Zhiguang Cao

Federico Berto, Chuanbo Hua, Junyoung Park et al. · pku

Combinatorial optimization (CO) is fundamental to several real-world applications, from logistics and scheduling to hardware design and resource allocation. Deep reinforcement learning (RL) has recently shown significant benefits in solving CO problems, reducing reliance on domain expertise and improving computational efficiency. However, the absence of a unified benchmarking framework leads to inconsistent evaluations, limits reproducibility, and increases engineering overhead, raising barriers to adoption for new researchers. To address these challenges, we introduce RL4CO, a unified and extensive benchmark with in-depth library coverage of 27 CO problem environments and 23 state-of-the-art baselines. Built on efficient software libraries and best practices in implementation, RL4CO features modularized implementation and flexible configurations of diverse environments, policy architectures, RL algorithms, and utilities with extensive documentation. RL4CO helps researchers build on existing successes while exploring and developing their own designs, facilitating the entire research process by decoupling science from heavy engineering. We finally provide extensive benchmark studies to inspire new insights and future work. RL4CO has already attracted numerous researchers in the community and is open-sourced at https://github.com/ai4co/rl4co.

Yaoxin Wu, Jianan Zhou, Yunwen Xia et al.

Airport ground handling (AGH) offers necessary operations to flights during their turnarounds and is of great importance to the efficiency of airport management and the economics of aviation. Such a problem involves the interplay among the operations that leads to NP-hard problems with complex constraints. Hence, existing methods for AGH are usually designed with massive domain knowledge but still fail to yield high-quality solutions efficiently. In this paper, we aim to enhance the solution quality and computation efficiency for solving AGH. Particularly, we first model AGH as a multiple-fleet vehicle routing problem (VRP) with miscellaneous constraints including precedence, time windows, and capacity. Then we propose a construction framework that decomposes AGH into sub-problems (i.e., VRPs) in fleets and present a neural method to construct the routing solutions to these sub-problems. In specific, we resort to deep learning and parameterize the construction heuristic policy with an attention-based neural network trained with reinforcement learning, which is shared across all sub-problems. Extensive experiments demonstrate that our method significantly outperforms classic meta-heuristics, construction heuristics and the specialized methods for AGH. Besides, we empirically verify that our neural method generalizes well to instances with large numbers of flights or varying parameters, and can be readily adapted to solve real-time AGH with stochastic flight arrivals. Our code is publicly available at: https://github.com/RoyalSkye/AGH.

Yining Ma, Zhiguang Cao, Yeow Meng Chee

In this paper, we present Neural k-Opt (NeuOpt), a novel learning-to-search (L2S) solver for routing problems. It learns to perform flexible k-opt exchanges based on a tailored action factorization method and a customized recurrent dual-stream decoder. As a pioneering work to circumvent the pure feasibility masking scheme and enable the autonomous exploration of both feasible and infeasible regions, we then propose the Guided Infeasible Region Exploration (GIRE) scheme, which supplements the NeuOpt policy network with feasibility-related features and leverages reward shaping to steer reinforcement learning more effectively. Additionally, we equip NeuOpt with Dynamic Data Augmentation (D2A) for more diverse searches during inference. Extensive experiments on the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) demonstrate that our NeuOpt not only significantly outstrips existing (masking-based) L2S solvers, but also showcases superiority over the learning-to-construct (L2C) and learning-to-predict (L2P) solvers. Notably, we offer fresh perspectives on how neural solvers can handle VRP constraints. Our code is available: https://github.com/yining043/NeuOpt.

Haoran Ye, Jiarui Wang, Zhiguang Cao et al. · pku

Ant Colony Optimization (ACO) is a meta-heuristic algorithm that has been successfully applied to various Combinatorial Optimization Problems (COPs). Traditionally, customizing ACO for a specific problem requires the expert design of knowledge-driven heuristics. In this paper, we propose DeepACO, a generic framework that leverages deep reinforcement learning to automate heuristic designs. DeepACO serves to strengthen the heuristic measures of existing ACO algorithms and dispense with laborious manual design in future ACO applications. As a neural-enhanced meta-heuristic, DeepACO consistently outperforms its ACO counterparts on eight COPs using a single neural architecture and a single set of hyperparameters. As a Neural Combinatorial Optimization method, DeepACO performs better than or on par with problem-specific methods on canonical routing problems. Our code is publicly available at https://github.com/henry-yeh/DeepACO.

