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Machine Learning Local Potentials For Accelerated Electron-Phonon Interactions Calculations Within The Projector Augmented-Wave Framework, Yi Xia

Mechanical and Materials Engineering Faculty Publications and Presentations

Electron–phonon interactions govern carrier dynamics, transport, and many optical and quantum phenomena in solids, but finite-displacement calculations within the projector augmented-wave (PAW) framework require up to 6N self-consistent supercell calculations for an N-atom system, making them costly for large, low-symmetry, and disordered materials. We introduce MLLocP, a machine learning (ML) strategy that learns the self-consistent local potential (LocP) on real-space grids and supplies its displacement derivatives to the evaluation of all-electron PAW electron–phonon matrix elements. Analysis of the PAW decomposition identifies the local-potential contribution as a natural target for machine learning, while the remaining PAW quantities are retained within the …

Llm-Driven Simulation Method For Mobilization Decision-Making In Weapons And Equipment Supply Chain, Qichang Guo, Jihai Zhang, Zichu Qin

Journal of System Simulation

Abstract: A LLM-driven multi-agent simulation model for production mobilization in the weapons and equipment supply chain is developed to address the practical challenge of transitioning the supply chain from peacetime to wartime production in response to surging wartime demand. The model consists of a military demand layer, a supply chain execution layer, and a mobilization decision-making layer. An LLM is incorporated as a mobilization decision generation module to represent the dynamic regulation of production conversion and expansion under war-readiness budget and production safety constraints. The simulation results show that compared with the no-mobilization and rule-based mobilization strategies, the LLM-based strategy …

Chemical Plant Control Based On Dynamic Simulation And Reinforcement Learning, Yuxin Li, Haijie Li, Shangbo Han, Kai Gao, Qingyuan Zhang, Yanwen Xiao, Zhengcai Liu

Journal of System Simulation

Abstract: An intelligent control strategy framework combining offline training and on-site deployment for regenerative thermal oxidizer (RTO) operation control based on RL is proposed to solve the problem that fluctuations in exhaust gas concentration and flow, as well as changes in working conditions, make it difficult for RTO to maintain the system operating parameters within the economically optimal range in practical applications. In the offline phase, RL is employed to enable autonomous policy learning and global optimization. In the online phase, an adaptive policy correction mechanism based on real-time data is introduced. RL control strategy is integrated with the operation …

Five-Dimensional Digital Twin System For Closed-Loop Gasoline Blending Optimization, Yaning Fang, Renchu He

Journal of System Simulation

Abstract: An adaptive blending optimization system based on five-dimensional digital twin theory is designed and developed to address the challenges of strict nonlinear constraints and frequent raw material fluctuations. A five-dimensional model architecture is constructed to achieve virtual-real mapping and synergy throughout the blending process. A closed-loop control strategy of "online model correction and dynamic recipe optimization" is proposed. The constrained recursive least squares (RLS) algorithm is adopted to update the octane blending effect model parameters, resolving the model mismatch caused by raw material fluctuations. The linear decreasing weight particle swarm optimization algorithm (LDW-PSO) is combined to determine the optimal …

Research On Digital Shipyard Design-Procurement Coupling Based On Multi-Agent Systems, Kaitai Peng, Dingyi Feng, Wenbo Zhao, Feier Chen

Journal of System Simulation

Abstract: To address the issues of low supply chain collaboration efficiency and inadequate dynamic scheduling capability caused by the disconnection between design and procurement in digital shipbuilding, a method integrating multi-agent simulation with the Q-learning reinforcement learning algorithm is proposed, and a four-tier dynamic supply chain model coupling design and procurement is developed, covering mines, steel mills, shipyards, and shipowners. Based on the depth of collaboration, steel mills are classified into three levels, including full collaboration, partial collaboration, and noncollaboration, with differentiated state spaces and reward functions designed to simulate intelligent pricing and game behaviors under information asymmetry. Simulation results …

Mission-Oriented Combat Effectiveness Evaluation Model For Intelligent Equipment System-Of-Systems, Long Zhang, Wenbo Huang, Xuanming Feng, Zhen Lei, Ying Wang

