Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.

A modified stochastic model for LS+AR hybrid method and its application in polar motion short-term prediction

Short-term(up to 30 days)predictions of Earth Rotation Parameters(ERPs)such as Polar Motion(PM:PMX and PMY)play an essential role in real-time applications related to high-precision reference frame conversion.Currently,least squares(LS)+auto-regressive(AR)hybrid method is one of the main techniques of PM prediction.Besides,the weighted LS+AR hybrid method performs well for PM short-term prediction.However,the corresponding covariance information of LS fitting residuals deserves further exploration in the AR model.In this study,we have derived a modified stochastic model for the LS+AR hybrid method,namely the weighted LS+weighted AR hybrid method.By using the PM data products of IERS EOP 14 C04,the numerical results indicate that for PM short-term forecasting,the proposed weighted LS+weighted AR hybrid method shows an advantage over both the LS+AR hybrid method and the weighted LS+AR hybrid method.Compared to the mean absolute errors(MAEs)of PMX/PMY sho rt-term prediction of the LS+AR hybrid method and the weighted LS+AR hybrid method,the weighted LS+weighted AR hybrid method shows average improvements of 6.61%/12.08%and 0.24%/11.65%,respectively.Besides,for the slopes of the linear regression lines fitted to the errors of each method,the growth of the prediction error of the proposed method is slower than that of the other two methods.

Analytical and NumericalMethods to Study the MFPT and SR of a Stochastic Tumor-Immune Model

The Mean First-Passage Time (MFPT) and Stochastic Resonance (SR) of a stochastic tumor-immune model withnoise perturbation are discussed in this paper. Firstly, considering environmental perturbation, Gaussian whitenoise and Gaussian colored noise are introduced into a tumor growth model under immune surveillance. Asfollows, the long-time evolution of the tumor characterized by the Stationary Probability Density (SPD) and MFPTis obtained in theory on the basis of the Approximated Fokker-Planck Equation (AFPE). Herein the recurrenceof the tumor from the extinction state to the tumor-present state is more concerned in this paper. A moreefficient algorithmof Back-Propagation Neural Network (BPNN) is utilized in order to testify the correction of thetheoretical SPDandMFPT.With the existence of aweak signal, the functional relationship between Signal-to-NoiseRatio (SNR), noise intensities and correlation time is also studied. Numerical results show that both multiplicativeGaussian colored noise and additive Gaussian white noise can promote the extinction of the tumors, and themultiplicative Gaussian colored noise can lead to the resonance-like peak on MFPT curves, while the increasingintensity of the additiveGaussian white noise results in theminimum of MFPT. In addition, the correlation timesare negatively correlated with MFPT. As for the SNR, we find the intensities of both the Gaussian white noise andthe Gaussian colored noise, as well as their correlation intensity can induce SR. Especially, SNR is monotonouslyincreased in the case ofGaussian white noisewith the change of the correlation time.At last, the optimal parametersin BPNN structure are analyzed for MFPT from three aspects: the penalty factors, the number of neural networklayers and the number of nodes in each layer.

Recursive Filtering for Stochastic Systems With Filter-and-Forward Successive Relays

In this paper,the recursive filtering problem is considered for stochastic systems over filter-and-forward successive relay(FFSR)networks.An FFSR is located between the sensor and the remote filter to forward the measurement.In the successive relay,two cooperative relay nodes are adopted to forward the signals alternatively,thereby existing switching characteristics and inter-relay interferences(IRI).Since the filter-and-forward scheme is employed,the signal received by the relay is retransmitted after it passes through a linear filter.The objective of the paper is to concurrently design optimal recursive filters for FFSR and stochastic systems against switching characteristics and IRI of relays.First,a uniform measurement model is proposed by analyzing the transmission mechanism of FFSR.Then,novel filter structures with switching parameters are constructed for both FFSR and stochastic systems.With the help of the inductive method,filtering error covariances are presented in the form of coupled difference equations.Next,the desired filter gain matrices are further obtained by minimizing the trace of filtering error covariances.Moreover,the stability performance of the filtering algorithm is analyzed where the uniform bound is guaranteed on the filtering error covariance.Finally,the effectiveness of the proposed filtering method over FFSR is verified by a three-order resistance-inductance-capacitance circuit system.

