Graph Bayesian optimization (BO) has shown potential as a powerful and data-efficient tool for neural architecture search (NAS). Most existing graph BO works focus on developing graph surrogates models, i.e., metrics of networks and/or different kernels to quantify the similarity between networks. However, the acquisition optimization, as a discrete optimization task over graph structures, is not well studied due to the complexity of formulating the graph search space and acquisition functions. This paper presents explicit optimization formulations for graph input space including properties such as reachability and shortest paths, which are used later to formulate graph kernels and the acquisition function. We theoretically prove that the proposed encoding is an equivalent representation of the graph space and provide restrictions for the NAS domain with either node or edge labels. Numerical results over several NAS benchmarks show that our method efficiently finds the optimal architecture for most cases, highlighting its efficacy.

This paper explores second-order optimization methods in Federated Learning (FL), addressing the critical challenges of slow convergence and the excessive communication rounds required to achieve optimal performance from the global model. While existing surveys in FL primarily focus on challenges related to statistical and device label heterogeneity, as well as privacy and security concerns in first-order FL methods, less attention has been given to the issue of slow model training. This slow training often leads to the need for excessive communication rounds or increased communication costs, particularly when data across clients are highly heterogeneous. In this paper, we examine various FL methods that leverage second-order optimization to accelerate the training process. We provide a comprehensive categorization of state-of-the-art second-order FL methods and compare their performance based on convergence speed, computational cost, memory usage, transmission overhead, and generalization of the global model. Our findings show the potential of incorporating Hessian curvature through second-order optimization into FL and highlight key challenges, such as the efficient utilization of Hessian and its inverse in FL. This work lays the groundwork for future research aimed at developing scalable and efficient federated optimization methods for improving the training of the global model in FL.

The rapid growth of e-commerce and the increasing demand for timely, cost-effective last-mile delivery have increased interest in collaborative logistics. This research introduces a novel collaborative synchronized multi-platform vehicle routing problem with drones and robots (VRP-DR), where a fleet of $\mathcal{M}$ trucks, $\mathcal{N}$ drones and $\mathcal{K}$ robots, cooperatively delivers parcels. Trucks serve as mobile platforms, enabling the launching, retrieving, and en-route charging of drones and robots, thereby addressing critical limitations such as restricted payload capacities, limited range, and battery constraints. The VRP-DR incorporates five realistic features: (1) multi-visit service per trip, (2) multi-trip operations, (3) flexible docking, allowing returns to the same or different trucks (4) cyclic and acyclic operations, enabling return to the same or different nodes; and (5) en-route charging, enabling drones and robots to recharge while being transported on the truck, maximizing operational efficiency by utilizing idle transit time. The VRP-DR is formulated as a mixed-integer linear program (MILP) to minimize both operational costs and makespan. To overcome the computational challenges of solving large-scale instances, a scalable heuristic algorithm, FINDER (Flexible INtegrated Delivery with Energy Recharge), is developed, to provide efficient, near-optimal solutions. Numerical experiments across various instance sizes evaluate the performance of the MILP and heuristic approaches in terms of solution quality and computation time. The results demonstrate significant time savings of the combined delivery mode over the truck-only mode and substantial cost reductions from enabling multi-visits. The study also provides insights into the effects of en-route charging, docking flexibility, drone count, speed, and payload capacity on system performance.

In China's competitive fresh e-commerce market, optimizing operational strategies, especially inventory management in front-end warehouses, is key to enhance customer satisfaction and to gain a competitive edge. Front-end warehouses are placed in residential areas to ensure the timely delivery of fresh goods and are usually in small size. This brings the challenge of deciding which goods to stock and in what quantities, taking into account capacity constraints. To address this issue, traditional predict-then-optimize (PTO) methods that predict sales and then decide on inventory often don't align prediction with inventory goals, as well as fail to prioritize consumer satisfaction. This paper proposes a multi-task Optimize-then-Predict-then-Optimize (OTPTO) approach that jointly optimizes product selection and inventory management, aiming to increase consumer satisfaction by maximizing the full order fulfillment rate. Our method employs a 0-1 mixed integer programming model OM1 to determine historically optimal inventory levels, and then uses a product selection model PM1 and the stocking model PM2 for prediction. The combined results are further refined through a post-processing algorithm OM2. Experimental results from JD.com's 7Fresh platform demonstrate the robustness and significant advantages of our OTPTO method. Compared to the PTO approach, our OTPTO method substantially enhances the full order fulfillment rate by 4.34% (a relative increase of 7.05%) and narrows the gap to the optimal full order fulfillment rate by 5.27%. These findings substantiate the efficacy of the OTPTO method in managing inventory at front-end warehouses of fresh e-commerce platforms and provide valuable insights for future research in this domain.

