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Charalampos Skokos

Charalampos Skokos contributes to research discovery and scholarly infrastructure.

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Published work

11 published item(s)

preprint2026arXiv

ChaosNetBench: Benchmarking Spatio-Temporal Graph Neural Networks on Chaotic Lattice Dynamics

Spatio-temporal graph neural networks (STGNNs) are widely used for short-term forecasting in dynamic physical systems such as traffic and weather. However, the prevailing evaluation practice uses real world benchmark data sets in a single domain with a single fixed holdout splits, making it difficult to compare architectures across different dynamical regimes. We introduce ChaosNetBench (CNB), a synthetic benchmark dataset and evaluation framework for studying STGNN performance under controlled multidimensional chaotic dynamics. CNB is built on a lattice of coupled standard maps with independently tunable local chaos ($K$), coupling strength ($\varepsilon$), and system size ($N$), providing known topology and known dynamics across 96 system instances and 9{,}600 trajectories. We introduce chaos indicators, evaluation metrics and a protocol to analyze and compare the capacity of STGNN architectures to deal with different levels of local and global chaos. We illustrate the usage of the framework by analyzing 13 architectures (5 STGNNs and 8 non-graph baselines). The results reveal a regime dependent transition in which non-graph baselines (TCN, N-BEATS, iTransformer) remain competitive when there is low local chaos, while STGNNs (e.g., Graph WaveNet, D2STGNN, STAEformer) are generally more resilient to higher levels of local and global chaos. CNB provides a practical, reusable testbed for systematically comparing and analyzing the capacity of STGNN architectures to handle different levels of local and global chaos.

preprint2022arXiv

Bubble relaxation dynamics in homopolymer DNA sequences

Understanding the inherent timescales of large bubbles in DNA is critical to a thorough comprehension of its physicochemical characteristics, as well as their potential role on helix opening and biological function. In this work we employ the coarse-grained Peyrard-Bishop-Dauxois model of DNA to study relaxation dynamics of large bubbles in homopolymer DNA, using simulations up to the microsecond time scale. By studying energy autocorrelation functions of relatively large bubbles inserted into thermalised DNA molecules, we extract characteristic relaxation times from the equilibration process for both adenine-thymine (AT) and guanine-cytosine (GC) homopolymers. Bubbles of different amplitudes and widths are investigated through extensive statistics and appropriate fittings of their relaxation. Characteristic relaxation times increase with bubble height and width. We show that, within the model, relaxation times are two orders of magnitude longer in GC sequences than in AT sequences. Overall, our results confirm that large bubbles leave a lasting impact on the molecule's dynamics, for times between 0.4-200ns depending on the homopolymer type and bubble shape, thus clearly affecting long-time evolutions of the molecule.

preprint2022arXiv

Wave-packet spreading in disordered soft architected structures

We study the dynamical and chaotic behavior of a disordered one-dimensional elastic mechanical lattice which supports translational and rotational waves. The model used in this work is motivated by the recent experimental results of B. Deng et al., Nat. Commun. 9, 3410 (2018). This lattice is characterized by strong geometrical nonlinearities and the coupling of two degrees-of-freedom (DoFs) per site. Although the linear limit of the structure consists of a linear Fermi-Pasta-Ulam-Tsingou lattice and a linear Klein-Gordon (KG) lattice whose DoFs are uncoupled, by using single site initial excitations on the rotational DoF, we evoke the nonlinear coupling between the system's translational and rotational DoFs. Our results reveal that such coupling induces rich wave-packet spreading behavior in the presence of strong disorder. In the weakly nonlinear regime, we observe energy spreading only due to the coupling of the two DoFs (per site) which is in contrast to what is known for KG lattices with a single DoF per lattice site, where the spreading occurs due to chaoticity. Additionally, for strong nonlinearities, we show that initially localized wave-packets attain near ballistic behavior in contrast to other known models. We also reveal persistent chaos during energy spreading, although its strength decreases in time as quantified by the evolution of the system's finite-time maximum Lyapunov exponent. Our results show that flexible, disordered and strongly nonlinear lattices are a viable platform to study energy transport in combination with multiple DoFs (per site), also present an alternative way to control energy spreading in heterogeneous media.

