arXiv subjects

Amos Maritan

Publications and source records attributed to Amos Maritan.

At least 55 records · Page 3Linked to original sources

arXiv2021

Inducing and optimizing Markovian Mpemba effect with stochastic reset

A hot Markovian system can cool down faster than a colder one: this is known as the Mpemba effect. Here, we show that a non-equilibrium driving via stochastic reset can induce this phenomenon, when absent. Moreover, we derive an optimal driving protocol simultaneously optimizing the appearance time of the Mpemba effect, and the total energy dissipation into the environment, revealing the existence of a Pareto front. Building upon previous experimental results, our findings open up the avenue of possible experimental realizations of optimal cooling protocols in Markovian systems.

cond-mat.stat-mech↗

arXiv2021

Marginally compact phase and ordered ground states in a model polymer with side spheres

We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key modifications of standard polymer behavior. One obtains a novel marginally compact phase at low temperatures, the structures in this phase are reduced in dimensionality and are ordered, they include strands assembled into sheets and a variety of helices, and at least one of the transitions on lowering the temperature to access these ordered states is found to be first order. Our model serves to partially bridge conventional polymer phases with biomolecular phases.

cond-mat.soft↗

arXiv2021

Spontaneous dimensional reduction and novel ground state degeneracy in a simple chain model

Chain molecules play a key role in the polymer field and in living cells. Our focus is on a new homopolymer model of a linear chain molecule subject to an attractive self-interaction promoting compactness. We analyze the model using simple analytic arguments complemented by extensive computer simulations. We find several striking results: there is a first order transition from a high temperature random coil phase to a highly unusual low temperature phase; the modular ground states exhibit significant degeneracy; the ground state structures exhibit spontaneous dimensional reduction and have a two-layer structure; and the ground states are assembled from secondary motifs of helices and strands connected by tight loops. We discuss the similarities and notable differences between the ground state structures (we call these PoSSuM -- Planar Structures with Secondary Motifs) in the novel phase and protein native state structures.

cond-mat.stat-mech↗

arXiv2021

Local sequence-structure relationships in proteins

We seek to understand the interplay between amino acid sequence and local structure in proteins. Are some amino acids unique in their ability to fit harmoniously into certain local structures? What is the role of sequence in sculpting the putative native state folds from myriad possible conformations? In order to address these questions, we represent the local structure of each C-alpha atom of a protein by just two angles, theta and mu, and we analyze a set of more than 4000 protein structures from the PDB. We use a hierarchical clustering scheme to divide the 20 amino acids into six distinct groups based on their similarity to each other in fitting local structural space. We present the results of a detailed analysis of patterns of amino acid specificity in adopting local structural conformations and show that the sequence-structure correlation is not very strong compared to a random assignment of sequence to structure. Yet, our analysis may be useful to determine an effective scoring rubric for quantifying the match of an amino acid to its putative local structure.

q-bio.BM↗

arXiv2021

Ginzburg-Landau amplitude equation for nonlinear nonlocal models

Regular spatial structures emerge in a wide range of different dynamics characterized by local and/or nonlocal coupling terms. In several research fields this has spurred the study of many models, which can explain pattern formation. The modulations of patterns, occurring on long spatial and temporal scales, can not be captured by linear approximation analysis. Here, we show that, starting from a general model with long range couplings displaying patterns, the spatio-temporal evolution of large scale modulations at the onset of instability is ruled by the well-known Ginzburg-Landau equation, independently of the details of the dynamics. Hence, we demonstrate the validity of such equation in the description of the behavior of a wide class of systems. We introduce a novel mathematical framework that is also able to retrieve the analytical expressions of the coefficients appearing in the Ginzburg-Landau equation as functions of the model parameters. Such framework can include higher order nonlocal interactions and has much larger applicability than the model considered here, possibly including pattern formation in models with very different physical features.

