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 Optimization


A Fair OR-ML Framework for Resource Substitution in Large-Scale Networks

arXiv.org Artificial Intelligence

Ensuring that the right resource is available at the right location and time remains a major challenge for organizations operating large-scale logistics networks. The challenge comes from uneven demand patterns and the resulting asymmetric flow of resources across the arcs, which create persistent imbalances at the network nodes. Resource substitution among multiple, potentially composite and interchangeable, resource types is a cost-effective way to mitigate these imbalances. This leads to the resource substitution problem, which aims at determining the minimum number of resource substitutions from an initial assignment to minimize the overall network imbalance. In decentralized settings, achieving globally coordinated solutions becomes even more difficult. When substitution entails costs, effective prescriptions must also incorporate fairness and account for the individual preferences of schedulers. This paper presents a generic framework that combines operations research (OR) and machine learning (ML) to enable fair resource substitution in large networks. The OR component models and solves the resource substitution problem under a fairness lens. The ML component leverages historical data to learn schedulers' preferences, guide intelligent exploration of the decision space, and enhance computational efficiency by dynamically selecting the top-$ฮบ$ resources for each arc in the network. The framework produces a portfolio of high-quality solutions from which schedulers can select satisfactory trade-offs. The proposed framework is applied to the network of one of the largest package delivery companies in the world, which serves as the primary motivation for this research. Computational results demonstrate substantial improvements over state-of-the-art methods, including an 80% reduction in model size and a 90% decrease in execution time while preserving optimality.


Anti-Jamming based on Null-Steering Antennas and Intelligent UAV Swarm Behavior

arXiv.org Artificial Intelligence

Unmanned Aerial Vehicle (UAV) swarms represent a key advancement in autonomous systems, enabling coordinated missions through inter-UAV communication. However, their reliance on wireless links makes them vulnerable to jamming, which can disrupt coordination and mission success. This work investigates whether a UAV swarm can effectively overcome jamming while maintaining communication and mission efficiency. To address this, a unified optimization framework combining Genetic Algorithms (GA), Supervised Learning (SL), and Reinforcement Learning (RL) is proposed. The mission model, structured into epochs and timeslots, allows dynamic path planning, antenna orientation, and swarm formation while progressively enforcing collision rules. Null-steering antennas enhance resilience by directing antenna nulls toward interference sources. Results show that the GA achieved stable, collision-free trajectories but with high computational cost. SL models replicated GA-based configurations but struggled to generalize under dynamic or constrained settings. RL, trained via Proximal Policy Optimization (PPO), demonstrated adaptability and real-time decision-making with consistent communication and lower computational demand. Additionally, the Adaptive Movement Model generalized UAV motion to arbitrary directions through a rotation-based mechanism, validating the scalability of the proposed system. Overall, UAV swarms equipped with null-steering antennas and guided by intelligent optimization algorithms effectively mitigate jamming while maintaining communication stability, formation cohesion, and collision safety. The proposed framework establishes a unified, flexible, and reproducible basis for future research on resilient swarm communication systems.


Escaping Optimization Stagnation: Taking Steps Beyond Task Arithmetic via Difference Vectors

arXiv.org Artificial Intelligence

Current methods for editing pre-trained models face significant challenges, primarily high computational costs and limited scalability. Task arithmetic has recently emerged as a promising solution, using simple arithmetic operations--addition and negation--based on task vectors which are the differences between fine-tuned and pre-trained model weights, to efficiently modify model behavior. However, the full potential of task arithmetic remains underexplored, primarily due to limited mechanisms for overcoming optimization stagnation. To address this challenge, we introduce the notion of difference vector, a generalized form of task vectors derived from the historical movements during optimization. Using difference vectors as directed perturbations, we propose the Difference V ector-based Anisotropic Scaling Iterative algorithm (DV -BASI) to enable a continuous optimization process for task arithmetic methods without relying on any additional modules or components. Notably, by leveraging escapability and directional advantages of difference vectors, the average performance on different tasks of the multi-task model merged by DV -BASI may even outperform models individually fine-tuned. Based on this observation, we extend the application of difference vectors to a feasible fine-tuning method for single-task models. On the practical side, DV -BASI allows expressive searching directions with few learnable parameters and forms a scalable framework. We also integrate DV -BASI with task arithmetic methods and advanced optimization techniques to achieve state-of-the-art performance on both supervised and unsupervised evaluation protocols.