Journal of System Simulation

Abstract: A hierarchical evolutionary adaptive learning (HEAL) framework is proposed to address the problems in the operational simulation of intelligent equipment systems under complex adversarial environments, including fragmented hierarchical decision-making, unclear mapping between algorithmic indicators and operational effectiveness, and the lack of adaptive evolution capability of simulation models. A multi-layer learning architecture that integrates robust autonomous decision-making for single units, emergent collaboration of system networks, and game-theoretic evolution of system-of-systems strategies is constructed by following the “micro-meso-macro” system-oriented hierarchical modeling paradigm. A cross-layer closed-loop coupling among learned policies, cooperative structures, and operational effectiveness is achieved by combining bottom-up behavioral abstraction …

Multimodal Perception-Based Trajectory Planning Method For Uavs In Forest Environments, Dequan Li, Jiahao Jiang

Journal of System Simulation

Abstract: To address the requirements for low-latency local planning and safe obstacle avoidance in UAV forest-fire patrol under dense tree-trunk occlusion and locally invalid depth observations, this paper proposes a learning-based local trajectory planning method that fuses depth images, local occupancy distance maps, candidate-level collision-risk assessment, and pre-execution safety reranking. The method uses depth images, local occupancy distance maps, motion states, and target direction as inputs and generates 15 quintic-polynomial candidate trajectories in parallel using 3 × 5 angular motion primitives. During training, candidate safety costs, ranking supervision, and near-collision risk labels are constructed. During inference, online LiDAR point clouds …

Manifold Alignment And Dual Prediction-Based Adaptive Dynamic Multi-Objective Evolutionary Algorithm, Xuezhi Yue, Chao Xiong, Yanshen Jiang, Zhaolu Guo, Hu Peng

Journal of System Simulation

Abstract: To address prediction failure, manifold topology distortion, and insufficient adaptability in environmental response and operator configuration in existing prediction-based algorithms for dynamic multi-objective optimization under complex nonlinear environments and small-sample settings, this paper proposes a manifold alignment and dual prediction-based adaptive dynamic multi-objective evolutionary algorithm, termed MADP-DMOEA. When the environment changes, the algorithm decomposes the decision-variable manifold into center and shape components, effectively aligns manifolds at adjacent time instants via bipartite optimal matching, and identifies environmental change severity using geometric displacement. A dual prediction model is developed, in which a GRNN performs center extrapolation under severe changes, while an …

Cooperative Hunting Method For Multiple Usvs Based On Improved Maddpg, Yonghao Zhang, Changyou Xue, Xueman Fan, Zhuo Cheng

Journal of System Simulation

Abstract: A cooperative hunting method based on improved multi-agent deep deterministic policy gradient (MADDPG) is proposed to address the challenges of non-stationary environments, sparse rewards, and partial observations in the cooperative hunting of targets with unknown motion patterns by multiple unmanned surface vessels (USVs). A Markov game model for hunting is built, and a multidimensional guided reward shaping function incorporating collision avoidance, hunting success, and energy consumption penalties is designed to mitigate the sparse reward problem. ResNet residual networks are introduced to construct the Actor and Critic networks and thus enhance the representation capability of deep networks for complex state-action …

Five-Axis Multi-Station Process Planning Based On Multi-Task Graph Reinforcement Learning, Junjie Liu, Jianlei Xu, Litao Ju, Yanhai Hu, Qinghao Zhang, Qiang Liu

Journal of System Simulation

Abstract: A hierarchical intelligent planning architecture integrating multi-task graph and masked proximal policy optimization (MTG-MPPO) is proposed to address the challenges of factorial expansion of the state space and multi-objective interference in five-axis multi-feature machining. An attributed adjacency graph integrating boundary representation and machining direction vectors is constructed. Probabilistic soft labels are output through a multi-task network to quantify process flexibility and thus achieve prior topological pruning of solution space. An MDP model integrating directed acyclic graph masks and dense reward shaping is built. A Monte Carlo (MC) optimization mechanism based on policy distribution is introduced to coordinate cutting, tool-changing, …

