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Source author record

Francesco Zamponi

Francesco Zamponi appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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cond-mat.dis-nncond-mat.stat-mechcond-mat.softquant-phComputational ComplexityBiomoleculescond-mat.othercond-mat.quant-gasphysics.soc-phq-fin.ECq-fin.GNQuantitative MethodsBiological Physicscond-mat.mtrl-sciMachine LearningNeurons and Cognitionnlin.CDphysics.comp-phphysics.opticsPopulations and Evolution

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Published work

62 published item(s)

preprint2026arXiv

Expanding functional protein sequence space using high entropy generative models

Boltzmann Machines trained on evolutionary sequence data have emerged as a powerful paradigm for the data-driven design of artificial proteins. However, the relationship between model architecture, specifically parameter density, and experimental performance remains poorly understood. Here, we investigate this relationship using the Chorismate Mutase enzyme family as a model system. We compare standard fully connected Boltzmann Machines for Direct Coupling Analysis (bmDCA) with sparse models generated via progressive edge activation (eaDCA) and edge decimation (edDCA). We identify a maximum-entropy model (meDCA) along the decimation trajectory that represents an optimal balance between constraint satisfaction and the flexibility of the probability distribution. We synthesized and tested artificial sequences from all models using an in vivo complementation assay, finding that all architectures, regardless of sparsity, generate functional enzymes with high success rates, even at significant divergence from natural sequences. Despite this functional equivalence, we demonstrate that the meDCA model samples a viable sequence space that is more than fifteen orders of magnitude larger than its low-entropy counterparts. Furthermore, comparative analyses reveal that high-entropy models systematically minimize overfitting and better capture the local neutral spaces surrounding natural proteins. These findings suggest that while various models satisfying coevolutionary statistics can generate functional sequences, high-entropy Boltzmann Machines provide a superior representation of the underlying evolutionary fitness landscape.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

Microscopic observation of two-level systems in a metallic glass model

The low-temperature quasi-universal behavior of amorphous solids has been attributed to the existence of spatially-localized tunneling defects found in the low-energy regions of the potential energy landscape. Computational models of glasses can be studied to elucidate the microscopic nature of these defects. Recent simulation work has demonstrated the means of generating stable glassy configurations for models that mimic metallic glasses using the swap Monte Carlo algorithm. Building on these studies, we present an extensive exploration of the glassy metabasins of the potential energy landscape of a variant of the most widely used model of metallic glasses. We carefully identify tunneling defects and reveal their depletion with increased glass stability. The density of tunneling defects near the experimental glass transition temperature appears to be in good agreement with experimental measurements.

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preprint2022arXiv

Creating bulk ultrastable glasses by random particle bonding

A recent breakthrough in glass science has been the synthesis of ultrastable glasses via physical vapor deposition techniques. These samples display enhanced thermodynamic, kinetic and mechanical stability, with important implications for fundamental science and technological applications. However, the vapor deposition technique is limited to atomic, polymer and organic glass-formers and is only able to produce thin film samples. Here, we propose a novel approach to generate ultrastable glassy configurations in the bulk, via random particle bonding, and using computer simulations we show that this method does indeed allow for the production of ultrastable glasses. Our technique is in principle applicable to any molecular or soft matter system, such as colloidal particles with tunable bonding interactions, thus opening the way to the design of a large class of ultrastable glasses.

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preprint2022arXiv

Equilibrium Fluctuations in Mean-field Disordered Models

Mean-field models of glasses that present a random first order transition exhibit highly non-trivial fluctuations. Building on previous studies that focused on the critical scaling regime, we here obtain a fully quantitative framework for all equilibrium conditions. By means of the replica method we evaluate Gaussian fluctuations of the overlaps around the thermodynamic limit, decomposing them in thermal fluctuations inside each state and heterogeneous fluctuations between different states. We first test and compare our analytical results with numerical simulation results for the p-spin spherical model and the random orthogonal model, and then analyze the random Lorentz gas. In all cases, a strong quantitative agreement is obtained. Our analysis thus provides a robust scheme for identifying the key finite-size (or finite-dimensional) corrections to the mean-field treatment of these paradigmatic glass models.

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preprint2022arXiv

Gradient descent dynamics and the jamming transition in infinite dimensions

Gradient descent dynamics in complex energy landscapes, i.e. featuring multiple minima, finds application in many different problems, from soft matter to machine learning. Here, we analyze one of the simplest examples, namely that of soft repulsive particles in the limit of infinite spatial dimension $d$. The gradient descent dynamics then displays a jamming transition: at low density, it reaches zero-energy states in which particles' overlaps are fully eliminated, while at high density the energy remains finite and overlaps persist. At the transition, the dynamics becomes critical. In the $d\to \infty$ limit, a set of self-consistent dynamical equations can be derived via mean field theory. We analyze these equations and we present some partial progress towards their solution. We also study the Random Lorentz Gas in a range of $d=2\ldots 22$, and obtain a robust estimate for the jamming transition in $d\to\infty$. The jamming transition is analogous to the capacity transition in supervised learning, and in the appendix we discuss this analogy in the case of a simple one-layer fully-connected perceptron.

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preprint2022arXiv

Local dynamical heterogeneity in glass formers

We study the local dynamical fluctuations in glass-forming models of particles embedded in $d$-dimensional space, in the mean-field limit of $d\to\infty$. Our analytical calculation reveals that single-particle observables, such as squared particle displacements, display divergent fluctuations around the dynamical (or mode-coupling) transition, due to the emergence of nontrivial correlations between displacements along different directions. This effect notably gives rise to a divergent non-Gaussian parameter, $α_2$. The $d\to\infty$ local dynamics therefore becomes quite rich upon approaching the glass transition. The finite-$d$ remnant of this phenomenon further provides a long sought-after, first-principle explanation for the growth of $α_2$ around the glass transition that is \emph{not based on multi-particle correlations}.