Exponential Synchronization of Delayed Stochastic Complex Dynamical Networks via Hybrid Impulsive Control

Dear Editor,This letter addresses the synchronization problem of a class of delayed stochastic complex dynamical networks consisting of multiple drive and response nodes.The aim is to achieve mean square exponential synchronization for the drive-response nodes despite the simultaneous presence of time delays and stochastic noises in node dynamics.

Partially-Observed Maximum Principle for Backward Stochastic Differential Delay Equations

Dear Editor,This letter investigates a partially-observed optimal control problem for backward stochastic differential delay equations(BSDDEs).By utilizing Girsanov’s theory and convex variational method,we obtain a maximum principle on the assumption that the state equation contains time delay and the control domain is convex.The adjoint processes can be represented as the solutions of certain time-advanced stochastic differential equations in finite-dimensional spaces.Linear backward stochastic differential equation(BSDE)was first introduced by Bismut in[1],while general BSDE was given by Pardoux and Peng[2].Since then,the theory of BSDEs developed rapidly.The corresponding optimal control problems,whose states are driven by BSDEs,have also been widely studied by some authors,see[3]-[5].

Stochastic Maximum Principle for Optimal Advertising Models with Delay and Non-Convex Control Spaces

In this paper we study optimal advertising problems that model the introduction of a new product into the market in the presence of carryover effects of the advertisement and with memory effects in the level of goodwill. In particular, we let the dynamics of the product goodwill to depend on the past, and also on past advertising efforts. We treat the problem by means of the stochastic Pontryagin maximum principle, that here is considered for a class of problems where in the state equation either the state or the control depend on the past. Moreover the control acts on the martingale term and the space of controls U can be chosen to be non-convex but now the space of controls U can be chosen to be non-convex. The maximum principle is thus formulated using a first-order adjoint Backward Stochastic Differential Equations (BSDEs), which can be explicitly computed due to the specific characteristics of the model, and a second-order adjoint relation.

High Order IMEX Stochastic Galerkin Schemes for Linear Transport Equation with Random Inputs and Diffusive Scalings

In this paper,we consider the high order method for solving the linear transport equations under diffusive scaling and with random inputs.To tackle the randomness in the problem,the stochastic Galerkin method of the generalized polynomial chaos approach has been employed.Besides,the high order implicit-explicit scheme under the micro-macro decomposition framework and the discontinuous Galerkin method have been employed.We provide several numerical experiments to validate the accuracy and the stochastic asymptotic-preserving property.

An underdamped and delayed tri-stable model-based stochastic resonance

Stochastic resonance(SR) is investigated in an underdamped tri-stable potential system driven by Gaussian colored noise and a periodic excitation, where both displacement and velocity time-delayed states feedback are considered. It is challenging to study SR in a second-order delayed multi-stable system analytically. In this paper, the improved energy envelope stochastic average method is developed to derive the analytical expressions of stationary probability density(SPD)and spectral amplification. The effects of noise intensity, damping coefficient, and time delay on SR are analyzed. The results show that the shapes of joint SPD can be adjusted to the desired structure by choosing the time delay and feedback gains. For fixed time delay, the SR peak is increased for negative displacement or velocity feedback gain. Meanwhile, the SR peak is decreased while the optimal noise intensity increases with increasing correlation time of noise. The Monte Carlo simulations(MCS) confirm the effectiveness of the theoretical results.

Logical stochastic resonance in a cross-bifurcation non-smooth system

This paper investigates logical stochastic resonance(LSR)in a cross-bifurcation non-smooth system driven by Gaussian colored noise.In this system,a bifurcation parameter triggers a transition between monostability,bistability and tristability.By using Novikov's theorem and the unified colored noise approximation method,the approximate Fokker-Planck equation is obtained.Then we derive the generalized potential function and the transition rates to analyze the LSR phenomenon using numerical simulations.We simulate the logic operation of the system in the bistable and tristable regions respectively.We assess the impact of Gaussian colored noise on the LSR and discover that the reliability of the logic response depends on the noise strength and the bifurcation parameter.Furthermore,it is found that the bistable region has a more extensive parameter range to produce reliable logic operation compared with the tristable region,since the tristable region is more sensitive to noise than the bistable one.

