOA.

quant-ph

Native state of natural proteins optimises local entropy

The differing ability of polypeptide conformations to act as the native state of proteins has long been rationalized in terms of differing kinetic accessibility or thermodynamic stability. Building on the successful applications of physical concepts and sampling algorithms recently introduced in the study of disordered systems, in particular artificial neural networks, we quantitatively explore how well a quantity known as the local entropy describes the native state of model proteins. In lattice models and all-atom representations of proteins, we are able to efficiently sample high local entropy states and to provide a proof of concept of enhanced stability and folding rate. Our methods are based on simple and general statistical--mechanics arguments, and thus we expect that they are of very general use.

q-bio.BM

Entropic gradient descent algorithms and wide flat minima

The properties of flat minima in the empirical risk landscape of neural networks have been debated for some time. Increasing evidence suggests they possess better generalization capabilities with respect to sharp ones. First, we discuss Gaussian mixture classification models and show analytically that there exist Bayes optimal pointwise estimators which correspond to minimizers belonging to wide flat regions. These estimators can be found by applying maximum flatness algorithms either directly on the classifier (which is norm independent) or on the differentiable loss function used in learning. Next, we extend the analysis to the deep learning scenario by extensive numerical validations. Using two algorithms, Entropy-SGD and Replicated-SGD, that explicitly include in the optimization objective a non-local flatness measure known as local entropy, we consistently improve the generalization error for common architectures (e.g. ResNet, EfficientNet). An easy to compute flatness measure shows a clear correlation with test accuracy.

cs.LG