Dynamic Multi-Objective Optimization Algorithm Based On Residual-Driven Two-Stage Prediction And Its Application, Xin Zhang, Han Wang, Pengjiang Qian, Wei Fang

Journal of System Simulation

Abstract: A dynamic multi-objective optimization algorithm based on residual-driven two-stage prediction (RDTP) is proposed to address the dilemma of prediction strategies in dynamic multi-objective optimization struggling with insufficient samples in the early stage and low accuracy in the later stage. In the initial stage, if an environmental change is detected, grey prediction, which is fast and suitable for small samples, is employed to generate individuals for the new environment. A residual analysis is performed to determine whether to switch to a LSSVM to improve prediction accuracy as more samples become available. The Pareto front is clustered to select detection objects. …

Optimization Of Mobile Power Resource Allocation And Scheduling For Multi-Point Emergency Response, Ding Ma, Tao Zhang, Bo Jiang, Yajie Liu, Shuijia Li

Journal of System Simulation

Abstract: In extreme event scenarios, urban mobile power resources (MPRs) suffer from uneven spatial distribution and capacity mismatch during emergency scheduling. To achieve globally rational allocation and improve resource configuration and power supply guarantee, a two-stage decision-making method for MPR allocation and scheduling is proposed for multi-point emergency power demands. First, the characteristics of MPRs and travel energy consumption are modeled. In the first stage, an allocation model considering demand satisfaction, capacity matching, and dispatch time is established to solve the macro-level matching problem between MPRs and demand points. In the second stage, an interface scheduling model is constructed based …

Coordinated Optimization Of Heterogeneous Fleet Configuration And Multimodal Routing For Industrial Clusters, Renxin Xiao, Yifan Xu, Guisheng Chen, Nan Pan

Journal of System Simulation

Abstract: A two-level optimization model integrating heterogeneous electric vehicle fleet configuration with multimodal path coordination is built to address the challenges in industrial cluster freight transportation involving electric heterogeneous fleet scheduling, such as diverse tasks and stringent constraints on energy consumption and delivery timeliness. Considering the performance coupling characteristics of heterogeneous electric fleets in terms of load-energy consumption-endurance, based on the coordination of multimodal paths and fleet configuration coding, the upper level employs the GWO to optimize task splitting and fleet configuration. The lower level adopts a multi-neighborhood SA algorithm to achieve path coordination scheduling. Simulation results show that the …

Simulation Study On Circular-Track Rgv Scheduling Based On Railway Operating Rules, Hualan Wang, Li Wang, Zhongning Fu

Journal of System Simulation

Abstract: To address the limitations of circular RGV systems under high-density operating conditions, including a simple operational structure and limited parallel operation capability, this study investigates track structures and dispatching mechanisms for complex operational requirements. Based on the agent-based modeling method implemented on the AnyLogic platform, a simulation model of an RGV system with a nested circular track layout was developed, in which an embedded sub-loop equipped with track-switching devices is introduced into the traditional circular track structure. Operating and dispatching rules suitable for the nested circular structure are designed by incorporating the concepts of section operation and overtaking in …

Air Defense Resource Allocation And Reconstruction Method Based On Kggom, Jiaoxiong Chen, Chenglong Zhang, Yuqiang Zhao, Xianglin Li, Qiang Zhao

Journal of System Simulation

Abstract: To address the challenge that traditional solving methods cannot meet real-time requirements in the intelligent allocation and reconstruction of air defense operation resources, this paper focuses on an intelligent solving method for the dynamic allocation and reconstruction of intercept timing sensor-weapon-target. A multi-constraint model is established with damage effectiveness and operation cost as optimization objectives, and a knowledge-guided genetic optimization method (KGGOM) is proposed. Through knowledge-guided population generation and evolution, constraint-aware operators with correction mechanisms, and multi-path search combined with simulated annealing for gene correction, it improves its optimization capability and speed. Historical superior solution retention and dynamic elite …

Hybrid Jaya-Transformer-Based Task Scheduling Algorithm For Super-Agile Satellites, Haoyu Zhao, Guanghui Zhang, Lanting Hao, Meijia Guo