preprint2021arXiv

Energy spreading, equipartition and chaos in lattices with non-central forces

We numerically study a one dimensional, nonlinear lattice model which in the linear limit is relevant to the study of bending (flexural) waves. In contrast with the classic one dimensional mass-spring system, the linear dispersion relation of the considered model has different characteristics in the low frequency limit. By introducing disorder in the masses of the lattice particles, we investigate how different nonlinearities (cubic, quartic and their combination) lead to energy delocalization, equipartition and chaotic dynamics. We excite the lattice using single site initial momentum excitations corresponding to a strongly localized linear mode and increase the initial energy of excitation. Beyond a certain energy threshold, when the cubic nonlinearity is present, the system is found to reach energy equipartition and total delocalization. On the other hand, when only the quartic nonlinearity is activated, the system remains localized and away from equipartition at least for the energies and evolution times considered here. However, for large enough energies for all types of nonlinearities we observe chaos. This chaotic behavior is combined with energy delocalization when cubic nonlinearities are present, while the appearance of only quartic nonlinearity leads to energy localization. Our results reveal a rich dynamical behavior and show differences with the relevant Fermi-Pasta-Ulam-Tsingou model. Our findings pave the way for the study of models relevant to bending (flexural) waves in the presence of nonlinearity and disorder, anticipating different energy transport behaviors.

preprint2021arXiv

Energy Transport in 1-Dimensional Oscillator Arrays With Hysteretic Damping

Energy transport in 1-dimensional oscillator arrays has been extensively studied to date in the conservative case, as well as under weak viscous damping. When driven at one end by a sinusoidal force, such arrays are known to exhibit the phenomenon of supratransmission, i.e. a sudden energy surge above a critical driving amplitude. In this paper, we study 1-dimensional oscillator chains in the presence of hysteretic damping, and include nonlinear stiffness forces that are important for many materials at high energies. We first employ Reid's model of local hysteretic damping, and then study a new model of nearest neighbor dependent hysteretic damping to compare their supratransmission and wave packet spreading properties in a deterministic as well as stochastic setting. The results have important quantitative differences, which should be helpful when comparing the merits of the two models in specific engineering applications.

preprint2021arXiv

Frequency map analysis of spatiotemporal chaos in the nonlinear disordered Klein-Gordon lattice

We study the characteristics of chaos evolution of initially localized energy excitations in the one-dimensional nonlinear disordered Klein-Gordon lattice of anharmonic oscillators, by computing the time variation of the fundamental frequencies of the motion of each oscillator. We focus our attention on the dynamics of the so-called `weak' and `strong chaos' spreading regimes [2010, EPL 91 30001], for which Anderson localization is destroyed. Based on the fact that large variations of the fundamental frequencies denote strong chaotic behavior, we show that in both regimes chaos is more intense at the central regions of the wave packet, where also the energy content is higher, while the oscillators at the wave packet's edges exhibit regular motion up until the time they gain enough energy to become part of the highly excited portion of the wave packet. Eventually, the percentage of chaotic oscillators remains practically constant, despite the fact that the number of excited sites grows as the wave packet spreads, but the portion of highly chaotic sites decreases in time. We show that the extent of the zones of regular motion at the edges of the wave packet in the strong chaos regime is much smaller than in the weak chaos case. Furthermore, we find that in the strong chaos regime the chaotic component of the wave packet is not only more extended than in the weak chaos one, but in addition the fraction of strongly chaotic oscillators is much higher. Another important difference between the weak and strong chaos regimes is that in the latter case a significantly larger number of frequencies is excited, even from the first stages of the evolution. Moreover, our computations confirmed the shifting of fundamental frequencies outside the normal mode frequency band of the linear system in the case of the so-called `selftrapping' regime where a large part of the wave packet remains localized.

preprint2021arXiv

Identifying localized and spreading chaos in nonlinear disordered lattices by the Generalized Alignment Index (GALI) method

Implementing the Generalized Alignment Index (GALI) method of chaos detection we investigate the dynamical behavior of the nonlinear disordered Klein-Gordon lattice chain in one spatial dimension. By performing extensive numerical simulations of single site and single mode initial excitations, for several disordered realizations and different disorder strengths, we determine the probability to observe chaotic behavior as the system is approaching its linear limit, i.e. when its total energy, which plays the role of the system's nonlinearity strength, decreases. We find that the percentage of chaotic cases diminishes as the energy decreases leading to exclusively regular motion on multidimensional tori. We also discriminate between localized and spreading chaos, with the former dominating the dynamics for lower energy values. In addition, our results show that single mode excitations lead to more chaotic behaviors for larger energies compared to single site excitations. Furthermore, we demonstrate how the GALI method can be efficiently used to determine a characteristic chaoticity time scale for the system when strong enough nonlinearites lead to energy delocalization in both the so-called `weak' and `strong chaos' spreading regimes.