cond-mat.stat-mech↗

arXiv2021

Building blocks of protein structures -- Physics meets Biology

The native state structures of globular proteins are stable and well-packed indicating that self-interactions are favored over protein-solvent interactions under folding conditions. We use this as a guiding principle to derive the geometry of the building blocks of protein structures, alpha-helices and strands assembled into beta-sheets, with no adjustable parameters, no amino acid sequence information, and no chemistry. There is an almost perfect fit between the dictates of mathematics and physics and the rules of quantum chemistry. Our theory establishes an energy landscape that channels protein evolution by providing sequence-independent platforms for elaborating sequence-dependent functional diversity. Our work highlights the vital role of discreteness in life and has implications for the creation of artificial life and on the nature of life elsewhere in the cosmos.

q-bio.BM↗

arXiv2020

True scale-free networks hidden by finite size effects

We analyze about two hundred naturally occurring networks with distinct dynamical origins to formally test whether the commonly assumed hypothesis of an underlying scale-free structure is generally viable. This has recently been questioned on the basis of statistical testing of the validity of power law distributions of network degrees by contrasting real data. Specifically, we analyze by finite-size scaling analysis the datasets of real networks to check whether purported departures from the power law behavior are due to the finiteness of the sample size. In this case, power laws would be recovered in the case of progressively larger cutoffs induced by the size of the sample. We find that a large number of the networks studied follow a finite size scaling hypothesis without any self-tuning. This is the case of biological protein interaction networks, technological computer and hyperlink networks, and informational networks in general. Marked deviations appear in other cases, especially infrastructure and transportation but also social networks. We conclude that underlying scale invariance properties of many naturally occurring networks are extant features often clouded by finite-size effects due to the nature of the sample data.

physics.soc-ph↗

arXiv2020

Coarse-grained entropy production with multiple reservoirs: unraveling the role of time-scales and detailed balance in biology-inspired systems

A general framework to describe a vast majority of biology-inspired systems is to model them as stochastic processes in which multiple couplings are in play at the same time. Molecular motors, chemical reaction networks, catalytic enzymes, and particles exchanging heat with different baths, constitute some interesting examples of such a modelization. Moreover, they usually operate out of equilibrium, being characterized by a net production of entropy, which entails a constrained efficiency. Hitherto, in order to investigate multiple processes simultaneously driving a system, all theoretical approaches deal with them independently, at a coarse-grained level, or employing a separation of time-scales. Here, we explicitly take in consideration the interplay among time-scales of different processes, and whether or not their own evolution eventually relaxes toward an equilibrium state in a given sub-space. We propose a general framework for multiple coupling, from which the well-known formulas for the entropy production can be derived, depending on the available information about each single process. Furthermore, when one of the processes does not equilibrate in its sub-space, even if much faster than all the others, it introduces a finite correction to the entropy production. We employ our framework in various simple and pedagogical examples, for which such a corrective term can be related to a typical scaling of physical quantities in play.

cond-mat.stat-mech↗

arXiv2020

Thermodynamic uncertainty relations in a linear system

We consider a Brownian particle in harmonic confinement of stiffness $k$, in one dimension in the underdamped regime. The whole setup is immersed in a heat bath at temperature $T$. The center of harmonic trap is dragged under any arbitrary protocol. The thermodynamic uncertainty relations for both position of the particle and current at time $t$ are obtained using the second law of thermodynamics as well as the positive semi-definite property of the correlation matrix of work and degrees of freedom of the system for both underdamped and overdamped cases.

cond-mat.stat-mech↗

arXiv2020

Testing the critical brain hypothesis using a phenomelogical renormalization group

We present a systematic study to test a recently introduced phenomenological renormalization group, proposed to coarse-grain data of neural activity from their correlation matrix. The approach allows, at least in principle, to establish whether the collective behavior of the network of spiking neurons is described by a non-Gaussian critical fixed point. We test this renormalization procedure in a variety of models focusing in particular on the contact process, which displays an absorbing phase transition at $λ= λ_c$ between a silent and an active state. We find that the results of the coarse-graining do not depend on the presence of long-range interactions, but some scaling features persist in the super-critical system up to a distance of $10\%$ from $λ_c$. Our results provide insights on the possible subtleties that one needs to consider when applying such phenomenological approaches directly to data to infer signatures of criticality.