A Reinforcement Learning Framework for Resource Allocation in Uplink Carrier Aggregation in the Presence of Self Interference

arXiv.org Artificial Intelligence

Carrier aggregation (CA) is a technique that allows mobile networks to combine multiple carriers to increase user data rate. On the uplink, for power constrained users, this translates to the need for an efficient resource allocation scheme, where each user distributes its available power among its assigned uplink carriers. Choosing a good set of carriers and allocating appropriate power on the carriers is important. If the carrier allocation on the uplink is such that a harmonic of a user's uplink carrier falls on the downlink frequency of that user, it leads to a self coupling-induced sensitivity degradation of that user's downlink receiver. In this paper, we model the uplink carrier aggregation problem as an optimal resource allocation problem with the associated constraints of non-linearities induced self interference (SI). This involves optimization over a discrete variable (which carriers need to be turned on) and a continuous variable (what power needs to be allocated on the selected carriers) in dynamic environments, a problem which is hard to solve using traditional methods owing to the mixed nature of the optimization variables and the additional need to consider the SI constraint. We adopt a reinforcement learning (RL) framework involving a compound-action actor-critic (CA2C) algorithm for the uplink carrier aggregation problem. We propose a novel reward function that is critical for enabling the proposed CA2C algorithm to efficiently handle SI. The CA2C algorithm along with the proposed reward function learns to assign and activate suitable carriers in an online fashion. Numerical results demonstrate that the proposed RL based scheme is able to achieve higher sum throughputs compared to naive schemes. The results also demonstrate that the proposed reward function allows the CA2C algorithm to adapt the optimization both in the presence and absence of SI.


Efficient Dynamic and Momentum Aperture Optimization for Lattice Design Using Multipoint Bayesian Algorithm Execution

arXiv.org Artificial Intelligence

University of Southern California, Los Angeles, CA 90089 (Dated: November 25, 2025) We demonstrate that multipoint Bayesian algorithm execution can overcome fundamental computational challenges in storage ring design optimization. Dynamic (DA) and momentum (MA) optimization is a multipoint, multiobjective design task for storage rings, ultimately informing the flux of x-ray sources and luminosity of colliders. We remove this bottleneck using multipointBAX, which selects, simulates, and models each trial configuration at the single particle level. We demonstrate our approach on a novel design for a fourth-generation light source, with neural-network powered multipointBAX achieving equivalent Pareto front results using more than two orders of magnitude fewer tracking computations compared to genetic algorithms. The significant reduction in cost positions multipointBAX as a promising alternative to black-box optimization, and we anticipate multipointBAX will be instrumental in the design of future light sources, colliders, and large-scale scientific facilities. Designing modern scientific facilities -- from synchrotron light sources to particle colliders -- requires optimizing hundreds of parameters in a complex, nonlinear systems, where a single design evaluation can take hours of computation. In storage rings, this challenge is exemplified by dynamic aperture (DA) and momentum aperture (MA) optimization, where maximizing the regions of particle stability directly determines injection efficiency, beam lifetime, and ultimately the photon flux or luminosity achievable in next-generation facilities. The computational bottleneck is severe: maximizing DA and MA is a type of multipoint optimization, where evaluating a single lattice design requires tracking tens of thousands of particles for hundreds of thousands of turns, making global optimization prohibitively expensive. Moreover, there is a trade-off between maximizing DA and MA area, so the standard approach is to find a Pareto front; i.e.


A segment anchoring-based balancing algorithm for agricultural multi-robot task allocation with energy constraints

arXiv.org Artificial Intelligence

Multi-robot systems have emerged as a key technology for addressing the efficiency and cost challenges in labor-intensive industries. In the representative scenario of smart farming, planning efficient harvesting schedules for a fleet of electric robots presents a highly challenging frontier problem. The complexity arises not only from the need to find Pareto-optimal solutions for the conflicting objectives of makespan and transportation cost, but also from the necessity to simultaneously manage payload constraints and finite battery capacity. When robot loads are dynamically updated during planned multi-trip operations, a mandatory recharge triggered by energy constraints introduces an unscheduled load reset. This interaction creates a complex cascading effect that disrupts the entire schedule and renders traditional optimization methods ineffective. To address this challenge, this paper proposes the segment anchoring-based balancing algorithm (SABA). The core of SABA lies in the organic combination of two synergistic mechanisms: the sequential anchoring and balancing mechanism, which leverages charging decisions as `anchors' to systematically reconstruct disrupted routes, while the proportional splitting-based rebalancing mechanism is responsible for the fine-grained balancing and tuning of the final solutions' makespans. Extensive comparative experiments, conducted on a real-world case study and a suite of benchmark instances, demonstrate that SABA comprehensively outperforms 6 state-of-the-art algorithms in terms of both solution convergence and diversity. This research provides a novel theoretical perspective and an effective solution for the multi-robot task allocation problem under energy constraints.