preprint2021arXiv

Nonlinear Topological Edge States: from Dynamic Delocalization to Thermalization

We consider a mechanical lattice inspired by the Su-Schrieffer-Heeger model along with cubic Klein-Gordon type nonlinearity. We investigate the long-time dynamics of the nonlinear edge states, which are obtained by nonlinear continuation of topological edge states of the linearized model. Linearly unstable edge states delocalize and lead to chaos and thermalization of the lattice. Linearly stable edge states also reach the same fate, but after a critical strength of perturbation is added to the initial edge state. We show that the thermalized lattice in all these cases shows an effective renormalization of the dispersion relation. Intriguingly, this renormalized dispersion relation displays a unique symmetry, i.e., its square is symmetric about a finite squared frequency, akin to the chiral symmetry of the linearized model.

preprint2020arXiv

Chaotic dynamics of graphene and graphene nanoribbons

We study the chaotic dynamics of graphene structures, considering both a periodic, defect free, graphene sheet and graphene nanoribbons (GNRs) of various widths. By numerically calculating the maximum Lyapunov exponent, we quantify the chaoticity for a spectrum of energies in both systems. We find that for all cases, the chaotic strength increases with the energy density, and that the onset of chaos in graphene is slow, becoming evident after more than $10^4$ natural oscillations of the system. For the GNRs, we also investigate the impact of the width and chirality (armchair or zigzag edges) on their chaotic behavior. Our results suggest that due to the free edges the chaoticity of GNRs is stronger than the periodic graphene sheet, and decreases by increasing width, tending asymptotically to the bulk value. In addition, the chaotic strength of armchair GNRs is higher than a zigzag ribbon of the same width. Further, we show that the composition of ${}^{12}C$ and ${}^{13}C$ carbon isotopes in graphene has a minor impact on its chaotic strength.

preprint2020arXiv

Chaotic wave packet spreading in two-dimensional disordered nonlinear lattices

We reveal the generic characteristics of wave packet delocalization in two-dimensional nonlinear disordered lattices by performing extensive numerical simulations in two basic disordered models: the Klein-Gordon system and the discrete nonlinear Schrödinger equation. We find that in both models (a) the wave packet's second moment asymptotically evolves as $t^{a_m}$ with $a_m \approx 1/5$ ($1/3$) for the weak (strong) chaos dynamical regime, in agreement with previous theoretical predictions [S.~Flach, Chem.~Phys.~{\bf 375}, 548 (2010)], (b) chaos persists, but its strength decreases in time $t$ since the finite time maximum Lyapunov exponent $Λ$ decays as $Λ\propto t^{α_Λ}$, with $α_Λ \approx -0.37$ ($-0.46$) for the weak (strong) chaos case, and (c) the deviation vector distributions show the wandering of localized chaotic seeds in the lattice's excited part, which induces the wave packet's thermalization. We also propose a dimension-independent scaling between the wave packet's spreading and chaoticity, which allows the prediction of the obtained $α_Λ$ values.

preprint2020arXiv

On the behavior of the Generalized Alignment Index (GALI) method for regular motion in multidimensional Hamiltonian systems

We investigate the behavior of the Generalized Alignment Index of order $k$ (GALI$_k$) for regular orbits of multidimensional Hamiltonian systems. The GALI$_k$ is an efficient chaos indicator, which asymptotically attains positive values for regular motion when $2\leq k \leq N$, with $N$ being the dimension of the torus on which the motion occurs. By considering several regular orbits in the neighborhood of two typical simple, stable periodic orbits of the Fermi-Pasta-Ulam-Tsingou (FPUT) $β$ model for various values of the system's degrees of freedom, we show that the asymptotic GALI$_k$ values decrease when the index's order $k$ increases and when the orbit's energy approaches the periodic orbit's destabilization energy where the stability island vanishes, while they increase when the considered regular orbit moves further away from the periodic one for a fixed energy. In addition, performing extensive numerical simulations we show that the index's behavior does not depend on the choice of the initial deviation vectors needed for its evaluation.