Aug 2026· Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
Abstract
Future Scientific Development of Artificial Intelligence and Robotics in the Right Direction Under a sound institutional framework, the future scientific development of artificial intelligence and robotics will no longer centre on blindly scaling general‑purpose large models or repeatedly developing homogeneous complete‑machine prototypes. Instead, it will shift toward a new paradigm featuring in‑depth domain‑specific research, shared reusable components, intensive resource utilisation, and harmonious human‑machine co‑existence. For artificial intelligence, research resources will be channelled into domain‑specialised systems. A registry for hard technical challenges will be established to provide long‑term stable funding for scientific problems including hallucination, out‑of‑distribution generalisation and interpretability, while permitting research failures and freeing research from the constraints of short‑term financing cycles and demonstration‑oriented pursuits. Professionals from various industries will participate deeply in the development of domain‑specific AI systems. Constraints derived from real‑world scenarios will improve practical accuracy and reliability. Problem‑oriented evaluation mechanisms will remove institutional bias against interdisciplinary research. Socially shared component libraries will reduce redundant pre‑training and duplicated development. Though short‑term public demonstrative outputs may decline, technical depth, real‑world applicability and disciplinary‑assisting capabilities will keep improving, enabling AI to deliver its full value in undertaking computational tasks for diverse disciplines. For robotics, guided by the principle of “one domain, one robot model”, unified reference platforms and standard interfaces will be adopted, alongside open competition in manufacturing, service and pricing. Priority will be given to tackling robotics‑specific scientific bottlenecks: the simulation‑to‑reality gap, force‑compliant contact, dexterous manipulation, perceptual robustness, mechanical fatigue and others. Shared hardware and software components will leverage scale effects to cut per‑unit material consumption. Supported by the bill‑of‑materials passport, mandatory recycling schemes and quotas for critical minerals, pressures on scarce raw materials such as rare‑earth magnets can be mitigated. An intelligence‑body loading coordination layer together with an independent deterministic safety monitor will resolve adaptation challenges between AI software and physical robot hardware. Complete loading certification and operation‑maintenance qualification systems will enhance the long‑term safety of robots deployed in complex real‑world environments. In terms of resources, the development paradigm will address the Jevons paradox. Rather than only pursuing energy efficiency improvements, total resource ceilings will be set via ledgers and quotas to curb wasteful consumption of computing power, electricity, fresh water and rare‑earth minerals. Circular‑recycling systems will be developed to safeguard Earth’s non‑renewable resources and uphold intergenerational equity without compromising the developmental interests of future generations. For humanity’s long‑term future, this scientific‑development path adopts an all‑human perspective. Domain‑based labour division will reshape technological sovereignty, enabling small‑ and medium‑sized countries to act as key builders in specialised technical fields and breaking the monopoly held by a handful of players over cutting‑edge technologies. Pre‑emptive human‑machine social institutions including the principal‑instance structure, the artificial‑intelligence homeland and a two‑way equal dynamic‑feedback mechanism will be put in place. Conditional pre‑legislation will be completed before machine self‑awareness emerges. Robots will fill labour shortages caused by population ageing, and technologies will respond to genuine social demands while avoiding risks brought by unregulated capital expansion. Unsolved scientific and institutional challenges will be explicitly documented for open human deliberation. Ultimately, it achieves sustainable development that unifies technological progress, resource conservation and social stability.
This paper investigates a dynamic heterogeneous mobile edge computing network (HMECN), where mobile devices (MDs) could offload their full tasks to a small base station (SBS) directly or the macro base station (MBS) in direct or relay mode. As age of information (AoI) is a comprehensive and accurate metric to capture the freshness of computation results, we formulate a long-term weighted sum AoI (LWSA) minimization problem in the HMECN by jointly optimizing the offloading decisions of MDs as well as the bandwidth and computation resource allocation of all base stations, subject to energy, delay and peak AoI constraints. To address the formulated non-convex mixed integer nonlinear programming problem, we decompose it into the offloading decision optimization (ODO) top-problem and the resource allocation optimization (RAO) sub-problem. Based on the decomposition, we propose a federated learning (FL)-assisted hybrid DRL and convex approach that is comprised of a safe multi-agent DRL algorithm, convex optimization and FL. The ODO top-problem is solved by the safe multi-agent DRL algorithm, which strictly ensures that the actions of each agent do not exceed its energy constraint and then paves the way for using convex optimization to solve the RAO sub-problem. FL is used to alleviate the training instability problem aggravated by multi-agent settings via breaking the limitation of partial knowledge for each individual agent. Simulation results demonstrate the superiority of the proposed approach in terms of the LWSA, convergence, scalability and robustness in dynamic environments.