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preprint2022arXiv

Modeling sequence-space exploration and emergence of epistatic signals in protein evolution

During their evolution, proteins explore sequence space via an interplay between random mutations and phenotypic selection. Here we build upon recent progress in reconstructing data-driven fitness landscapes for families of homologous proteins, to propose stochastic models of experimental protein evolution. These models predict quantitatively important features of experimentally evolved sequence libraries, like fitness distributions and position-specific mutational spectra. They also allow us to efficiently simulate sequence libraries for a vast array of combinations of experimental parameters like sequence divergence, selection strength and library size. We showcase the potential of the approach in re-analyzing two recent experiments to determine protein structure from signals of epistasis emerging in experimental sequence libraries. To be detectable, these signals require sufficiently large and sufficiently diverged libraries. Our modeling framework offers a quantitative explanation for the variable success of recently published experiments. Furthermore, we can forecast the outcome of time- and resource-intensive evolution experiments, opening thereby a way to computationally optimize experimental protocols.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Supervised perceptron learning vs unsupervised Hebbian unlearning: Approaching optimal memory retrieval in Hopfield-like networks

The Hebbian unlearning algorithm, i.e. an unsupervised local procedure used to improve the retrieval properties in Hopfield-like neural networks, is numerically compared to a supervised algorithm to train a linear symmetric perceptron. We analyze the stability of the stored memories: basins of attraction obtained by the Hebbian unlearning technique are found to be comparable in size to those obtained in the symmetric perceptron, while the two algorithms are found to converge in the same region of Gardner's space of interactions, having followed similar learning paths. A geometric interpretation of Hebbian unlearning is proposed to explain its optimal performances. Because the Hopfield model is also a prototypical model of disordered magnetic system, it might be possible to translate our results to other models of interest for memory storage in materials.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Depletion of two-level systems in ultrastable computer-generated glasses

Amorphous solids exhibit quasi-universal low-temperature anomalies whose origin has been ascribed to localized tunneling defects. Using an advanced Monte Carlo procedure, we create {\it in silico} glasses spanning from hyperquenched to ultrastable glasses. Using a multidimensional path-finding protocol, we locate tunneling defects with energy splittings smaller than $k_{B}T_Q$, with $T_Q$ the temperature below which quantum effects are relevant ($T_Q \approx 1 \,$K in most experiments). We find that as the stability of a glass increases, its energy landscape as well as the manner in which it is probed tend to deplete the density of tunneling defects, as observed in recent experiments. We explore the real-space nature of tunneling defects, and find that they are mostly localized to a few atoms, but are occasionally dramatically delocalized.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Jamming with tunable roughness

We introduce a new model to study the effect of surface roughness on the jamming transition. By performing numerical simulations, we show that for a smooth surface, the jamming transition density and the contact number at the transition point both increase upon increasing asphericity, as for ellipsoids and spherocylinders. Conversely, for a rough surface, both quantities decrease, in quantitative agreement with the behavior of frictional particles. Furthermore, in the limit corresponding to the Coulomb friction law, the model satisfies a generalized isostaticity criterion proposed in previous studies. We introduce a counting argument that justifies this criterion and interprets it geometrically. Finally, we propose a simple theory to predict the contact number at finite friction from the knowledge of the force distribution in the infinite friction limit.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Numerical solution of the dynamical mean field theory of infinite-dimensional equilibrium liquids

We present a numerical solution of the dynamical mean field theory of infinite-dimensional equilibrium liquids established in [Phys. Rev. Lett. 116, 015902 (2016)]. For soft sphere interactions, we obtain the numerical solution by an iterative algorithm and a straightforward discretization of time. We also discuss the case of hard spheres, for which we first derive analytically the dynamical mean field theory as a non-trivial limit of the soft sphere one. We present numerical results for the memory function and the mean square displacement. Our results reproduce and extend kinetic theory in the dilute or short-time limit, while they also describe dynamical arrest towards the glass phase in the dense strongly-interacting regime.

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preprint2016arXiv

Growing timescales and lengthscales characterizing vibrations of amorphous solids

Low-temperature properties of crystalline solids can be understood using harmonic perturbations around a perfect lattice, as in Debye's theory. Low-temperature properties of amorphous solids, however, strongly depart from such descriptions, displaying enhanced transport, activated slow dynamics across energy barriers, excess vibrational modes with respect to Debye's theory (i.e., a Boson Peak), and complex irreversible responses to small mechanical deformations. These experimental observations indirectly suggest that the dynamics of amorphous solids becomes anomalous at low temperatures. Here, we present direct numerical evidence that vibrations change nature at a well-defined location deep inside the glass phase of a simple glass former. We provide a real-space description of this transition and of the rapidly growing time and length scales that accompany it. Our results provide the seed for a universal understanding of low-temperature glass anomalies within the theoretical framework of the recently discovered Gardner phase transition.

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preprint2016arXiv

Monetary Policy and Dark Corners in a stylized Agent-Based Model

We extend in a minimal way the stylized model introduced in in "Tipping Points in Macroeconomic Agent Based Models" [JEDC 50, 29-61 (2015)], with the aim of investigating the role and efficacy of monetary policy of a `Central Bank' that sets the interest rate such as to steer the economy towards a prescribed inflation and employment level. Our major finding is that provided its policy is not too aggressive (in a sense detailed in the paper) the Central Bank is successful in achieving its goals. However, the existence of different equilibrium states of the economy, separated by phase boundaries (or "dark corners"), can cause the monetary policy itself to trigger instabilities and be counter-productive. In other words, the Central Bank must navigate in a narrow window: too little is not enough, too much leads to instabilities and wildly oscillating economies. This conclusion strongly contrasts with the prediction of DSGE models.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Protocol-dependent shear modulus of amorphous solids

We investigate the linear elastic response of amorphous solids to a shear strain at zero temperature. We find that the response is characterized by at least two distinct shear moduli. The first one, $μ_{\rm ZFC}$, is associated with the linear response of a single energy minimum. The second, $μ_{\rm FC}$, is related to sampling, through plastic events, an ensemble of distinct energy minima. We provide examples of protocols that allow one to measure both shear moduli. In agreement with a theoretical prediction based on the exact solution in infinite spatial dimensions, the ratio $μ_{\rm FC}/μ_{\rm ZFC}$ is found to vanish proportionally to the square root of pressure at the jamming transition. Our results establish that amorphous solids are characterized by a rugged energy landscape, on which the infinite-dimensional solution can give useful insight.