Journal of System Simulation

Abstract: Super-agile satellite task scheduling is characterized by complex constraints and tight coupling among task transitions. To address the relatively long online solution times of traditional heuristic algorithms, this paper establishes a super-agile satellite task scheduling model that aims to maximize the task profit ratio while considering constraints on visible time windows, attitude transition time, energy, and storage capacity. A Transformer is used to learn task requirements, visible time windows, and global correlations among tasks, and a dynamic mask and a task scheduler are incorporated to generate feasible task sequences. To enhance the model's ability to learn complex task correlations …

Aerial Refueling Scheduling Plan Generation Method For Multi-Position Task Management *, Jiachen Hu, Huanyu Li

Journal of System Simulation

Abstract: An aerial refueling scheduling plan generation method based on hierarchical hybrid strategy is proposed to address the high complexity of aerial refueling scheduling for multi-position tasks and the difficulty for traditional manual operations or single-position-oriented solutions to manage tasks effectively. A multi-level strategic framework based on fixed-rule heuristics, rolling horizon optimization, and steady-state cyclic scheduling is developed and integrated into a hierarchical hybrid strategy to balance scheduling efficiency, optimization capability, and emergency response capability. Simulation results demonstrate that the proposed method effectively generates feasible refueling scheduling plans, producing viable plans under both undisturbed rotational operations and disturbed dynamic support …

Flight Test Mission Planning Method Based On Adaptive Large Neighborhood Search, Luofu Wu, Xinyang Wu, Lunhao Ju, Guopeng Song, Rui Wang, Jiang Jiang

Journal of System Simulation

Abstract: Flight test mission planning is critical to aircraft performance evaluation, but traditional manual methods often struggle with extensive solution spaces and complex constraints. This paper constructs an overall flight test mission planning model and introduces a flight test planning algorithm (FTPA) based on adaptive large neighborhood search. FTPA utilizes Kahn topological sorting to generate an initial test-item priority sequence, which is then decoded into an initial solution, and jointly schedules flight test items and test aircraft within the adaptive large neighborhood search framework. A comparison with the CPLEX solver shows that the FTPA algorithm yields solutions with a gap …

Large Language Model-Assisted Control Framework For Mixed Remote Sensing Satellite Constellations, Guohua Wu, Ziyan You, Lei Li, Yi Gu, Shuanglin Li

Journal of System Simulation

Abstract: A LLM-assisted control framework for mixed remote sensing satellite constellations is proposed to address the problem that the control and scheduling of mixed remote sensing satellite constellations cannot process users' raw natural language observation requirements and realize full-process automation from requirement input to scheduling schemes. LLMs are utilized to enhance the construction of domain knowledge graphs, requirement understanding and task characterization, and realize intelligent generation of scheduling schemes and optimal solution of scheduling models. A scheduling scheme generation method based on the "planning and execution" dual-Agent architecture is designed. Combined with the constellation scheduling toolset, the capability boundary of …

On-Orbit Refueling Mission Planning Of Satellites Based On Improved Nsga-Ii, Guozheng Li, Rui Wang, Yi Lu

Journal of System Simulation

Abstract: An improved NSGA-II solution framework based on multi-tree encoding is proposed to address the problems of high modeling complexity under large-scale scenarios and the tendency of traditional algorithms to fall into local optima. Based on multi-tree modeling, the complex mixed-integer programming problem is transformed into a multi-tree configuration optimization problem, thus reducing the constraint handling difficulty and improving the search efficiency of the solution space. Multi-tree crossover and mutation operators as well as the calculation method for objective functions are designed. A large neighborhood search (LNS) strategy is introduced, and the global exploration and local exploitation capabilities of the …

High-Fidelity Dynamic Digital Twin Modeling Method For Permanent Magnet Synchronous Motor, He Lai, Jinquan Yang, Cong Peng, Bei Li

Journal of System Simulation

Abstract: Conventional mechanism models often suffer from model mismatch due to the absence of nonlinear mechanical damping representation and the dynamic drift of electromagnetic parameters. To address this issue, a high-fidelity dynamic digital twin modeling method for permanent magnet synchronous motors is proposed. In the static mechanism modeling dimension, a friction energy decoupling strategy is proposed, which fundamentally overcomes the inherent conflict between steady-state accuracy and transient response from a physical logic perspective. For dynamic model updating, a distributed cascaded sensing architecture based on the multi-innovation recursive least squares and extended Kalman filter (MIRLS-MIEKF) algorithms is proposed. This architecture enables …