We propose GAM-Agent, a game-theoretic multi-agent framework for enhancing vision-language reasoning. Unlike prior single-agent or monolithic models, GAM-Agent formulates the reasoning process as a non-zero-sum game between base agents--each specializing in visual perception subtasks--and a critical agent that verifies logic consistency and factual correctness. Agents communicate via structured claims, evidence, and uncertainty estimates. The framework introduces an uncertainty-aware controller to dynamically adjust agent collaboration, triggering multi-round debates when disagreement or ambiguity is detected. This process yields more robust and interpretable predictions. Experiments on four challenging benchmarks--MMMU, MMBench, MVBench, and V*Bench--demonstrate that GAM-Agent significantly improves performance across various VLM backbones. Notably, GAM-Agent boosts the accuracy of small-to-mid scale models (e.g., Qwen2.5-VL-7B, InternVL3-14B) by 5--6\%, and still enhances strong models like GPT-4o by up to 2--3\%. Our approach is modular, scalable, and generalizable, offering a path toward reliable and explainable multi-agent multimodal reasoning.

Process reward models (PRMs) provide more nuanced supervision compared to outcome reward models (ORMs) for optimizing policy models, positioning them as a promising approach to enhancing the capabilities of LLMs in complex reasoning tasks. Recent efforts have advanced PRMs from step-level to token-level granularity by integrating reward modeling into the training of generative models, with reward scores derived from token generation probabilities. However, the conflict between generative language modeling and reward modeling may introduce instability and lead to inaccurate credit assignments. To address this challenge, we revisit token-level reward assignment by decoupling reward modeling from language generation and derive a token-level reward model through the optimization of a discriminative policy, termed the Q-function Reward Model (Q-RM). We theoretically demonstrate that Q-RM explicitly learns token-level Q-functions from preference data without relying on fine-grained annotations. In our experiments, Q-RM consistently outperforms all baseline methods across various benchmarks. For example, when integrated into PPO/REINFORCE algorithms, Q-RM enhances the average Pass@1 score by 5.85/4.70 points on mathematical reasoning tasks compared to the ORM baseline, and by 4.56/5.73 points compared to the token-level PRM counterpart. Moreover, reinforcement learning with Q-RM significantly enhances training efficiency, achieving convergence 12 times faster than ORM on GSM8K and 11 times faster than step-level PRM on MATH. Code and data are available at https://github.com/homzer/Q-RM.

