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arXiv2025

Double-Edge-Assisted Computation Offloading and Resource Allocation for Space-Air-Marine Integrated Networks

In this paper, we propose a double-edge-assisted computation offloading and resource allocation scheme tailored for space-air-marine integrated networks (SAMINs). Specifically, we consider a scenario where both unmanned aerial vehicles (UAVs) and a low earth orbit (LEO) satellite are equipped with edge servers, providing computing services for maritime autonomous surface ships (MASSs). Partial computation workloads of MASSs can be offloaded to both UAVs and the LEO satellite, concurrently, for processing via a multi-access approach. To minimize the energy consumption of SAMINs under latency constraints, we formulate an optimization problem and propose energy efficient algorithms to jointly optimize offloading mode, offloading volume, and computing resource allocation of the LEO satellite and the UAVs, respectively. We further exploit an alternating optimization (AO) method and a layered approach to decompose the original problem to attain the optimal solutions. Finally, we conduct simulations to validate the effectiveness and efficiency of the proposed scheme in comparison with benchmark algorithms.

cs.DC↗

arXiv2025

Concept-Driven Deep Learning for Enhanced Protein-Specific Molecular Generation

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations: those operating at the atomic level often lack synthetic feasibility, drug-likeness, and interpretability, while fragment-based approaches frequently overlook comprehensive factors that influence protein-molecule interactions. To address these challenges, we propose a novel fragment-based molecular generation framework tailored for specific proteins. Our method begins by constructing a protein subpocket and molecular arm concept-based neural network, which systematically integrates interaction force information and geometric complementarity to sample molecular arms for specific protein subpockets. Subsequently, we introduce a diffusion model to generate molecular backbones that connect these arms, ensuring structural integrity and chemical diversity. Our approach significantly improves synthetic feasibility and binding affinity, with a 4% increase in drug-likeness and a 6% improvement in synthetic feasibility. Furthermore, by integrating explicit interaction data through a concept-based model, our framework enhances interpretability, offering valuable insights into the molecular design process.

cs.LG↗