Scheduling Optimization For Cascaded Hybrid Flow Shop Integrating Llm And Rl, Fuqing Zhao, Bin Wu, Tianpeng Xu, Ningning Zhu, Houbin Song, Yukai Yao

Journal of System Simulation

Abstract: For the cascaded hybrid flow shop scheduling problem with AGV transportation, a multiobjective optimization model is built to minimize the makespan and total energy consumption. A hybrid algorithm framework integrating the LLM, covariance matrix adaptation evolution strategy, and RL strategy selection mechanism is proposed. LLMs are employed to generate heuristic priority rules and construct high-quality initial solutions. Covariance matrix adaption evolution strategy is adopted to optimize the search in continuous priority space, and an enhanced scalar fitness function integrating hypervolume gain and solution diversity is introduced. An RL strategy selection module based on the upper level information boundary is …

Q-Learning Enhanced Memetic Algorithm For Robust Scheduling Of Space Launch Missions, Rui Lin, Xiaolu Liu, Yonghao Du, Mingyang Geng, Zhenshun Shi

Journal of System Simulation

Abstract: A robust optimization mathematical model and an enhanced memetic algorithm (MA) for space launch mission scheduling are proposed to address the practical challenges in space launch mission scheduling under the influence of multiple uncertainties such as equipment failure, process rework due to quality issues, and technological changes. A robust optimization scheduling model for space launch missions is built by integrating the makespan under the worst-case scenario, the average maximum makespan, and the average deviation of process start times. A Q-learning enhanced memetic algorithm (QMA) is proposed, which can dynamically select parent solutions based on the population state. Simulation experiments …

A Macroergonomic Analysis Of Autonomous Robotic Construction For Affordable Housing, Ricardo Leon Jimenez

Sustainability Conference

As communities seek to increase housing supply, the construction sector continues to grapple with rising costs, skilled labor shortages, and growing pressure to improve environmental sustainability. Meeting these demands will require new approaches that increase productivity while lowering environmental impact throughout the building lifecycle. Recent advances in autonomous systems developed for space exploration offer alternative ways to design, assemble, and maintain residential buildings. This study examines the potential application of NASA's Automated Reconfigurable Mission Adaptive Digital Assembly Systems (ARMADAS) technology from space construction to terrestrial affordable housing construction.

While most construction automation research focuses on technical performance, this study considers …

Influence Of Particle Properties And Grain Size On Aggregation In Dry Particle-Laden Volcanic Jets, Md Miraz Hossain, Stephen A. Solovitz, Josef Dufek, Joshua S. Mendez Harper, Alexa R. Van Eaton, Mary C. Benage, Larry G. Mastin, Benjamin J. Andrews

Electrical and Computer Engineering Faculty Publications and Presentations

Explosive volcanic eruptions can inject large amounts of ash into the atmosphere. These suspended particles pose hazards to aircraft, so a better understanding of the ash residence time and transport distance is needed. Fine particles combine to form larger aggregates, altering their settling behavior. Ash aggregation is influenced by liquid bonding, electrostatic forces, and preferential concentration driven by turbulence. We examine particle aggregation through controlled, low-humidity experiments at similar particle-fluid scaling to conditions near a volcanic vent. Particle-laden jets used compressed air containing three types of particles at controlled mass loadings: hollow glass spheres (∼10 μm diameter), solid nickel spheres …

Beyond Probability: An Analytical Exploration Of Fuzzy And Neutrosophic Paradigms In Binomial Acceptance Sampling, Uma G, Vela Muruga Anurahini P