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preprint2016arXiv

Quantitative approximation schemes for glasses

By means of a systematic expansion around the infinite-dimensional solution, we obtain an approximation scheme to compute properties of glasses in low dimensions. The resulting equations take as input the thermodynamic and structural properties of the equilibrium liquid, and from this they allow one to compute properties of the glass. They are therefore similar in spirit to the Mode-Coupling approximation scheme. Our scheme becomes exact, by construction, in dimension $d\to\infty$ and it can be improved systematically by adding more terms in the expansion.

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preprint2016arXiv

Solution of the dynamics of liquids in the large-dimensional limit

We obtain analytic expressions for the time correlation functions of a liquid of spherical particles, exact in the limit of high dimensions $d$. The derivation is long but straightforward: a dynamic virial expansion for which only the first two terms survive, followed by a change to generalized spherical coordinates in the dynamic variables leading to saddle-point evaluation of integrals for large $d$. The problem is thus mapped onto a one-dimensional diffusion in a perturbed harmonic potential with colored noise. At high density, an ergodicity-breaking glass transition is found. In this regime, our results agree with thermodynamics, consistently with the general Random First Order Transition scenario. The glass transition density is higher than the best known lower bound for hard sphere packings in large $d$. Because our calculation is, if not rigorous, elementary, an improvement in the bound for sphere packings in large dimensions is at hand.

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preprint2016arXiv

Statics and dynamics of infinite-dimensional liquids and glasses: a parallel, compact derivation

We provide a compact derivation of the static and dynamic equations for infinite-dimensional particle systems in the liquid and glass phases. The static derivation is based on the introduction of an "auxiliary" disorder and the use of the replica method. The dynamic derivation is based on the general analogy between replicas and the supersymmetric formulation of dynamics. We show that static and dynamic results are consistent, and follow the Random First Order Transition scenario of mean field disordered glassy systems.

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preprint2015arXiv

Numerical detection of the Gardner transition in a mean-field glass former

Recent theoretical advances predict the existence, deep into the glass phase, of a novel phase transition, the so-called Gardner transition. This transition is associated with the emergence of a complex free energy landscape composed of many marginally stable sub-basins within a glass metabasin. In this study, we explore several methods to detect numerically the Gardner transition in a simple structural glass former, the infinite-range Mari-Kurchan model. The transition point is robustly located from three independent approaches: (i) the divergence of the characteristic relaxation time, (ii) the divergence of the caging susceptibility, and (iii) the abnormal tail in the probability distribution function of cage order parameters. We show that the numerical results are fully consistent with the theoretical expectation. The methods we propose may also be generalized to more realistic numerical models as well as to experimental systems.

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preprint2015arXiv

Spontaneous instabilities and stick-slip motion in a generalized Hebraud-Lequeux model

We revisit the Hébraud-Lequeux (HL) model for the rheology of jammed materials and argue that a possibly important time scale is missing from HL's initial specification. We show that our generalization of the HL model undergoes interesting oscillating instabilities for a wide range of parameters, which lead to intermittent, stick-slip flows under constant shear rate. The instability we find is akin to the synchronization transition of coupled elements that arises in many different contexts (neurons, fireflies, financial bankruptcies, etc.). We hope that our scenario could shed light on the commonly observed intermittent, serrated flows of glassy materials under shear.

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preprint2015arXiv

Universal non-Debye scaling in the density of states of amorphous solids

At the jamming transition, amorphous packings are known to display anomalous vibrational modes with a density of states (DOS) that remains constant at low frequency. The scaling of the DOS at higher densities remains, however, unclear. One might expect to find simple Debye scaling, but recent results from effective medium theory and the exact solution of mean-field models both predict an anomalous, non-Debye scaling. Being mean-field solutions, however, these solutions are only strictly applicable to the limit of infinite spatial dimension, and it is unclear what value they have for finite-dimensional systems. Here, we study packings of soft spheres in dimensions 3 through 7 and find, far from jamming, a universal non-Debye scaling of the DOS that is consistent with the mean-field predictions. We also consider how the soft mode participation ratio converges to the mean-field prediction as dimension increases.

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preprint2015arXiv

Universal Spectrum of Normal Modes in Low-Temperature Glasses: an Exact Solution

We report an analytical study of the vibrational spectrum of the simplest model of jamming, the soft perceptron. We identify two distinct classes of soft modes. The first kind of modes are related to isostaticity and appear only in the close vicinity of the jamming transition. The second kind of modes instead are present everywhere in the glass phase and are related to the hierarchical structure of the potential energy landscape. Our results highlight the universality of the spectrum of normal modes in disordered systems, and open the way towards a detailed analytical understanding of the vibrational spectrum of low-temperature glasses.

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preprint2014arXiv

Endogenous crisis waves: a stochastic model with synchronized collective behavior

We propose a simple framework to understand commonly observed crisis waves in macroeconomic Agent Based models, that is also relevant to a variety of other physical or biological situations where synchronization occurs. We compute exactly the phase diagram of the model and the location of the synchronization transition in parameter space. Many modifications and extensions can be studied, confirming that the synchronization transition is extremely robust against various sources of noise or imperfections.

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preprint2014arXiv

Exact theory of dense amorphous hard spheres in high dimension. III. The full RSB solution

In the first part of this paper, we derive the general replica equations that describe infinite-dimensional hard spheres at any level of replica symmetry breaking (RSB) and in particular in the fullRSB scheme. We show that these equations are formally very similar to the ones that have been derived for spin glass models, thus showing that the analogy between spin glasses and structural glasses conjectured by Kirkpatrick, Thirumalai, and Wolynes is realized in a strong sense in the mean field limit. We also suggest how the computation could be generalized in an approximate way to finite dimensional hard spheres. In the second part of the paper, we discuss the solution of these equations and we derive from it a number of physical predictions. We show that, below the Gardner transition where the 1RSB solution becomes unstable, a fullRSB phase exists and we locate the boundary of the fullRSB phase. Most importantly, we show that the fullRSB solution predicts correctly that jammed packings are isostatic, and allows one to compute analytically the critical exponents associated with the jamming transition, which are missed by the 1RSB solution. We show that these predictions compare very well with numerical results.

