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Vladimir V. Palyulin

Publications and source records attributed to Vladimir V. Palyulin.

At least 19 recordsLinked to original sources

Active movement of foraging sea turtles generates anomalous looping

Animals inhabiting diverse environments by moving across different spatial scales, from insects to birds, marine predators, mammals and even humans, often display apparently random movement paths. Over the past decade, novel biologging technologies have recorded these patterns in increasing detail, generating a wealth of experimental data. A central challenge is to understand such complex patterns by constructing data-driven mathematical models. Many animal movements depart from Brownian motion, as described by correlated random walks, Lévy walks, or active particle dynamics. Yet, these movement models do not incorporate long-term non-Markovian memory extracted from experimental trajectories. Here, we construct a stochastic generalised Langevin equation from satellite tracking data for loggerhead sea turtles (Caretta caretta) foraging off the coast of West Africa. We find that these turtles exhibit active movement characterised by large-scale loops that are not explained by ocean currents or chirality. These loops maintain movement within a specific foraging region and, over intermediate timescales, generate superdiffusion similar to Lévy walks. We thus identify a loop-based form of active anomalous search related to foraging patterns observed across a wide range of animal species, which may inspire robotic search strategies and AI-based metaheuristic optimisation algorithms.

cond-mat.stat-mech↗

Parametrized-circuit-free quantum regression with variance regularization

Quantum regression tasks for predicting properties of quantum states are commonly addressed using variational quantum algorithms. While variational quantum circuits are highly expressive and allow to achieve reasonable accuracy, training these circuits may demand a considerable amount of time and resources. In this work, we propose an approach of constructing problem-specific quantum regression models with encoding relevant symmetries and regularizing the variance. The proposed method is based on finding the coefficients of the linear combination of suitably chosen observables. Although it requires the knowledge of the symmetries of the problem in question, the method does not involve parameterized quantum circuits, and the training is done efficiently once the observables are measured. We demonstrate this method on two examples: Prediction of the transverse field strength in the Ising model, and quantification of entanglement in bipartite qubit systems. Our approach is accurate and less resource-intensive than conventional variational methods.

quant-ph↗

Interaction Field Matching: Overcoming Limitations of Electrostatic Models

Electrostatic field matching (EFM) has recently appeared as a novel physics-inspired paradigm for data generation and transfer using the idea of an electric capacitor. However, it requires modeling electrostatic fields using neural networks, which is non-trivial because of the necessity to take into account the complex field outside the capacitor plates. In this paper, we propose Interaction Field Matching (IFM), a generalization of EFM which allows using general interaction fields beyond the electrostatic one. Furthermore, inspired by strong interactions between quarks and antiquarks in physics, we design a particular interaction field realization which solves the problems which arise when modeling electrostatic fields in EFM. We show the performance on a series of toy and image data transfer problems. Our code is available at https://github.com/justkolesov/InteractionFieldMatching

cs.LG↗

Distributed quantum architecture search using multi-agent reinforcement learning

Quantum architecture search (QAS) automates the design of parameterized quantum circuits for variational quantum algorithms. The framework finds a well-suited problem-specific structure of a variational ansatz. Among possible implementations of QAS the reinforcement learning (RL) stands out as one of the most promising. Current RL approaches are single-agent-based and show poor scalability with a number of qubits due to the increase of the action space dimension and the computational cost. We propose a novel multi-agent RL algorithm for QAS with each agent acting separately on its own block of a quantum circuit. This procedure allows to significantly accelerate the convergence of the RL-based QAS and reduce its computational cost. We benchmark the proposed algorithm on MaxCut problem on 3-regular graphs and on ground energy estimation for the Schwinger Hamiltonian. In addition, the proposed multi-agent approach naturally fits into the set-up of distributed quantum computing, favoring its implementation on modern intermediate scale quantum devices.

