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The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in generating even the simplest ordered crystalline structures. The problem is attributed to particles being trapped in local minima during the score-driven simulated annealing of the diffusion process, similar to the physical process of force-driven simulated annealing. We develop a solution, the grand canonical diffusion model, which adopts an alternative voxel-based representation with continuous rather than fixed number of particles. The method is applied towards generation of several common crystalline phases as well as the technologically important and challenging problem of grain boundary structures.

Mobile edge computing (MEC) is a promising computing paradigm that offers users proximity and instant computing services for various applications, and it has become an essential component of the Internet of Things (IoT). However, as compute-intensive services continue to emerge and the number of IoT devices explodes, MEC servers are confronted with resource limitations. In this work, we investigate a task-offloading framework for device-assisted edge computing, which allows MEC servers to assign certain tasks to auxiliary IoT devices (ADs) for processing. To facilitate efficient collaboration among task IoT devices (TDs), the MEC server, and ADs, we propose an incentive-driven pricing and task allocation scheme. Initially, the MEC server employs the Vickrey auction mechanism to recruit ADs. Subsequently, based on the Stackelberg game, we analyze the interactions between TDs and the MEC server. Finally, we establish the optimal service pricing and task allocation strategy, guided by the Stackelberg model and priority settings. Simulation results show that the proposed scheme dramatically improves the utility of the MEC server while safeguarding the interests of TDs and ADs, achieving a triple-win scenario., Comment: This paper is accepted by IEEE Globecom 2024

The combination of mobile edge computing (MEC) and radio frequency-based wireless power transfer (WPT) presents a promising technique for providing sustainable energy supply and computing services at the network edge. This study considers a wireless-powered mobile edge computing system that includes a hybrid access point (HAP) equipped with a computing unit and multiple Internet of Things (IoT) devices. In particular, we propose a novel muti-user cooperation scheme to improve computation performance, where collaborative clusters are dynamically formed. Each collaborative cluster comprises a source device (SD) and an auxiliary device (AD), where the SD can partition the computation task into various segments for local processing, offloading to the HAP, and remote execution by the AD with the assistance of the HAP. Specifically, we aims to maximize the weighted sum computation rate (WSCR) of all the IoT devices in the network. This involves jointly optimizing collaboration, time and data allocation among multiple IoT devices and the HAP, while considering the energy causality property and the minimum data processing requirement of each device. Initially, an optimization algorithm based on the interior-point method is designed for time and data allocation. Subsequently, a priority-based iterative algorithm is developed to search for a near-optimal solution to the multi-user collaboration scheme. Finally, a deep learning-based approach is devised to further accelerate the algorithm's operation, building upon the initial two algorithms. Simulation results show that the performance of the proposed algorithms is comparable to that of the exhaustive search method, and the deep learning-based algorithm significantly reduces the execution time of the algorithm., Comment: Accepted to IEEE Open Journal of the Communications Society

With the development of the Internet of Things (IoT), certain IoT devices have the capability to not only accomplish their own tasks but also simultaneously assist other resource-constrained devices. Therefore, this paper considers a device-assisted mobile edge computing system that leverages auxiliary IoT devices to alleviate the computational burden on the edge computing server and enhance the overall system performance. In this study, computationally intensive tasks are decomposed into multiple partitions, and each task partition can be processed in parallel on an IoT device or the edge server. The objective of this research is to develop an efficient online algorithm that addresses the joint optimization of task partitioning and parallel scheduling under time-varying system states, posing challenges to conventional numerical optimization methods. To address these challenges, a framework called online task partitioning action and parallel scheduling policy generation (OTPPS) is proposed, which is based on deep reinforcement learning (DRL). Specifically, the framework leverages a deep neural network (DNN) to learn the optimal partitioning action for each task by mapping input states. Furthermore, it is demonstrated that the remaining parallel scheduling problem exhibits NP-hard complexity when considering a specific task partitioning action. To address this subproblem, a fair and delay-minimized task scheduling (FDMTS) algorithm is designed. Extensive evaluation results demonstrate that OTPPS achieves near-optimal average delay performance and consistently high fairness levels in various environmental states compared to other baseline schemes., Comment: Accepted to IEEE Internet of Things Journal

Due to advantages in security and privacy, blockchain is considered a key enabling technology to support 6G communications. Practical Byzantine Fault Tolerance (PBFT) and RAFT are seen as the most applicable consensus mechanisms (CMs) in blockchain-enabled wireless networks. However, previous studies on PBFT and RAFT rarely consider the channel performance of the physical layer, such as path loss and channel fading, resulting in research results that are far from real networks. Additionally, 6G communications will widely deploy high-frequency signals such as terahertz (THz) and millimeter wave (mmWave), while performances of PBFT and RAFT are still unknown when these signals are transmitted in wireless PBFT or RAFT networks. Therefore, it is urgent to study the performance of non-ideal wireless PBFT and RAFT networks with THz and mmWave signals, to better make PBFT and RAFT play a role in the 6G era. In this paper, we study and compare the performance of THz and mmWave signals in non-ideal wireless PBFT and RAFT networks, considering Rayleigh Fading (RF) and close-in Free Space (FS) reference distance path loss. Performance is evaluated by five metrics: consensus success rate, latency, throughput, reliability gain, and energy consumption. Meanwhile, we find and derive that there is a maximum distance between two nodes that can make CMs inevitably successful, and it is named the active distance of CMs. The research results analyze the performance of non-ideal wireless PBFT and RAFT networks, and provide important references for the future transmission of THz and mmWave signals in PBFT and RAFT networks., Comment: arXiv admin note: substantial text overlap with arXiv:2303.15759

With the rapid development of cloud computing, edge computing, and smart devices, computing power resources indicate a trend of ubiquitous deployment. The traditional network architecture cannot efficiently leverage these distributed computing power resources due to computing power island effect. To overcome these problems and improve network efficiency, a new network computing paradigm is proposed, i.e., Computing Power Network (CPN). Computing power network can connect ubiquitous and heterogenous computing power resources through networking to realize computing power scheduling flexibly. In this survey, we make an exhaustive review on the state-of-the-art research efforts on computing power network. We first give an overview of computing power network, including definition, architecture, and advantages. Next, a comprehensive elaboration of issues on computing power modeling, information awareness and announcement, resource allocation, network forwarding, computing power transaction platform and resource orchestration platform is presented. The computing power network testbed is built and evaluated. The applications and use cases in computing power network are discussed. Then, the key enabling technologies for computing power network are introduced. Finally, open challenges and future research directions are presented as well.