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preprint2014arXiv

Following the evolution of glassy states under external perturbations: compression and shear-strain

We consider the adiabatic evolution of glassy states under external perturbations. Although the formalism we use is very general, we focus here on infinite-dimensional hard spheres where an exact analysis is possible. We consider perturbations of the boundary, i.e. compression or (volume preserving) shear-strain, and we compute the response of glassy states to such perturbations: pressure and shear-stress. We find that both quantities overshoot before the glass state becomes unstable at a spinodal point where it melts into a liquid (or yields). We also estimate the yield stress of the glass. Finally, we study the stability of the glass basins towards breaking into sub-basins, corresponding to a Gardner transition. We find that close to the dynamical transition, glasses undergo a Gardner transition after an infinitesimal perturbation.

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preprint2014arXiv

Fractal free energy landscapes in structural glasses

Glasses are amorphous solids whose constituent particles are caged by their neighbors and thus cannot flow. This sluggishness is often ascribed to the free energy landscape containing multiple minima (basins) separated by high barriers. Here we show, using theory and numerical simulation, that the landscape is much rougher than is classically assumed. Deep in the glass, it undergoes a "roughness transition" to fractal basins. This brings about isostaticity at jamming and marginality of glassy states near jamming. Critical exponents for the basin width, the weak force distribution, and the spatial spread of quasi-contacts at jamming can be analytically determined. Their value is found to be compatible with numerical observations. This advance therefore incorporates the jamming transition of granular materials into the framework of glass theory. Because temperature and pressure control which features of the landscape are experienced, glass mechanics and transport are expected to reflect the features of the topology we discuss here. Hitherto mysterious properties of low-temperature glasses could be explained by this approach.

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preprint2014arXiv

Hopping and the Stokes-Einstein relation breakdown in simple glass formers

One of the most actively debated issues in the study of the glass transition is whether a mean-field description is a reasonable starting point for understanding experimental glass formers. Although the mean-field theory of the glass transition -- like that of other statistical systems -- is exact when the spatial dimension $d\rightarrow\infty$, the evolution of systems properties with $d$ may not be smooth. Finite-dimensional effects could dramatically change what happens in physical dimensions, $d=2,3$. For standard phase transitions finite-dimensional effects are typically captured by renormalization group methods, but for glasses the corrections are much more subtle and only partially understood. Here, we investigate hopping between localized cages formed by neighboring particles in a model that allows to cleanly isolate that effect. By bringing together results from replica theory, cavity reconstruction, void percolation, and molecular dynamics, we obtain insights into how hopping induces a breakdown of the Stokes--Einstein relation and modifies the mean-field scenario in experimental systems. Although hopping is found to supersede the dynamical glass transition, it nonetheless leaves a sizable part of the critical regime untouched. By providing a constructive framework for identifying and quantifying the role of hopping, we thus take an important step towards describing dynamic facilitation in the framework of the mean-field theory of glasses.

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preprint2014arXiv

Mean field theory of spin glasses

These lecture notes focus on the mean field theory of spin glasses, with particular emphasis on the presence of a very large number of metastable states in these systems. This phenomenon, and some of its physical consequences, will be discussed in details for fully-connected models and for models defined on random lattices. This will be done using the replica and cavity methods. These notes have been prepared for a course of the PhD program in Statistical Mechanics at SISSA, Trieste and at the University of Rome "Sapienza". Part of the material is reprinted from other lecture notes, and when this is done a reference is obviously provided to the original.

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preprint2014arXiv

The shear modulus of glasses: results from the full replica symmetry breaking solution

We compute the shear modulus of amorphous hard and soft spheres, using the exact solution in infinite spatial dimensions that has been developed recently. We characterize the behavior of this observable in the whole phase diagram, and in particular around the glass and jamming transitions. Our results are consistent with other theoretical approaches, that are unified within this general picture, and they are also consistent with numerical and experimental results. Furthermore, we discuss some properties of the out-of-equilibrium dynamics after a deep quench close to the jamming transition, and we show that a combined measure of the shear modulus and of the mean square displacement allows one to probe experimentally the complex structure of phase space predicted by the full replica symmetry breaking solution.

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preprint2014arXiv

Tipping points in macroeconomic Agent-Based models

The aim of this work is to explore the possible types of phenomena that simple macroeconomic Agent-Based models (ABM) can reproduce. We propose a methodology, inspired by statistical physics, that characterizes a model through its 'phase diagram' in the space of parameters. Our first motivation is to understand the large macro-economic fluctuations observed in the 'Mark I' ABM. Our major finding is the generic existence of a phase transition between a 'good economy' where unemployment is low, and a 'bad economy' where unemployment is high. We introduce a simpler framework that allows us to show that this transition is robust against many modifications of the model, and is generically induced by an asymmetry between the rate of hiring and the rate of firing of the firms. The unemployment level remains small until a tipping point, beyond which the economy suddenly collapses. If the parameters are such that the system is close to this transition, any small fluctuation is amplified as the system jumps between the two equilibria. We have explored several natural extensions of the model. One is to introduce a bankruptcy threshold, limiting the leverage of firms. This leads to a rich phase diagram with, in particular, a region where acute endogenous crises occur, during which the unemployment rate shoots up before the economy can recover. We also introduce simple wage policies. This leads to inflation (in the 'good' phase) or deflation (in the 'bad' phase), but leaves the overall phase diagram of the model essentially unchanged. We have also started exploring the effect of simple monetary policies that attempt to contain rising unemployment and defang crises. We end the paper with general comments on the usefulness of ABMs to model macroeconomic phenomena, in particular in view of the time needed to reach a steady state that raises the issue of ergodicity in these models.

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preprint2013arXiv

A thermodynamic description of colloidal glasses

The phase behavior of hard-sphere particles interacting with a short-ranged potential is studied in the limit of infinite space dimensionality via the Franz-Parisi approach and the replica method of disordered systems. For an attractive square-well potential the phase diagram exhibits reentrancy of the liquid-glass transition, multiple glass states and glass-glass transition. For a repulsive square shoulder potential no such special features are observed. Our results show that the Franz-Parisi approach can be consistently extended to deal with higher-order glass singularities and that interparticle attraction is crucial for complex glassy behavior in large enough dimensions, at least for monodisperse systems.