quant-ph↗

Electric Currents for Discrete Data Generation

We propose $\textbf{E}$lectric $\textbf{C}$urrent $\textbf{D}$iscrete $\textbf{D}$ata $\textbf{G}$eneration (ECD$^{2}$G), a pioneering method for data generation in discrete settings that is grounded in electrical engineering theory. Our approach draws an analogy between electric current flow in a circuit and the transfer of probability mass between data distributions. We interpret samples from the source distribution as current input nodes of a circuit and samples from the target distribution as current output nodes. A neural network is then used to learn the electric currents to represent the probability flow in the circuit. To map the source distribution to the target, we sample from the source and transport these samples along the circuit pathways according to the learned currents. This process provably guarantees transfer between data distributions. We present proof-of-concept experiments to illustrate our ECD$^{2}$G method.

cs.LG↗

Field Matching: an Electrostatic Paradigm to Generate and Transfer Data

We propose Electrostatic Field Matching (EFM), a novel method that is suitable for both generative modeling and distribution transfer tasks. Our approach is inspired by the physics of an electrical capacitor. We place source and target distributions on the capacitor plates and assign them positive and negative charges, respectively. Then we learn the electrostatic field of the capacitor using a neural network approximator. To map the distributions to each other, we start at one plate of the capacitor and move the samples along the learned electrostatic field lines until they reach the other plate. We theoretically justify that this approach provably yields the distribution transfer. In practice, we demonstrate the performance of our EFM in toy and image data experiments. Our code is available at https://github.com/justkolesov/FieldMatching

cs.LG↗

Predicting properties of quantum systems by regression on a quantum computer

Quantum computers can be considered as a natural means for performing machine learning tasks for inherently quantum labeled data. Many quantum machine learning techniques have been developed for solving classification problems, such as distinguishing between phases of matter or quantum processes. Similarly, one can consider a more general problem of regression, when the aim is to predict continuous labels quantifying properties of quantum states, such as purity or entanglement. In this work, we propose a method for predicting such properties. The method is based on the notion of parametrized quantum circuits, and it seeks to find an observable the expectation of which gives the prediction of the property of interest with a low variance. We numerically test our approach in learning to predict (i) the parameter of a parametrized channel given its output state, (ii) entanglement of two-qubit states, and (iii) the parameter of a parametrized Hamiltonian given its ground state. The results show that the proposed method is able to find observables such that they provide highly accurate predictions of the considered properties, and in some cases even saturate the Cramer-Rao bound, which characterizes the prediction error. We also compare our method with the Bayesian approach, and find that the latter prefers to minimize the prediction variance, having therefore a larger bias.

quant-ph↗

Diffusion of fast and slow excitons with an exchange in quasi-two-dimensional systems

By means of analytical calculations and numerical simulations we study the diffusion properties in quasi-two-dimensional structures with two exciton subsystems with an exchange between them. The experimental realisation is possible in systems where fast and slow exciton subsystems appear. For substantially different diffusion coefficients of the species the negative diffusion can be observed, if one measures the transport properties of only a single subsystem, just as was obtained in experimental studies for quasi-two-dimensional semiconductor systems. The initial transition from a fast subsystem to a slow one results in a delayed release of fast excitons in the area close to the original excitation spot. Hence, the signal from the fast excitons alone includes the delayed replenishment from the transition of slow quasi-particles. This is seen as the narrowing of the exciton density profile or decrease of mean-squared displacement which is then interpreted as a negative diffusion. The average diffusion coefficients for the combined population are analytically expressed through the diffusion coefficients of fast and slow excitons. Simple analytical expressions for effective diffusion coefficients obtained in limiting cases are of interest both for theoretical and experimental analysis of not only the exciton transport, but also for a variety of systems, where fast and slow moving subsystems are present.

cond-mat.stat-mech↗

Negative diffusion of excitons in quasi-two-dimensional systems

We show how two different mobile-immobile type models explain the observation of negative diffusion of excitons reported in experimental studies in quasi-two-dimensional semiconductor systems. The main reason for the effect is the initial trapping and a delayed release of free excitons in the area close to the original excitation spot. The density of trapped excitons is not registered experimentally. Hence, the signal from the free excitons alone includes the delayed release of not diffusing trapped particles. This is seen as the narrowing of the exciton density profile or decrease of mean-squared displacement which is then interpreted as a negative diffusion. The effect is enhanced with the increase of recombination intensity as well as the rate of the exciton-exciton binary interactions.