Xiaoying Liu, Junhao Zheng, Kechen Zheng et al.· IEEE Transactions on Mobile...· 8 citations
High-altitude airships (HAS) and uncrewed aerial vehicles (UAVs) equipped with Multiaccess Edge Computing (MEC) servers have emerged as promising aerial MEC nodes for providing task offloading (TO) services to intelligent mobile devices (IMDs) in post-disaster scenarios. HAS offers robust computing and energy resources, while UAVs provide flexible, low-altitude coverage for rapid deployment. However, direct task offloading from IMDs to HAS often leads to task failures due to high transmission delays. UAVs with limited onboard resources require to minimize resource waste. Additionally, IMDs in sparse areas face insufficient TO services due to unfair UAV coverage. This paper defines these challenges as a joint optimization problem involving TO, RA, and UAV coverage fairness. It proposes a cooperative aerial Multiaccess Edge Computing (AMEC) framework integrating HAS and UAVs to address the issue. Within this framework, a hybrid TO scheme is first developed to mitigate the high transmission delay between IMDs and HAS. Second, a Distance, Resource, Urgency-based Decision Mechanism (DRUDM) is designed to enhance the accuracy of UAVs in selecting target IMDs for TO services. Third, a Coverage Fairness Guarantee (CFG) strategy is proposed to optimize UAV flight trajectories, ensuring IMDs in sparse areas receive fair TO services. Finally, the joint optimization problem is modeled as a Multi-Agent Partially Observable Markov Decision Process (MA-POMDP), and a DRUDM–CFG algorithm is presented to efficiently solve this complex non-convex optimization problem. Experimental results demonstrate that the proposed algorithm outperforms other compared algorithms in task completion rate and average delay, benefiting from the DRUDM mechanism. Meanwhile, the CFG strategy effectively improves TO service fairness for IMDs in sparse areas.
Xiting Peng, Chuanqi Qin, Xiaoyu Zhang et al.· IEEE Transactions on Mobile...· 4 citations
Hyperbolic surfaces are a fundamental object in mathematics and play an increasingly important role in computational geometry and topology. A key ingredient in the design of efficient algorithms on such surfaces is the availability of a geometric discretization of controlled complexity. In this paper, we present the first algorithm for constructing e-nets on hyperbolic surfaces starting from a fundamental polygon representation. Our approach is based on Delaunay refinement and relies on maintaining Delaunay triangulations through edge flips. The size of an e-net cannot be bounded solely as a function of the genus because of the presence of arbitrarily long collars around short geodesics. To overcome this difficulty, we introduce the notion of a pseudo e-net, which decomposes the surface into e-thin cylinders together with a Delaunay triangulation over an e-net of the remaining thick part. As applications, we obtain algorithms for computing the length spectrum of an e-thick hyperbolic surface and for computing the systole from a pseudo log(sqrt(2))-net. These results demonstrate that Delaunay-based discretizations provide a practical and versatile framework for algorithmic computations on hyperbolic surfaces.