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preprint2013arXiv

Dimensional dependence of the Stokes--Einstein relation and its violation

We generalize to higher spatial dimensions the Stokes--Einstein relation (SER) and the leading correction to diffusivity in periodic systems, and validate them using numerical simulations. Using these results, we investigate the evolution of the SER violation with dimension in simple hard sphere glass formers. The analysis suggests that the SER violation disappears around dimension d=8, above which SER is not violated. The critical exponent associated to the violation appears to evolve linearly in 8-d below d=8, as predicted by Biroli and Bouchaud [J. Phys.: Cond. Mat. 19, 205101 (2007)], but the linear coefficient is not consistent with their prediction. The SER violation evolution with d establishes a new benchmark for theory, and a complete description remains an open problem.

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preprint2013arXiv

Exact theory of dense amorphous hard spheres in high dimension. II. The high density regime and the Gardner transition

We consider the theory of the glass phase and jamming of hard spheres in the large space dimension limit. Building upon the exact expression for the free-energy functional obtained previously, we find that the Random First Order Transition (RFOT) scenario is realized here with two thermodynamic transitions: the usual Kauzmann point associated with entropy crisis, and a further transition at higher pressures in which a glassy structure of micro-states is developed within each amorphous state. This kind of glass-glass transition into a phase dominating the higher densities was described years ago by Elisabeth Gardner, and may well be a generic feature of RFOT. Micro states that are small excitations of an amorphous matrix -- separated by low entropic or energetic barriers -- thus emerge naturally, and modify the high pressure (or low temperature) limit of the thermodynamic functions.

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preprint2013arXiv

Jamming transition of randomly pinned systems

We consider a system of hard spheres close to jamming, where translation invariance is broken by pinning a randomly chosen set of particles. Using two different protocols, we generate two kinds of packings at the jamming point, isostatic and hyperstatic packings. In the case where the packings are isostatic, jamming transition is not affected by random pinning: the jamming density is only slightly reduced, a generalized isostaticity condition holds, the system is marginally rigid over the entire glass phase, and the typical structural signatures of jamming are unchanged. Besides, random pinning does not have effect on the vibrational modes of the amorphous system, at least on the time and length scale that we are able to probe. For packings that are hyperstatic at jamming, the microscopic properties of the system are strongly affected by the random pinning: the frozen degrees of freedom introduce an excess of constraints that drives the system far from the mechanical marginality conditions and stabilize the low frequency modes of the system, shifting them to higher frequencies. The distance from the isostatic point seems to be the only relevant parameter in the system in both cases. These two cases are in contrast with the behavior of the plane waves of a crystal: the whole spectrum in this case is shifted to higher frequencies as soon as some particles are pinned.

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preprint2013arXiv

Packing hard spheres with short-range attraction in infinite dimension: Phase structure and algorithmic implications

We study, via the replica method of disordered systems, the packing problem of hard-spheres with a square-well attractive potential when the space dimensionality, d, becomes infinitely large. The phase diagram of the system exhibits reentrancy of the liquid-glass transition line, two distinct glass states and a glass-to-glass transition, much similar to what has been previously obtained by Mode-Coupling Theory, numerical simulations and experiments. The presence of the phase reentrance implies that for a suitable choice of the intensity and attraction range, high-density sphere packings more compact than the one corresponding to pure hard-spheres can be constructed in polynomial time in the number of particles (at fixed, large d) for packing fractions smaller than 6.5 d 2^{-d}. Although our derivation is not a formal mathematical proof, we believe it meets the standards of rigor of theoretical physics, and at this level of rigor it provides a small improvement of the lower bound on the sphere packing problem.

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preprint2013arXiv

Quantitative field theory of the glass transition

We develop a full microscopic replica field theory of the dynamical transition in glasses. By studying the soft modes that appear at the dynamical temperature we obtain an effective theory for the critical fluctuations. This analysis leads to several results: we give expressions for the mean field critical exponents, and we study analytically the critical behavior of a set of four-points correlation functions from which we can extract the dynamical correlation length. Finally, we can obtain a Ginzburg criterion that states the range of validity of our analysis. We compute all these quantities within the Hypernetted Chain Approximation (HNC) for the Gibbs free energy and we find results that are consistent with numerical simulations.

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preprint2013arXiv

Static replica approach to critical correlations in glassy systems

We discuss the slow relaxation phenomenon in glassy systems by means of replicas by constructing a static field theory approach to the problem. At the mean field level we study how criticality in the four point correlation functions arises because of the presence of soft modes and we derive an effective replica field theory for these critical fluctuations. By using this at the Gaussian level we obtain many physical quantities: the correlation length, the exponent parameter that controls the Mode-Coupling dynamical exponents for the two-point correlation functions, and the prefactor of the critical part of the four point correlation functions. Moreover we perform a one-loop computation in order to identify the region in which the mean field Gaussian approximation is valid. The result is a Ginzburg criterion for the glass transition. We define and compute in this way a proper Ginzburg number. Finally, we present numerical values of all these quantities obtained from the Hypernetted Chain approximation for the replicated liquid theory.

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preprint2013arXiv

Systematic expansion in the order parameter for replica theory of the dynamical glass transition

It has been shown recently that predictions from Mode-Coupling Theory for the glass transition of hard-spheres become increasingly bad when dimensionality increases, whereas replica theory predicts a correct scaling. Nevertheless if one focuses on the regime around the dynamical transition in three dimensions, Mode-Coupling results are far more convincing than replica theory predictions. It seems thus necessary to reconcile the two theoretic approaches in order to obtain a theory that interpolates between low-dimensional, Mode-Coupling results, and "mean-field" results from replica theory. Even though quantitative results for the dynamical transition issued from replica theory are not accurate in low dimensions, two different approximation schemes --small cage expansion and replicated Hyper-Netted-Chain (RHNC)-- provide the correct qualitative picture for the transition, namely a discontinuous jump of a static order parameter from zero to a finite value. The purpose of this work is to develop a systematic expansion around the RHNC result in powers of the static order parameter, and to calculate the first correction in this expansion. Interestingly, this correction involves the static three-body correlations of the liquid. More importantly, we separately demonstrate that higher order terms in the expansion are quantitatively relevant at the transition, and that the usual mode-coupling kernel, involving two-body direct correlation functions of the liquid, cannot be recovered from static computations.