cond-mat.stat-mech↗

arXiv2019

Emergence of Network Motifs in Deep Neural Networks

Network science can offer fundamental insights into the structural and functional properties of complex systems. For example, it is widely known that neuronal circuits tend to organize into basic functional topological modules, called "network motifs". In this article we show that network science tools can be successfully applied also to the study of artificial neural networks operating according to self-organizing (learning) principles. In particular, we study the emergence of network motifs in multi-layer perceptrons, whose initial connectivity is defined as a stack of fully-connected, bipartite graphs. Our simulations show that the final network topology is primarily shaped by learning dynamics, but can be strongly biased by choosing appropriate weight initialization schemes. Overall, our results suggest that non-trivial initialization strategies can make learning more effective by promoting the development of useful network motifs, which are often surprisingly consistent with those observed in general transduction networks.

nlin.AO↗

arXiv2019

Upscaling human activity data: an ecological perspective

In recent years we have witnessed an explosion of data collected for different human dynamics, from email communication to social networks activities. Extract useful information from these huge data sets represents a major challenge. In the last decades, statistical regularities has been widely observed in human activities and various models have been proposed. Here we move from modeling to inference and propose a statistical framework capable to predict global features of human activities from local knowledge. We consider four data sets of human activities: email communication, Twitter posts, Wikipedia articles and Gutenberg books. From the statistics of local activities, such as sent emails per senders, post per hashtags and word occurrences collected in a small sample of the considered dataset, we infer global features, as the number of senders, hashtags and words at the global scale. Our estimates are robust and accurate with a small relative error. Moreover, we predict how abundance of a hashtag or of a word may change through scales. Thus, observing a small portion of tweets and the popularity of a given hashtag among them, we can estimate whether it will remain popular or not in the unseen part of the network. Our approach is grounded on statistical ecology as we discover inference of unseen human activity hallmarks can be mapped into the unseen species problem in biodiversity. Our findings may have applications to different areas, from resource management in emails to collective attention monitoring in Twitter and to language learning process in word databases.

physics.soc-ph↗

arXiv2019

DNA energy constraints shape biological evolutionary trajectories

Most living systems rely on double-stranded DNA (dsDNA) to store their genetic information and perpetuate themselves. This biological information has been considered the main target of evolution. However, here we show that symmetries and patterns in the dsDNA sequence can emerge from the physical peculiarities of the dsDNA molecule itself and the maximum entropy principle alone, rather than from biological or environmental evolutionary pressure. The randomness justifies the human codon biases and context-dependent mutation patterns in human populations. Thus, the DNA "exceptional symmetries", emerged from the randomness, have to be taken into account when looking for the DNA encoded information. Our results suggest that the double helix energy constraints and, more generally, the physical properties of the dsDNA are the hard drivers of the overall DNA sequence architecture, whereas the biological selective processes act as soft drivers, which only under extraordinary circumstances overtake the overall entropy content of the genome.

q-bio.BM↗

arXiv2019

Local symmetry determines the phases of linear chains: a simple model for the self-assembly of peptide

We discuss the relation between the emergence of new phases with broken symmetry within the framework of simple models of biopolymers. We start with a classic model for a chain molecule of spherical beads tethered together, with the steric constraint that non-consecutive beads cannot overlap, and with a pairwise attractive square well potential accounting for the hydrophobic effect and promoting compaction. We then discuss the consequences of the successive breaking of spurious symmetries. First, we allow the partial interpenetration of consecutive beads. In addition to the standard high temperature coil phase and the low temperature collapsed phase, this results in a new class of marginally compact ground states comprising conformations reminiscent of $α$-helices and $β$-sheets, the building blocks of the native states of globular proteins. We then discuss the effect of a further symmetry breaking of the cylindrical symmetry on attaching a side-sphere to the backbone beads along the negative normal of the chain, to mimic the presence of side chains in real proteins. This leads to the emergence of a novel phase within the previously obtained marginally compact phase, with the appearance of more complex secondary structure assemblies. The potential importance of this new phase in the \textit{de novo} design of self-assembled peptides is highlighted.