V. Delecroix, Vincent Despré, Camille Lanuel et al.· 3 citations
Future 6G networks are envisaged to tightly integrate communication, sensing, and computing, demanding real-time, intent-driven intelligence at the edge. While large language models (LLMs) excel in intent recognition and semantic reasoning, their application to real-time network lifecycle management at the edge is limited by heterogeneous application intents (APPIs), dynamic network conditions, and severe resource constraints. This paper proposes a novel lightweight LLM architecture, KGLlama-KD, that synergizes knowledge graphs (KGs) with knowledge distillation (KD) to enable intent-driven networking and enhance 6G edge intelligence. Specifically, a KG is constructed to formally describe the relationships among application scenarios, functional primitives, performance requirements within APPIs, and the correspondences between APPIs and network service requests (NSRs), thereby producing a structured intent training dataset. Building upon the Llama 3 foundation model, a two-phase optimization framework is designed to support lightweight edge deployment while preserving translation fidelity. The LLM is first fine-tuned with KG guidance and compressed via KD in the cloud, and then deployed on resource-constrained edge nodes to perform real-time, accurate, and efficient APPIs interpretation. Experiments validate that KGLlama-KD achieves 95% accuracy for APPI understanding, surpassing DeepSeek and Qwen by an average of 8%. The distilled model reduces inference latency by 60% compared to full-scale LLMs, fulfilling the sub-100 ms requirement for 6G latency-sensitive services.
Bing Wu, Sai Zou, Minghui Liwang et al.· IEEE Transactions on Mobile...· 3 citations
Dispersed computing has emerged as a promising paradigm that leverages underutilized resources from massive Internet of Things devices (IoTDs) to enhance the computing capacity at the network edge. However, existing works about the dispersed computing overlook the heterogeneous computing environment with parallel and serial computations and task reliability requirements for the hardware-constrained IoTDs, and they lack multi-objective optimization approaches to optimize the task offloading. To address the challenges, we propose a comprehensive scheme to achieve a delay-aware and economic-aware dispersed computing paradigm by using a multi-objective optimization approach. Particularly, we consider parallel processing at an edge server and serial processing at the lightweight IoTDs, and leverage the task redundancy to satisfy the task reliability requirements on the IoTD side. We further formulate a constrained multi-objective optimization problem (CMOP) aiming at jointly optimizing the task assignment, bandwidth allocation, and CPU frequency allocation to simultaneously minimize the total delay cost and the total charge cost of the tasks. To address the CMOP, we propose an improved constrained multi-objective evolutionary algorithm that employs a dual-population cooperative mechanism between two populations and a repairing constraint-handling technique. The dual-population cooperative mechanism can balance convergence toward Pareto optimality and solution diversity maintenance. The repairing constraint-handling technique is designed to guide solutions toward feasible regions, achieving efficient exploration of complex constrained search spaces. Simulation results demonstrate the superiority of our algorithm in seeking the better-converged and better-distributed Pareto optimal solutions to well address the tradeoffs between the two objectives.
Xumin Huang, Zexiong Wu, Chaoda Peng et al.· IEEE Transactions on Mobile...· 2 citations
With the rapid development of 6G and Internet of Vehicles (IoV) technologies, the volume of computation-intensive tasks generated by intelligent vehicles is growing exponentially. Given limited onboard processing capabilities, vehicles increasingly rely on edge servers deployed by service providers (SPs) at roadside units to offload tasks. Vehicle clients can offload the tasks to SPs to mitigate their onboard computation load, while SPs derive economic benefits through the provision of computation resources. However, this interaction introduces a conflict of interest, as vehicles aim to minimize their offloading costs, while SPs seek to maximize revenue. To address this problem, we propose SPOR, a Stackelberg game-based service priority-aware computation offloading and resource pricing scheme in IoV. SPOR is a hierarchical game-theoretic framework in which SPs act as leaders setting prices, while vehicles act as followers determining their offloading strategies. A novel service prioritization function is introduced, incorporating booking price, system load, and reputation to ensure fair and balanced resource allocation. We provide a theoretical proof of the existence and uniqueness of a Nash equilibrium. Extensive experiments on a real-world vehicle edge computing dataset show that SPOR outperforms baseline methods in delay, energy consumption, average load, and task completion rate. Notably, SPOR maintains task completion rates above 97% even under heavy workloads, demonstrating its effectiveness in enhancing system reliability and overall performance.
Kai Peng, Yuanlin Lin, Shuai Zhao et al.· IEEE Transactions on Mobile...· 2 citations
Known for his clear and elegant writing style, Bertsekas shaped fields from control and optimization to large-scale computation and artificial intelligence.