cond-mat.mes-hall↗

Conformations and dynamics of active star polymers

We study conformations and dynamics of active star polymers. The analysis shows that active star polymers stretching behaviour is quite different from that of active linear chains. The visual inspection of conformations and bond-bond correlations reveal a better coordination for the alignment and coordination of bonds for the star polymers than for the linear counterparts. The architecture substantially affects the chain extension transition at high values of active force. The scaling laws for the shape factor and the arm asphericity ratio established for the passive star polymers coincide with the passive case for active force values below the transition. For the values above the transition range the scaling of these quantities switches to different values.

cond-mat.soft↗

Gradient dynamics in reinforcement learning

Despite the success achieved by the analysis of supervised learning algorithms in the framework of statistical mechanics, reinforcement learning has remained largely untouched. Here we move towards closing the gap by analyzing the dynamics of the policy gradient algorithm. For a convex problem, we show that it obeys a drift-diffusion motion with coeffcients tuned by learning rate. Furthermore, we propose a mapping between a non-convex reinforcement learning problem and a disordered system. This mapping enables us to show how the learning rate acts as an effective temperature and thus is capable of smoothing rough landscapes, corroborating what is displayed by the drift-diffusive description and paving the way for physics-inspired algorithmic optimization based on annealing procedures in disordered systems.

cond-mat.stat-mech↗

Complex diffusion-based kinetics of photoluminescence in semiconductor nanoplatelets

We present a diffusion-based simulation and theoretical models for explanation of photoluminescence (PL) emission intensity in semiconductor nanoplatelets. It is shown that the shape of PL intensity curves can be reproduced by the interplay of recombination, diffusion and trapping of excitons. The emission intensity at short times is purely exponential and is defined by recombination. At long times it is governed by the release of excitons from surface traps and is characterized by a power-law tail. We show that the crossover from one limit to another is controlled by diffusion properties. This intermediate region exhibits a rich behaviour depending on the value of diffusivity. Proposed approach reproduces all the features of experimental curves measured for different nanoplatelet systems.

cond-mat.mes-hall↗

Scaling up the lattice dynamics of amorphous materials by orders of magnitude

We generalise the non-affine theory of viscoelasticity for use with large, well-sampled systems of arbitrary chemical complexity. Having in mind predictions of mechanical and vibrational properties of amorphous systems with atomistic resolution, we propose an extension of the Kernel Polynomial Method (KPM) for the computation of the vibrational density of states (VDOS) and the eigenmodes, including the $Γ$-correlator of the affine force-field, which is a key ingredient of lattice-dynamic calculations of viscoelasticity. We show that the results converge well to the solution obtained by direct diagonalization (DD) of the Hessian (dynamical) matrix. As is well known, the DD approach has prohibitively high computational requirements for systems with $N=10^4$ atoms or larger. Instead, the KPM approach developed here allows one to scale up lattice dynamic calculations of real materials up to $10^6$ atoms, with a hugely more favorable (linear) scaling of computation time and memory consumption with $N$.

cond-mat.dis-nn↗

Parameter-free predictions of the viscoelastic response of glassy polymers from non-affine lattice dynamics

We study the viscoelastic response of amorphous polymers using theory and simulations. By accounting for internal stresses and considering instantaneous normal modes (INMs) within athermal non-affine theory, we make parameter-free predictions of the dynamic viscoelastic moduli obtained in coarse-grained simulations of polymer glasses at non-zero temperatures. The theoretical results show very good correspondence with rheology data collected from molecular dynamics simulations over five orders of magnitude in frequency, with some instabilities that accumulate in the low-frequency part on approach to the glass transition. These results provide evidence that the mechanical glass transition itself is continuous and thus represents a crossover rather than a true phase transition. The relatively sharp drop of the low-frequency storage modulus across the glass transition temperature can be explained mechanistically within the proposed theory: the proliferation of low-eigenfrequency vibrational excitations (boson peak and nearly-zero energy excitations) is directly responsible for the rapid growth of a negative non-affine contribution to the storage modulus.