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preprint2013arXiv

The effect of quantum fluctuations on the coloring of random graphs

We present a study of the coloring problem (antiferromagnetic Potts model) of random regular graphs, submitted to quantum fluctuations induced by a transverse field, using the quantum cavity method and quantum Monte-Carlo simulations. We determine the order of the quantum phase transition encountered at low temperature as a function of the transverse field and discuss the structure of the quantum spin glass phase. In particular, we conclude that the quantum adiabatic algorithm would fail to solve efficiently typical instances of these problems because of avoided level crossings within the quantum spin glass phase, caused by a competition between energetic and entropic effects.

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preprint2012arXiv

A tentative replica theory of glassy Helium 4

We develop a quantum replica method for interacting particle systems and use it to estimate the location of the glass transition line in Helium 4. Although we do not fully succeed in taking into account all quantum effects, we make a thorough semiclassical analysis. We confirm previous suggestions that quantum fluctuations promote the formation of the glass and give a quantitative estimate of this effect at high density. Finally, we discuss the difficulties that are met when one tries to extend the calculation to the region of low densities and low temperatures, where quantum effects are strong and the semiclassical expansion breaks down.

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preprint2012arXiv

Dimensional Study of the Caging Order Parameter at the Glass Transition

The glass problem is notoriously hard and controversial. Even at the mean-field level, little is agreed about how a fluid turns sluggish while exhibiting but unremarkable structural changes. It is clear, however, that the process involves self-caging, which provides an order parameter for the transition. It is also broadly assumed that this cage should have a Gaussian shape in the mean-field limit. Here we show that this ansatz does not hold. By performing simulations as a function of spatial dimension, we find the cage to keep a non-trivial form. Quantitative mean-field descriptions of the glass transition, such as mode-coupling theory, density functional theory, and replica theory, all miss this crucial element. Although the mean-field random first-order transition scenario of the glass transition is here qualitatively supported and non-mean-field corrections are found to remain small on decreasing dimension, reconsideration of its implementation is needed for it to result in a coherent description of experimental observations.

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preprint2012arXiv

Exact theory of dense amorphous hard spheres in high dimension. I. The free energy

We consider the theory of the glass transition and jamming of hard spheres in the large space dimension limit. Previous investigations were based on the assumption that the probability distribution within a "cage" is Gaussian, which is not fully consistent with numerical results. Here we perform a replica calculation without making any assumption on the cage shape. We show that thermodynamic functions turn out to be exact within the Gaussian ansatz -- provided one allows for arbitrary replica symmetry breaking --- and indeed agree well with numerical results. The actual structure function (the so-called non-ergodic parameter) is not Gaussian, an apparent paradox which we discuss. In this paper we focus on the free energy, future papers will present the results for the structure functions and a detailed comparison with numerical results.

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preprint2012arXiv

On the relation between kinetically constrained models of glass dynamics and the random first-order transition theory

In this paper we revisit and extend the mapping between two apparently different classes of models. The first class contains the prototypical models described --at the mean-field level-- by the Random First Order Transition (RFOT) theory of the glass transition, called either "random XORSAT problem" (in the information theory community) or "diluted $p$-spin model" (in the spin glass community), undergoing a single-spin flip Glauber dynamics. The models in the second class are Kinetically Constrained Models (KCM): their Hamiltonian is that of independent spins in a constant magnetic field, hence their thermodynamics is completely trivial, but the dynamics is such that only groups of spin can flip together, thus implementing a kinetic constraint that induces a non-trivial dynamical behavior. A mapping between some representatives of these two classes has been known for long. Here we formally prove this mapping at the level of the master equation, and we apply it to the particular case of Bethe lattice models. This allows us to show that a RFOT model can be mapped exactly into a KCM. However, the natural order parameter for the RFOT model, namely the spin overlap, is mapped into a very complicated non-local function in the KCM. Therefore, if one were to study the KCM without knowing of the mapping onto the RFOT model, one would guess that its physics is quite different from the RFOT one. Our results instead suggest that these two apparently different descriptions of the glass transition are, at least in some case, closely related.

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preprint2012arXiv

The performance of the quantum adiabatic algorithm on random instances of two optimization problems on regular hypergraphs

In this paper we study the performance of the quantum adiabatic algorithm on random instances of two combinatorial optimization problems, 3-regular 3-XORSAT and 3-regular Max-Cut. The cost functions associated with these two clause-based optimization problems are similar as they are both defined on 3-regular hypergraphs. For 3-regular 3-XORSAT the clauses contain three variables and for 3-regular Max-Cut the clauses contain two variables. The quantum adiabatic algorithms we study for these two problems use interpolating Hamiltonians which are stoquastic and therefore amenable to sign-problem free quantum Monte Carlo and quantum cavity methods. Using these techniques we find that the quantum adiabatic algorithm fails to solve either of these problems efficiently, although for different reasons.

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preprint2012arXiv

The Quantum Adiabatic Algorithm applied to random optimization problems: the quantum spin glass perspective

Among various algorithms designed to exploit the specific properties of quantum computers with respect to classical ones, the quantum adiabatic algorithm is a versatile proposition to find the minimal value of an arbitrary cost function (ground state energy). Random optimization problems provide a natural testbed to compare its efficiency with that of classical algorithms. These problems correspond to mean field spin glasses that have been extensively studied in the classical case. This paper reviews recent analytical works that extended these studies to incorporate the effect of quantum fluctuations, and presents also some original results in this direction.

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preprint2012arXiv

Theory of simple glasses

This manuscript has been prepared as a thesis to obtain the French "Habilitation à diriger des recherches (HDR)" which allows one to supervise PhD students. I review here my work on the glass and jamming transition. I tried to explain this subject in a concise and self-contained way, highlighting what I consider the main motivations for its study and trying to put my work in a broader perspective. Basically I tried to tell this story in the same way as I would tell it to a student who contacted me to start a PhD thesis on these topics.