Neutrosophic Systems with Applications

Acceptance sampling plans are widely used in Statistical Quality Control to determine the acceptance or rejection of production lots based on sample inspection. Classical sampling plans under the binomial distribution assume precise parameter values, which may not adequately represent uncertainty, vagueness, and indeterminacy encountered in practical inspection environments. This review summarizes acceptance probability formulations for single and double sampling plans developed using fuzzy and neutrosophic logic under the binomial distribution. The focus is on studies that model the fraction defective and related parameters as fuzzy or neutrosophic numbers, allowing imprecise and indeterminate quality information to be incorporated into sampling decisions. …

Reliability-Calibrated Q-Rung Orthopair Neutrosophic Soft Ranking Under Partial Observability: An Auditable Industrial-Process Benchmark, Nagham Ahmed Abdelmegeed, Zeshan Aslam Khan

Neutrosophic Systems with Applications

Multi-criteria decision systems often interpret disagreement among criteria as evidence that some criteria are unreliable. This is problematic when the disagreement reflects a genuine operational trade-off. We develop a reliability-and-admissibility-calibrated q-rung orthopair neutrosophic soft ranking procedure (RAC-qRON) that distinguishes recorded evidence quality from the direction of criterion preferences. An explicitly bounded interval for each alternative–criterion observation is mapped to truth, indeterminacy and falsity memberships, with an admissibility proof for every integer rung q ≥ 1. Criterion weights are adjusted according to recorded information coverage rather than cross-criterion correlation, and a fixed-reference ideal-distance calculation produces an auditable rank. The method is …

Risk Prioritization Of ``Digital Drug'' And Consumer Neurostimulation Modalities: A Reproducible Interval-Valued Fermatean Fuzzy Entropy–Topsis Framework, Rawan Emad El-Saadany, Ahmed Samy, Mohamed M. Abdelhafeez, Mahmoud M. Ismail

Neutrosophic Systems with Applications

Consumer audio and multisensory stimulation technologies are increasingly accessible through streaming platforms, mobile applications, and immersive media. The expression digital drug is sometimes used for binaural-beat content intended to alter subjective states, but the term is a consumer/cultural label and does not imply pharmacological equivalence. Risk prioritization in this area is difficult because evidence is heterogeneous, several relevant criteria are qualitative, and judgments may be imprecise rather than point-valued. This paper develops a transparent interval-valued Fermatean fuzzy (IVFF) group decision framework that combines interval-preserving aggregation, Shannon entropy weighting, and TOPSIS for prioritizing digital drug risk scenarios under uncertainty. The method …

Risk-Based Cybersecurity Threat Prioritization In Digital Twin-Enabled Cyber-Physical Systems, Nada Mohamed, Alshaimaa A. Tantawy, Ahmed M. Abdelmouty

Neutrosophic Systems with Applications

Digital Twin (DT)-enabled cyber-physical systems (CPS) face cybersecurity risks due to their complex connections and high levels of interdependence. Traditional methods, for assessing risk often fail to rank these threats. This is especially true when expert opinions include ambiguity, uncertainty or unclear information. A Type 2 Neutrosophic Entropy– Measurement of Alternatives and Ranking according to COmpromise Solution (Entropy- MARCOS) framework for cybersecurity threat prioritization in DT-enabled CPS is proposed in this paper. The uncertainty and indeterminacy present in expert evaluations are represented by Type 2 Neutrosophic Numbers (T2NNs). While the MARCOS technique is used to assess and rank cybersecurity threats …

Context-Regulated Q-Neutrosophic Soft Model Selection Under Input Perturbation: Evidence From Three Classification Benchmarks, Poom Kumam, Supak Phiangsungnoen

Neutrosophic Systems with Applications

Selecting a classifier using a single average metric can conceal instability across validation splits, poor lower-tail behavior, and sensitivity to input perturbations. This study formulates a context-regulated Q-neutrosophic soft model-selection procedure with two fixed evaluation conditions. For each classifier and performance criterion, mean attainment (truth), across-split dispersion (indeterminacy), and the complement of a lower empirical quantile (falsity) form an auditable three-component descriptor. A bounded lower-context regulator aggregates their penalized utilities; monotonicity and perturbation bounds follow directly from its convex representation. Four fixed classifiers are compared using five benefit-oriented criteria, three repetitions of stratified five-fold cross-validation, and paired test-feature perturbations. Three …