Simultaneous Localization and 3D-Semi Dense Mapping for Micro Drones Using Monocular Camera and Inertial Sensors

arXiv.org Artificial Intelligence

Monocular simultaneous localization and mapping (SLAM) algorithms estimate drone poses and build a 3D map using a single camera. Current algorithms include sparse methods that lack detailed geometry, while learning-driven approaches produce dense maps but are computationally intensive. Monocular SLAM also faces scale ambiguities, which affect its accuracy. To address these challenges, we propose an edge-aware lightweight monocular SLAM system combining sparse keypoint-based pose estimation with dense edge reconstruction. Our method employs deep learning-based depth prediction and edge detection, followed by optimization to refine keypoints and edges for geometric consistency, without relying on global loop closure or heavy neural computations. We fuse inertial data with vision by using an extended Kalman filter to resolve scale ambiguity and improve accuracy. The system operates in real time on low-power platforms, as demonstrated on a DJI Tello drone with a monocular camera and inertial sensors. In addition, we demonstrate robust autonomous navigation and obstacle avoidance in indoor corridors and on the TUM RGBD dataset. Our approach offers an effective, practical solution to real-time mapping and navigation in resource-constrained environments.


Gradient-based grand canonical optimization enabled by graph neural networks with fractional atomic existence

arXiv.org Artificial Intelligence

Machine learning interatomic potentials have become an indispensable tool for materials science, enabling the study of larger systems and longer timescales. State-of-the-art models are generally graph neural networks that employ message passing to iteratively update atomic embeddings that are ultimately used for predicting properties. In this work we extend the message passing formalism with the inclusion of a continuous variable that accounts for fractional atomic existence. This allows us to calculate the gradient of the Gibbs free energy with respect to both the Cartesian coordinates of atoms and their existence. Using this we propose a gradient-based grand canonical optimization method and document its capabilities for a Cu(110) surface oxide.


A Target-based Multi-LiDAR Multi-Camera Extrinsic Calibration System

arXiv.org Artificial Intelligence

Extrinsic Calibration represents the cornerstone of autonomous driving. Its accuracy plays a crucial role in the perception pipeline, as any errors can have implications for the safety of the vehicle. Modern sensor systems collect different types of data from the environment, making it harder to align the data. To this end, we propose a target-based extrinsic calibration system tailored for a multi-LiDAR and multi-camera sensor suite. This system enables cross-calibration between LiDARs and cameras with limited prior knowledge using a custom ChArUco board and a tailored nonlinear optimization method. We test the system with real-world data gathered in a warehouse. Results demonstrated the effectiveness of the proposed method, highlighting the feasibility of a unique pipeline tailored for various types of sensors.


SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation

arXiv.org Artificial Intelligence

The disconnect between AI-generated molecules with desirable properties and their synthetic feasibility remains a critical bottleneck in computational discovery of drugs and materials. While generative AI has accelerated the proposal of candidate molecules, many of these structures prove challenging or impossible to synthesize using established chemical reactions. Here, we introduce SynTwins, a novel retrosynthesis-guided molecule design framework that finds synthetically accessible molecular analogs by emulating expert chemists' strategies in three steps: retrosynthesis, searching similar building blocks, and virtual synthesis. Using a search algorithm instead of a stochastic data-driven generator, SynTwins outperforms state-of-the-art machine learning models at exploring synthetically accessible analogs while maintaining high structural similarity to original target molecules. Furthermore, when integrated into existing molecular property-optimization frameworks, our hybrid approach produces synthetically feasible analogs with minimal loss in property scores. Our comprehensive benchmarking across diverse molecular datasets demonstrates that SynTwins effectively bridges the gap between computational design and experimental synthesis, providing a practical solution for accelerating the discovery of synthesizable molecules with desired properties for a wide range of applications.