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preprint2012arXiv

Transition path sampling algorithm for discrete many-body systems

We propose a new Monte Carlo method for efficiently sampling trajectories with fixed initial and final conditions in a system with discrete degrees of freedom. The method can be applied to any stochastic process with local interactions, including systems that are out of equilibrium. We combine the proposed path-sampling algorithm with thermodynamic integration to calculate transition rates. We demonstrate our method on the well studied 2D Ising model with periodic boundary conditions, and show agreement with other results both for large and small system sizes. The method scales well with the system size, allowing one to simulate systems with many degrees of freedom, and providing complementary information with respect to other algorithms.

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preprint2012arXiv

Universal microstructure and mechanical stability of jammed packings

Jammed packings' mechanical properties depend sensitively on their detailed local structure. Here we provide a complete characterization of the pair correlation close to contact and of the force distribution of jammed frictionless spheres. In particular we discover a set of new scaling relations that connect the behavior of particles bearing small forces and those bearing no force but that are almost in contact. By performing systematic investigations for spatial dimensions d=3-10, in a wide density range and using different preparation protocols, we show that these scalings are indeed universal. We therefore establish clear milestones for the emergence of a complete microscopic theory of jamming. This description is also crucial for high-precision force experiments in granular systems.

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preprint2011arXiv

A microscopic mean-field theory of the jamming transition

Dense particle packings acquire rigidity through a nonequilibrium jamming transition commonly observed in materials from emulsions to sandpiles. We describe athermal packings and their observed geometric phase transitions using fully equilibrium statistical mechanics and develop a microscopic many-body mean-field theory of the jamming transition for soft repulsive spherical particles. We derive analytically some of the scaling laws and exponents characterizing the transition and obtain predictions for microscopic correlation functions of jammed states that are amenable to experimental verifications, and whose accuracy we confirm using computer simulations.

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preprint2011arXiv

Glass transition and random close packing above three dimensions

Motivated by a recently identified severe discrepancy between a static and a dynamic theory of glasses, we numerically investigate the behavior of dense hard spheres in spatial dimensions 3 to 12. Our results are consistent with the static replica theory, but disagree with the dynamic mode-coupling theory, indicating that key ingredients of high-dimensional physics are missing from the latter. We also obtain numerical estimates of the random close packing density, which provides new insights into the mathematical problem of packing spheres in large dimension.

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preprint2011arXiv

Leggett's bound for amorphous solids

We investigate the constraints on the superfluid fraction of an amorphous solid following from an upper bound derived by Leggett. In order to accomplish this, we use as input density profiles generated for amorphous solids in a variety of different manners including by investigating Gaussian fluctuations around classical results. These rough estimates suggest that, at least at the level of the upper bound, there is not much difference in terms of superfluidity between a glass and a crystal characterized by the same Lindemann ratio. Moreover, we perform Path Integral Monte Carlo simulations of distinguishable Helium 4 rapidly quenched from the liquid phase to very lower temperature, at the density of the freezing transition. We find that the system crystallizes very quickly, without any sign of intermediate glassiness. Overall our results suggest that the experimental observations of large superfluid fractions in Helium 4 after a rapid quench correspond to samples evolving far from equilibrium, instead of being in a stable glass phase. Other scenarios and comparisons to other results on the super-glass phase are also discussed.

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preprint2011arXiv

Microscopic theory of the jamming transition of harmonic spheres

We develop a microscopic theory to analyze the phase behaviour and compute correlation functions of dense assemblies of soft repulsive particles both at finite temperature, as in colloidal materials, and at vanishing temperature, a situation relevant for granular materials and emulsions. We use a mean-field statistical mechanical approach which combines elements of liquid state theory to replica calculations to obtain quantitative predictions for the location of phase boundaries, macroscopic thermodynamic properties and microstructure of the system. We focus in particular on the derivation of scaling properties emerging in the vicinity of the jamming transition occurring at large density and zero temperature. The new predictions we obtain for pair correlation functions near contact are tested using computer simulations. Our work also clarifies the conceptual nature of the jamming transition, and its relation to the phenomenon of the glass transition observed in atomic liquids.

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preprint2011arXiv

On the solution of a `solvable' model of an ideal glass of hard spheres displaying a jamming transition

We discuss the analytical solution through the cavity method of a mean field model that displays at the same time an ideal glass transition and a set of jamming points. We establish the equations describing this system, and we discuss some approximate analytical solutions and a numerical strategy to solve them exactly. We compare these methods and we get insight into the reliability of the theory for the description of finite dimensional hard spheres.

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preprint2011arXiv

The quantum Biroli-Mézard model: glass transition and superfluidity in a quantum lattice glass model

We study the quantum version of a lattice model whose classical counterpart captures the physics of structural glasses. We discuss the role of quantum fluctuations in such systems and in particular their interplay with the amorphous order developed in the glass phase. We show that quantum fluctuations might facilitate the formation of the glass at low enough temperature. We also show that the glass transition becomes a first-order transition between a superfluid and an insulating glass at very low temperature, and is therefore accompanied by phase coexistence between superfluid and glassy regions.

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preprint2010arXiv

A solvable model of quantum random optimization problems

We study the quantum version of a simplified model of optimization problems, where quantum fluctuations are introduced by a transverse field acting on the qubits. We find a complex low-energy spectrum of the quantum Hamiltonian, characterized by an abrupt condensation transition and a continuum of level crossings as a function of the transverse field. We expect this complex structure to have deep consequences on the behavior of quantum algorithms attempting to find solutions to these problems.

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preprint2010arXiv

Application of Edwards' statistical mechanics to high dimensional jammed sphere packings

The isostatic jamming limit of frictionless spherical particles from Edwards' statistical mechanics [Song \emph{et al.}, Nature (London) {\bf 453}, 629 (2008)] is generalized to arbitrary dimension $d$ using a liquid-state description. The asymptotic high-dimensional behavior of the self-consistent relation is obtained by saddle-point evaluation and checked numerically. The resulting random close packing density scaling $ϕ\sim d\,2^{-d}$ is consistent with that of other approaches, such as replica theory and density functional theory. The validity of various structural approximations is assessed by comparing with three- to six-dimensional isostatic packings obtained from simulations. These numerical results support a growing accuracy of the theoretical approach with dimension. The approach could thus serve as a starting point to obtain a geometrical understanding of the higher-order correlations present in jammed packings.