Stochastic Simulation of Saline Intrusion in the Coastal Aquifer of Saloum, Senegal

In the Saloum region of central-western Senegal, water needs are essentially met by tapping an underground aquifer associated with the sandy-clay formations of the Continental Terminal, in contact with both the ocean to the west and the highly saline waters of the Saloum River to the north. In this estuarine and deltaic zone with its very low relief, the hydraulic loads in the water tables are generally close to zero or even negative, creating a reversal of the natural flow and encouraging saline intrusion into this system, which makes it very vulnerable. This study concerns the implementation of a numerical model of saline intrusion to provide a better understanding of the vulnerability of the water table by analyzing the variability of the freshwater/saltwater interface. The Modflow-2005 code is used to simulate saline intrusion using the SWI2 module, coupled with the GRASS (Geographic Resources Analysis Support System) software under the Linux operating system with the steep interface approach. The probable expansion of the wedge is studied in three scenarios, taking into account its position relative to the bedrock at 1 m, 5 m and 10 m. Simulations carried out under imposed potential and river conditions, based on variations in groundwater reserves using two effective porosity values, 10−1 and 10−2, show that the water table is highly vulnerable in the northwest sector. The probable expansion of the wedge increases as the storage coefficient decreases and is more marked with river conditions in the areas surrounding the Saloum River, reaching 6 km with a probability of 1. The probability of the wedge reaching a certain degree of expansion decreases from 1 to 0.5, and then cancels out as it moves inland. The probable position of the wedge is limited to 500 m or even 1 km depending on the corner around the coast to the southwest and in the southern zone. This modelling, carried out under natural conditions, will be developed further, taking into account climatic parameters and pumping from wells and boreholes.

Stochastic seismic inversion and Bayesian facies classification applied to porosity modeling and igneous rock identification

We apply stochastic seismic inversion and Bayesian facies classification for porosity modeling and igneous rock identification in the presalt interval of the Santos Basin. This integration of seismic and well-derived information enhances reservoir characterization. Stochastic inversion and Bayesian classification are powerful tools because they permit addressing the uncertainties in the model. We used the ES-MDA algorithm to achieve the realizations equivalent to the percentiles P10, P50, and P90 of acoustic impedance, a novel method for acoustic inversion in presalt. The facies were divided into five: reservoir 1,reservoir 2, tight carbonates, clayey rocks, and igneous rocks. To deal with the overlaps in acoustic impedance values of facies, we included geological information using a priori probability, indicating that structural highs are reservoir-dominated. To illustrate our approach, we conducted porosity modeling using facies-related rock-physics models for rock-physics inversion in an area with a well drilled in a coquina bank and evaluated the thickness and extension of an igneous intrusion near the carbonate-salt interface. The modeled porosity and the classified seismic facies are in good agreement with the ones observed in the wells. Notably, the coquinas bank presents an improvement in the porosity towards the top. The a priori probability model was crucial for limiting the clayey rocks to the structural lows. In Well B, the hit rate of the igneous rock in the three scenarios is higher than 60%, showing an excellent thickness-prediction capability.

Computing large deviation prefactors of stochastic dynamical systems based on machine learning

We present a large deviation theory that characterizes the exponential estimate for rare events in stochastic dynamical systems in the limit of weak noise.We aim to consider a next-to-leading-order approximation for more accurate calculation of the mean exit time by computing large deviation prefactors with the aid of machine learning.More specifically,we design a neural network framework to compute quasipotential,most probable paths and prefactors based on the orthogonal decomposition of a vector field.We corroborate the higher effectiveness and accuracy of our algorithm with two toy models.Numerical experiments demonstrate its powerful functionality in exploring the internal mechanism of rare events triggered by weak random fluctuations.