cond-mat.soft↗

arXiv2019

Entropy production in Master Equations and Fokker-Planck Equations: facing the coarse-graining and recovering the information loss

Systems operating out of equilibrium exchange energy and matter with the environment, thus producing entropy in their surroundings. Since the entropy production depends on the current flowing throughout the system, its quantification is affected by the level of coarse-graining we adopt. In particular, it has been shown that the description of a system via a Fokker-Planck equation (FPE) lead to an underestimation of the entropy production with respect to the corresponding one in terms of microscopic transition rates. Moreover, such a correction can be derived exactly. Here we review this derivation, generalizing it when different prescriptions to derive the FPE from a Langevin equation are adopted. Then, some open problems about Gaussian transition rates and underdamped limit are discussed. In the second part of the manuscript we present a new approach to dealing with the discrepancy in entropy production due to the coarse graining by introducing enough microscopic variables to correctly estimate the entropy production within the FPE description. We show that any discrete state system can be described by making explicit the contribution of each microscopic current.

cond-mat.stat-mech↗

arXiv2019

Entropy production for coarse-grained dynamics

Systems out of equilibrium exhibit a net production of entropy. We study the dynamics of a stochastic system represented by a Master Equation that can be modeled by a Fokker-Planck equation in a coarse-grained, mesoscopic description. We show that the corresponding coarse-grained entropy production contains information on microscopic currents that are not captured by the Fokker-Planck equation and thus cannot be deduced from it. We study a discrete-state and a continuous-state system, deriving in both the cases an analytical expression for the coarse-graining corrections to the entropy production. This result elucidates the limits in which there is no loss of information in passing from a Master Equation to a Fokker-Planck equation describing the same system. Our results are amenable of experimental verification, which could help to infer some information about the underlying microscopic processes.

cond-mat.stat-mech↗

arXiv2018

How neutral and niche forces contribute to speciation processes?

The evolutionary and ecological processes behind the origin of species are among the most fundamental problems in biology. In fact, many theoretical hypothesis on different type of speciation have been proposed. In particular, models of sympatric speciation leading to the formation of new species without geographical isolation, are based on the niche hypothesis: the diversification of the population is induced by the competition for a limited set of the available resources. On the other hand, neutral models of evolution have shown that stochastic forces are sufficient to generate coexistence of different species. In this work, we bring this dichotomy to the context of species formation, and we study how neutral and niche forces contribute to sympatric speciation in a model ecosystem. In particular, we study the evolution of a population of individuals with asexual reproduction whose inherited characters or phenotypes are specified by both niche-based and neutral traits. We analyse the stationary state of the dynamics, and study the distribution of individuals in the whole space of possible phenotypes. We show, both by numerical simulations and analytics, that there is a non-trivial coupling between neutral and niche forces induced by stochastic effects in the evolution of the population that allows the formation of clusters (i.e., species) in the phenotypic space. Our framework can be generalised also to sexual reproduction or other type of population dynamics.

q-bio.PE↗

arXiv2018

The elixir phase of chain molecule

A phase of matter is a familiar notion for inanimate physical matter. The nature of a phase of matter transcends the microscopic material properties. For example, materials in the liquid phase have certain common properties independent of the chemistry of the constituents: liquids take the shape of the container; they flow; and they can be poured -- alcohol, oil and water as well as a Lennard-Jones computer model exhibit similar behavior when poised in the liquid phase. Here we identify a hitherto unstudied `phase' of matter, the elixir phase, in a simple model of a polymeric chain whose backbone has the correct local cylindrical symmetry induced by the tangent to the chain. The elixir phase appears on breaking the cylindrical symmetry by adding side spheres along the negative normal direction, as in proteins. This phase, nestled between other phases, has multiple ground states made up of building blocks of helices and almost planar sheets akin to protein native folds. We discuss the similarities of this `phase' of a finite size system to the liquid crystal and spin glass phases. Our findings are relevant for understanding proteins; the creation of novel bio-inspired nano-machines; and also may have implications for life elsewhere in the cosmos.

cond-mat.soft↗