Acknowledgements: The work was supported by the National Natural Science Foundation of China [Grants 72471216, 72022018, 72091210] and Youth Innovation Promotion Association, Chinese Academy of Sciences [Grant No. 2021454]. A specialized fitness metric quantifying customers' temporal flexibility enhances the shaking phase effectiveness. Computational experiments on realistic unmanned vending machine replenishment scenarios demonstrate RL-AVNS's superior performance. The approach exhibits strong generalization capabilities to unseen problem instances, offering practical value for complex logistics optimization. Learning to Search for Vehicle Routing with Multiple Time Windows A R T I C L E I N F OKeywords: Vehicle routing Multiple time windows Reinforcement learning Unmanned vending machine replenishment A B S T R A C T In this study, we propose a reinforcement learning-based adaptive variable neighborhood search (RL-AVNS) method designed for effectively solving the Vehicle Routing Problem with Multiple Time Windows (VRPMTW). Unlike traditional adaptive approaches that rely solely on historical operator performance, our method integrates a reinforcement learning framework to dynamically select neighborhood operators based on real-time solution states and learned experience. We introduce a fitness metric that quantifies customers' temporal flexibility to improve the shaking phase, and employ a transformer-based neural policy network to intelligently guide operator selection during the local search. Extensive computational experiments are conducted on realistic scenarios derived from the replenishment of unmanned vending machines, characterized by multiple clustered replenishment windows. Results demonstrate that RL-AVNS significantly outperforms traditional variable neighborhood search (VNS), adaptive VNS (AVNS), and state-of-the-art learning-based heuristics, achieving substantial improvements in solution quality and computational efficiency across various instance scales and time window complexities. Particularly notable is the algorithm's capability to generalize effectively to problem instances not encountered during training, underscoring its practical utility for complex logistics scenarios.1. Introduction Vehicle Routing Problems (VRPs) are fundamental to optimizing logistics and transportation systems. They are critical for ensuring timely and cost-effective deliveries in various industries, including e-commerce, healthcare, and food services (Vigo and Toth, 2014; Cordeau et al., 2002). In response to growing customer expectations for personalized services, logistics providers are increasingly offering flexible delivery options to improve service quality and maintain a competitive edge.

Machine Learning (ML) techniques for Optimal Power Flow (OPF) problems have recently garnered significant attention, reflecting a broader trend of leveraging ML to approximate and/or accelerate the resolution of complex optimization problems. These developments are necessitated by the increased volatility and scale in energy production for modern and future grids. However, progress in ML for OPF is hindered by the lack of standardized datasets and evaluation metrics, from generating and solving OPF instances, to training and benchmarking machine learning models. To address this challenge, this paper introduces PGLearn, a comprehensive suite of standardized datasets and evaluation tools for ML and OPF. PGLearn provides datasets that are representative of real-life operating conditions, by explicitly capturing both global and local variability in the data generation, and by, for the first time, including time series data for several large-scale systems. In addition, it supports multiple OPF formulations, including AC, DC, and second-order cone formulations. Standardized datasets are made publicly available to democratize access to this field, reduce the burden of data generation, and enable the fair comparison of various methodologies. PGLearn also includes a robust toolkit for training, evaluating, and benchmarking machine learning models for OPF, with the goal of standardizing performance evaluation across the field. By promoting open, standardized datasets and evaluation metrics, PGLearn aims at democratizing and accelerating research and innovation in machine learning applications for optimal power flow problems. Datasets are available for download at https://www.huggingface.co/PGLearn.

Physics Informed Neural Networks (PINNs) have been emerging as a powerful computational tool for solving differential equations. However, the applicability of these models is still in its initial stages and requires more standardization to gain wider popularity. Through this survey, we present a comprehensive overview of PINNs approaches exploring various aspects related to their architecture, variants, areas of application, real-world use cases, challenges, and so on. Even though existing surveys can be identified, they fail to provide a comprehensive view as they primarily focus on either different application scenarios or limit their study to a superficial level. This survey attempts to bridge the gap in the existing literature by presenting a detailed analysis of all these factors combined with recent advancements and state-of-the-art research in PINNs. Additionally, we discuss prevalent challenges in PINNs implementation and present some of the future research directions as well. The overall contributions of the survey can be summarised into three sections: A detailed overview of PINNs architecture and variants, a performance analysis of PINNs on different equations and application domains highlighting their features. Finally, we present a detailed discussion of current issues and future research directions.

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs witnessed promising empirical results given its favorable non-myopic nature. Despite this, the direct extension of these approaches to multi-objective Bayesian optimization (MOBO) suffer from the \textit{hypervolume identifiability issue}, which results from the non-Markovian nature of MOBO problems. To tackle this, inspired by the non-Markovian RL literature and the success of Transformers in language modeling, we present a generalized deep Q-learning framework and propose \textit{BOFormer}, which substantiates this framework for MOBO via sequence modeling. Through extensive evaluation, we demonstrate that BOFormer constantly outperforms the benchmark rule-based and learning-based algorithms in various synthetic MOBO and real-world multi-objective hyperparameter optimization problems. We have made the source code publicly available to encourage further research in this direction.