A Stochastic Model to Assess the Epidemiological Impact of Vaccine Booster Doses on COVID-19 and Viral Hepatitis B Co-Dynamics with Real Data

A patient co-infected with COVID-19 and viral hepatitis B can be atmore risk of severe complications than the one infected with a single infection.This study develops a comprehensive stochastic model to assess the epidemiological impact of vaccine booster doses on the co-dynamics of viral hepatitis B and COVID-19.The model is fitted to real COVID-19 data from Pakistan.The proposed model incorporates logistic growth and saturated incidence functions.Rigorous analyses using the tools of stochastic calculus,are performed to study appropriate conditions for the existence of unique global solutions,stationary distribution in the sense of ergodicity and disease extinction.The stochastic threshold estimated from the data fitting is given by:R_(0)^(S)=3.0651.Numerical assessments are implemented to illustrate the impact of double-dose vaccination and saturated incidence functions on the dynamics of both diseases.The effects of stochastic white noise intensities are also highlighted.

A Mean-Field Game for a Forward-Backward Stochastic System With Partial Observation and Common Noise

This paper considers a linear-quadratic(LQ) meanfield game governed by a forward-backward stochastic system with partial observation and common noise,where a coupling structure enters state equations,cost functionals and observation equations.Firstly,to reduce the complexity of solving the meanfield game,a limiting control problem is introduced.By virtue of the decomposition approach,an admissible control set is proposed.Applying a filter technique and dimensional-expansion technique,a decentralized control strategy and a consistency condition system are derived,and the related solvability is also addressed.Secondly,we discuss an approximate Nash equilibrium property of the decentralized control strategy.Finally,we work out a financial problem with some numerical simulations.

Distributed Stochastic Optimization with Compression for Non-Strongly Convex Objectives

We are investigating the distributed optimization problem,where a network of nodes works together to minimize a global objective that is a finite sum of their stored local functions.Since nodes exchange optimization parameters through the wireless network,large-scale training models can create communication bottlenecks,resulting in slower training times.To address this issue,CHOCO-SGD was proposed,which allows compressing information with arbitrary precision without reducing the convergence rate for strongly convex objective functions.Nevertheless,most convex functions are not strongly convex(such as logistic regression or Lasso),which raises the question of whether this algorithm can be applied to non-strongly convex functions.In this paper,we provide the first theoretical analysis of the convergence rate of CHOCO-SGD on non-strongly convex objectives.We derive a sufficient condition,which limits the fidelity of compression,to guarantee convergence.Moreover,our analysis demonstrates that within the fidelity threshold,this algorithm can significantly reduce transmission burden while maintaining the same convergence rate order as its no-compression equivalent.Numerical experiments further validate the theoretical findings by demonstrating that CHOCO-SGD improves communication efficiency and keeps the same convergence rate order simultaneously.And experiments also show that the algorithm fails to converge with low compression fidelity and in time-varying topologies.Overall,our study offers valuable insights into the potential applicability of CHOCO-SGD for non-strongly convex objectives.Additionally,we provide practical guidelines for researchers seeking to utilize this algorithm in real-world scenarios.

Numerical Analysis of Bacterial Meningitis Stochastic Delayed Epidemic Model through Computational Methods

Based on theWorld Health Organization(WHO),Meningitis is a severe infection of the meninges,the membranes covering the brain and spinal cord.It is a devastating disease and remains a significant public health challenge.This study investigates a bacterial meningitis model through deterministic and stochastic versions.Four-compartment population dynamics explain the concept,particularly the susceptible population,carrier,infected,and recovered.The model predicts the nonnegative equilibrium points and reproduction number,i.e.,the Meningitis-Free Equilibrium(MFE),and Meningitis-Existing Equilibrium(MEE).For the stochastic version of the existing deterministicmodel,the twomethodologies studied are transition probabilities and non-parametric perturbations.Also,positivity,boundedness,extinction,and disease persistence are studiedrigorouslywiththe helpofwell-known theorems.Standard and nonstandard techniques such as EulerMaruyama,stochastic Euler,stochastic Runge Kutta,and stochastic nonstandard finite difference in the sense of delay have been presented for computational analysis of the stochastic model.Unfortunately,standard methods fail to restore the biological properties of the model,so the stochastic nonstandard finite difference approximation is offered as an efficient,low-cost,and independent of time step size.In addition,the convergence,local,and global stability around the equilibria of the nonstandard computational method is studied by assuming the perturbation effect is zero.The simulations and comparison of the methods are presented to support the theoretical results and for the best visualization of results.

