No Arabic abstract
It is of vital importance to understand and track the dynamics of rapidly unfolding epidemics. The health and economic consequences of the current COVID-19 pandemic provide a poignant case. Here we point out that since they are based on differential equations, the most widely used models of epidemic spread are plagued by an approximation that is not justified in the case of the current COVID-19 pandemic. Taking the example of data from New York City, we show that currently used models significantly underestimate the initial basic reproduction number ($R_0$). The correct description, based on integral equations, can be implemented in most of the reported models and it much more accurately accounts for the dynamics of the epidemic after sharp changes in $R_0$ due to restrictive public congregation measures. It also provides a novel way to determine the incubation period, and most importantly, as we demonstrate for several countries, this method allows an accurate monitoring of $R_0$ and thus a fine-tuning of any restrictive measures. Integral equation based models do not only provide the conceptually correct description, they also have more predictive power than differential equation based models, therefore we do not see any reason for using the latter.
We use a stochastic Markovian dynamics approach to describe the spreading of vector-transmitted diseases, like dengue, and the threshold of the disease. The coexistence space is composed by two structures representing the human and mosquito populations. The human population follows a susceptible-infected-recovered (SIR) type dynamics and the mosquito population follows a susceptible-infected-susceptible (SIS) type dynamics. The human infection is caused by infected mosquitoes and vice-versa so that the SIS and SIR dynamics are interconnected. We develop a truncation scheme to solve the evolution equations from which we get the threshold of the disease and the reproductive ratio. The threshold of the disease is also obtained by performing numerical simulations. We found that for certain values of the infection rates the spreading of the disease is impossible whatever is the death rate of infected mosquito.
We apply Thermostatted Ring Polymer Molecular Dynamics (TRPMD), a recently-proposed approximate quantum dynamics method, to the computation of thermal reaction rates. Its short-time Transition-State Theory (TST) limit is identical to rigorous Quantum Transition-State Theory, and we find that its long-time limit is independent of the location of the dividing surface. TRPMD rate theory is then applied to one-dimensional model systems, the atom-diatom bimolecular reactions H+H$_2$, D+MuH and F+H$_2$, and the prototypical polyatomic reaction H+CH$_4$. Above the crossover temperature, the TRPMD rate is virtually invariant to the strength of the friction applied to the internal ring-polymer normal modes, and beneath the crossover temperature the TRPMD rate generally decreases with increasing friction, in agreement with the predictions of Kramers theory. We therefore find that TRPMD is approximately equal to, or less accurate than, Ring Polymer Molecular Dynamics (RPMD) for symmetric reactions, and for certain asymmetric systems and friction parameters closer to the quantum result, providing a basis for further assessment of the accuracy of this method.
The combination of numerical integration and deep learning, i.e., ODE-net, has been successfully employed in a variety of applications. In this work, we introduce inverse modified differential equations (IMDE) to contribute to the behaviour and error analysis of discovery of dynamics using ODE-net. It is shown that the difference between the learned ODE and the truncated IMDE is bounded by the sum of learning loss and a discrepancy which can be made sub exponentially small. In addition, we deduce that the total error of ODE-net is bounded by the sum of discrete error and learning loss. Furthermore, with the help of IMDE, theoretical results on learning Hamiltonian system are derived. Several experiments are performed to numerically verify our theoretical results.
We derive and asymptotically analyze mass-action models for disease spread that include transient pair formation and dissociation. Populations of unpaired susceptibles and infecteds are distinguished from the population of three types of pairs of individuals; both susceptible, one susceptible and one infected, and both infected. Disease transmission can occur only within a pair consisting of one susceptible individual and one infected individual. By considering the fast pair formation and fast pair dissociation limits, we use a perturbation expansion to formally derive a uniformly valid approximation for the dynamics of the total infected and susceptible populations. Under different parameter regimes, we derive uniformly valid effective equations for the total infected population and compare their results to those of the full mass-action model. Our results are derived from the fundamental mass-action system without implicitly imposing transmission mechanisms such as that used in frequency-dependent models. They provide a new formulation for effective pairing models and are compared with previous models.
Fungicide mixtures produced by the agrochemical industry often contain low-risk fungicides, to which fungal pathogens are fully sensitive, together with high-risk fungicides known to be prone to fungicide resistance. Can these mixtures provide adequate disease control while minimizing the risk for the development of resistance? We present a population dynamics model to address this question. We found that the fitness cost of resistance is a crucial parameter to determine the outcome of competition between the sensitive and resistant pathogen strains and to assess the usefulness of a mixture. If fitness costs are absent, then the use of the high-risk fungicide in a mixture selects for resistance and the fungicide eventually becomes nonfunctional. If there is a cost of resistance, then an optimal ratio of fungicides in the mixture can be found, at which selection for resistance is expected to vanish and the level of disease control can be optimized.