cond-mat.soft↗

Interpretation of the vibrational spectra of glassy polymers using coarse-grained simulations

The structure and vibrational density of states (VDOS) of polymer glasses are investigated using numerical simulations based on the classical Kremer-Grest bead-spring model. We focus on the roles of chain length and bending stiffness, the latter being set by imposing three-body angular potentials along chain backbones. Upon increasing the chain length and bending stiffness, structural reorganisation leads to volumetric expansion of the material and build-up of internal stresses. The VDOS has two dominant bands: a low frequency one corresponding to inter- and intra-chain non-bonding interactions and a high frequency one corresponding principally to vibrations of bonded beads that constitute skeletal chain backbones. Upon increasing the steepness of the angular potential, vibrational modes associated with chain bending gradually move from the low-frequency to the high-frequency band. This redistribution of modes is reflected in a reduction of the so-called Boson peak upon increasing chain stiffness. Remarkably, the finer structure and the peaks of the high-frequency band, and their variations with stiffness, can, for short chains, be explained using an analytical solution derived for a model triatomic molecule. For longer chains, the qualitative evolution of the VDOS with chain stiffness is similar, although the distinct peaks observed for short chains become increasingly smoothed-out. Our findings can be used to guide a systematic approach to interpretation of Brillouin and Raman scattering spectra of glassy polymers in future work, with applications in polymer processing diagnostics.

cond-mat.soft↗

Nonmonotonic dependence of polymer glass mechanical response on chain bending stiffness

We investigate the mechanical properties of amorphous polymers by means of coarse-grained simulations and nonaffine lattice dynamics theory. A small increase of polymer chain bending stiffness leads first to softening of the material, while hardening happens only upon further strengthening of the backbones. This nonmonotonic variation of the storage modulus $G'$ with bending stiffness is caused by a competition between additional resistance to deformation offered by stiffer backbones and decreased density of the material due to a necessary decrease in monomer-monomer coordination. This counter-intuitive finding suggests that the strength of polymer glasses may in some circumstances be enhanced by softening the bending of constituent chains.

cond-mat.soft↗

Optimization of random search processes in the presence of an external bias

We study the efficiency of random search processes based on L{é}vy flights with power-law distributed jump lengths in the presence of an external drift, for instance, an underwater current, an airflow, or simply the bias of the searcher based on prior experience. While Lévy flights turn out to be efficient search processes when relative to the starting point the target is upstream, in the downstream scenario regular Brownian motion turns out to be advantageous. This is caused by the occurrence of leapovers of L{é}vy flights, due to which L{é}vy flights typically overshoot a point or small interval. Extending our recent work on biased LF search [V. V. Palyulin, A. V. Chechkin, and R. Metzler, Proc. Natl. Acad. Sci. USA, DOI:10.1073/pnas.1320424111] we establish criteria when the combination of the external stream and the initial distance between the starting point and the target favors L{é}vy flights over regular Brownian search. Contrary to the common belief that L{é}vy flights with a L{é}vy index $α=1$ (i.e., Cauchy flights) are optimal for sparse targets, we find that the optimal value for $α$ may range in the entire interval $(1,2)$ and include Brownian motion as the overall most efficient search strategy.

cond-mat.stat-mech↗

Searching with and against the stream: Levy or Brown?

We study the efficiency of search processes based on Levy flights (LFs) with power-law distributed jump lengths in the presence of an external drift. While LFs turn out to be efficient search processes when relative to the starting point the target is upstream, in the downstream scenario regular Brownian motion turns out to be advantageous. This is caused by the occurrence of leapovers of LFs, due to which LFs typically overshoot a point in space. We establish criteria when the combination of the external stream and the initial distance between the starting point and the target favors LFs over regular Brownian search. Contrary to the common belief that LFs with a stable index alpha=1 are optimal, we find that the optimal alpha may range in the entire interval (1,2) and even include Brownian motion as the overall most efficient search strategy.

cond-mat.stat-mech↗