A modified stochastic finite-fault method for estimating strong ground motion:Validation and application

We developed a modified stochastic finite-fault method for estimating strong ground motions.An adjustment to the dynamic corner frequency was introduced,which accounted for the effect of the location of the subfault relative to the hypocenter and rupture propagation direction,to account for the influence of the rupture propagation direction on the subfault dynamic corner frequency.By comparing the peak ground acceleration(PGA),pseudo-absolute response spectra acceleration(PSA,damping ratio of 5%),and duration,the results of the modified and existing methods were compared,demonstrating that our proposed adjustment to the dynamic corner frequency can accurately reflect the rupture directivity effect.We applied our modified method to simulate near-field strong motions within 150 km of the 2008 MW7.9 Wenchuan earthquake rupture.Our modified method performed well over a broad period range,particularly at 0.04-4 s.The total deviations of the stochastic finite-fault method(EXSIM)and the modified EXSIM were 0.1676 and 0.1494,respectively.The modified method can effectively account for the influence of the rupture propagation direction and provide more realistic ground motion estimations for earthquake disaster mitigation.

Distributed Fault Estimation for Nonlinear Systems With Sensor Saturation and Deception Attacks Using Stochastic Communication Protocols

This paper is aimed at the distributed fault estimation issue associated with the potential loss of actuator efficiency for a type of discrete-time nonlinear systems with sensor saturation.For the distributed estimation structure under consideration,an estimation center is not necessary,and the estimator derives its information from itself and neighboring nodes,which fuses the state vector and the measurement vector.In an effort to cut down data conflicts in communication networks,the stochastic communication protocol(SCP)is employed so that the output signals from sensors can be selected.Additionally,a recursive security estimator scheme is created since attackers randomly inject malicious signals into the selected data.On this basis,sufficient conditions for a fault estimator with less conservatism are presented which ensure an upper bound of the estimation error covariance and the mean-square exponential boundedness of the estimating error.Finally,a numerical example is used to show the reliability and effectiveness of the considered distributed estimation algorithm.

L_(1)-Smooth SVM with Distributed Adaptive Proximal Stochastic Gradient Descent with Momentum for Fast Brain Tumor Detection

Brain tumors come in various types,each with distinct characteristics and treatment approaches,making manual detection a time-consuming and potentially ambiguous process.Brain tumor detection is a valuable tool for gaining a deeper understanding of tumors and improving treatment outcomes.Machine learning models have become key players in automating brain tumor detection.Gradient descent methods are the mainstream algorithms for solving machine learning models.In this paper,we propose a novel distributed proximal stochastic gradient descent approach to solve the L_(1)-Smooth Support Vector Machine(SVM)classifier for brain tumor detection.Firstly,the smooth hinge loss is introduced to be used as the loss function of SVM.It avoids the issue of nondifferentiability at the zero point encountered by the traditional hinge loss function during gradient descent optimization.Secondly,the L_(1) regularization method is employed to sparsify features and enhance the robustness of the model.Finally,adaptive proximal stochastic gradient descent(PGD)with momentum,and distributed adaptive PGDwithmomentum(DPGD)are proposed and applied to the L_(1)-Smooth SVM.Distributed computing is crucial in large-scale data analysis,with its value manifested in extending algorithms to distributed clusters,thus enabling more efficient processing ofmassive amounts of data.The DPGD algorithm leverages Spark,enabling full utilization of the computer’s multi-core resources.Due to its sparsity induced by L_(1) regularization on parameters,it exhibits significantly accelerated convergence speed.From the perspective of loss reduction,DPGD converges faster than PGD.The experimental results show that adaptive PGD withmomentumand its variants have achieved cutting-edge accuracy and efficiency in brain tumor detection.Frompre-trained models,both the PGD andDPGD outperform other models,boasting an accuracy of 95.21%.