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preprint2010arXiv

Can the jamming transition be described using equilibrium statistical mechanics?

When materials such as foams or emulsions are compressed, they display solid behaviour above the so-called `jamming' transition. Because compression is done out-of-equilibrium in the absence of thermal fluctuations, jamming appears as a new kind of a nonequilibrium phase transition. In this proceeding paper, we suggest that tools from equilibrium statistical mechanics can in fact be used to describe many specific features of the jamming transition. Our strategy is to introduce thermal fluctuations and use statistical mechanics to describe the complex phase behaviour of systems of soft repulsive particles, before sending temperature to zero at the end of the calculation. We show that currently available implementations of standard tools such as integral equations, mode-coupling theory, or replica calculations all break down at low temperature and large density, but we suggest that new analytical schemes can be developed to provide a fully microscopic, quantitative description of the jamming transition.

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preprint2010arXiv

Mean field theory of hard sphere glasses and jamming

Hard spheres are ubiquitous in condensed matter: they have been used as models for liquids, crystals, colloidal systems, granular systems, and powders. Packings of hard spheres are of even wider interest, as they are related to important problems in information theory, such as digitalization of signals, error correcting codes, and optimization problems. In three dimensions the densest packing of identical hard spheres has been proven to be the FCC lattice, and it is conjectured that the closest packing is ordered (a regular lattice, e.g, a crystal) in low enough dimension. Still, amorphous packings have attracted a lot of interest, because for polydisperse colloids and granular materials the crystalline state is not obtained in experiments for kinetic reasons. We review here a theory of amorphous packings, and more generally glassy states, of hard spheres that is based on the replica method: this theory gives predictions on the structure and thermodynamics of these states. In dimensions between two and six these predictions can be successfully compared with numerical simulations. We will also discuss the limit of large dimension where an exact solution is possible. Some of the results we present here have been already published, but others are original: in particular we improved the discussion of the large dimension limit and we obtained new results on the correlation function and the contact force distribution in three dimensions. We also try here to clarify the main assumptions that are beyond our theory and in particular the relation between our static computation and the dynamical procedures used to construct amorphous packings.

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preprint2009arXiv

A theory of amorphous packings of binary mixtures of hard spheres

We extend our theory of amorphous packings of hard spheres to binary mixtures and more generally to multicomponent systems. The theory is based on the assumption that amorphous packings produced by typical experimental or numerical protocols can be identified with the infinite pressure limit of long lived metastable glassy states. We test this assumption against numerical and experimental data and show that the theory correctly reproduces the variation with mixture composition of structural observables, such as the total packing fraction and the partial coordination numbers.

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preprint2009arXiv

Exact solution of the Bose-Hubbard model on the Bethe lattice

The exact solution of a quantum Bethe lattice model in the thermodynamic limit amounts to solve a functional self-consistent equation. In this paper we obtain this equation for the Bose-Hubbard model on the Bethe lattice, under two equivalent forms. The first one, based on a coherent state path integral, leads in the large connectivity limit to the mean field treatment of Fisher et al. [Phys. Rev. B {\bf 40}, 546 (1989)] at the leading order, and to the bosonic Dynamical Mean Field Theory as a first correction, as recently derived by Byczuk and Vollhardt [Phys. Rev. B {\bf 77}, 235106 (2008)]. We obtain an alternative form of the equation using the occupation number representation, which can be easily solved with an arbitrary numerical precision, for any finite connectivity. We thus compute the transition line between the superfluid and Mott insulator phases of the model, along with thermodynamic observables and the space and imaginary time dependence of correlation functions. The finite connectivity of the Bethe lattice induces a richer physical content with respect to its infinitely connected counterpart: a notion of distance between sites of the lattice is preserved, and the bosons are still weakly mobile in the Mott insulator phase. The Bethe lattice construction can be viewed as an approximation to the finite dimensional version of the model. We show indeed a quantitatively reasonable agreement between our predictions and the results of Quantum Monte Carlo simulations in two and three dimensions.

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preprint2008arXiv

Dynamical modelling of molecular constructions and setups for DNA unzipping

We present a dynamical model of DNA mechanical unzipping under the action of a force. The model includes the motion of the fork in the sequence-dependent landscape, the trap(s) acting on the bead(s), and the polymeric components of the molecular construction (unzipped single strands of DNA, and linkers). Different setups are considered to test the model, and the outcome of the simulations is compared to simpler dynamical models existing in the literature where polymers are assumed to be at equilibrium.

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preprint2006arXiv

Can rare SAT formulas be easily recognized? On the efficiency of message passing algorithms for K-SAT at large clause-to-variable ratios

For large clause-to-variable ratio, typical K-SAT instances drawn from the uniform distribution have no solution. We argue, based on statistical mechanics calculations using the replica and cavity methods, that rare satisfiable instances from the uniform distribution are very similar to typical instances drawn from the so-called planted distribution, where instances are chosen uniformly between the ones that admit a given solution. It then follows, from a recent article by Feige, Mossel and Vilenchik, that these rare instances can be easily recognized (in O(log N) time and with probability close to 1) by a simple message-passing algorithm.

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preprint2006arXiv

Glassy behavior of light in random lasers

A theoretical analysis [Angelani et al., Phys. Rev. Lett. 96, 065702 (2006)] predicts glassy behaviour of light in a nonlinear random medium. This implies slow dynamics related to the presence of many metastable states. We consider very general equations (that also apply to other systems, like Bose-Condensed gases) describing light in a disordered non-linear medium and through some approximations we relate them to a mean-field spin-glass-like model. The model is solved by the replica method, and replica-symmetry breaking phase transition is predicted. The transition describes a mode-locking process in which the phases of the modes are locked to random (history and sample-dependent) values. The results are based on very general theory, and embrace a variety of physical phenomena.

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