Zeyuan Ma, Hongshu Guo, Jiacheng Chen et al.

Recently, Meta-Black-Box Optimization with Reinforcement Learning (MetaBBO-RL) has showcased the power of leveraging RL at the meta-level to mitigate manual fine-tuning of low-level black-box optimizers. However, this field is hindered by the lack of a unified benchmark. To fill this gap, we introduce MetaBox, the first benchmark platform expressly tailored for developing and evaluating MetaBBO-RL methods. MetaBox offers a flexible algorithmic template that allows users to effortlessly implement their unique designs within the platform. Moreover, it provides a broad spectrum of over 300 problem instances, collected from synthetic to realistic scenarios, and an extensive library of 19 baseline methods, including both traditional black-box optimizers and recent MetaBBO-RL methods. Besides, MetaBox introduces three standardized performance metrics, enabling a more thorough assessment of the methods. In a bid to illustrate the utility of MetaBox for facilitating rigorous evaluation and in-depth analysis, we carry out a wide-ranging benchmarking study on existing MetaBBO-RL methods. Our MetaBox is open-source and accessible at: https://github.com/GMC-DRL/MetaBox.

Rongkai Zhang, Cong Zhang, Zhiguang Cao et al.

We propose a manager-worker framework based on deep reinforcement learning to tackle a hard yet nontrivial variant of Travelling Salesman Problem (TSP), \ie~multiple-vehicle TSP with time window and rejections (mTSPTWR), where customers who cannot be served before the deadline are subject to rejections. Particularly, in the proposed framework, a manager agent learns to divide mTSPTWR into sub-routing tasks by assigning customers to each vehicle via a Graph Isomorphism Network (GIN) based policy network. A worker agent learns to solve sub-routing tasks by minimizing the cost in terms of both tour length and rejection rate for each vehicle, the maximum of which is then fed back to the manager agent to learn better assignments. Experimental results demonstrate that the proposed framework outperforms strong baselines in terms of higher solution quality and shorter computation time. More importantly, the trained agents also achieve competitive performance for solving unseen larger instances.

Jianan Zhou, Yaoxin Wu, Zhiguang Cao et al.

Dispatching vehicle fleets to serve flights is a key task in airport ground handling (AGH). Due to the notable growth of flights, it is challenging to simultaneously schedule multiple types of operations (services) for a large number of flights, where each type of operation is performed by one specific vehicle fleet. To tackle this issue, we first represent the operation scheduling as a complex vehicle routing problem and formulate it as a mixed integer linear programming (MILP) model. Then given the graph representation of the MILP model, we propose a learning assisted large neighborhood search (LNS) method using data generated based on real scenarios, where we integrate imitation learning and graph convolutional network (GCN) to learn a destroy operator to automatically select variables, and employ an off-the-shelf solver as the repair operator to reoptimize the selected variables. Experimental results based on a real airport show that the proposed method allows for handling up to 200 flights with 10 types of operations simultaneously, and outperforms state-of-the-art methods. Moreover, the learned method performs consistently accompanying different solvers, and generalizes well on larger instances, verifying the versatility and scalability of our method.

Cong Zhang, Zhiguang Cao, Wen Song et al.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

Xiao Mao, Zhiguang Cao, Mingfeng Fan et al.

Exploiting unmanned aerial vehicles (UAVs) to execute tasks is gaining growing popularity recently. To solve the underlying task scheduling problem, the deep reinforcement learning (DRL) based methods demonstrate notable advantage over the conventional heuristics as they rely less on hand-engineered rules. However, their decision space will become prohibitively huge as the problem scales up, thus deteriorating the computation efficiency. To alleviate this issue, we propose a double-level deep reinforcement learning (DL-DRL) approach based on a divide and conquer framework (DCF), where we decompose the task scheduling of multi-UAV into task allocation and route planning. Particularly, we design an encoder-decoder structured policy network in our upper-level DRL model to allocate the tasks to different UAVs, and we exploit another attention based policy network in our lower-level DRL model to construct the route for each UAV, with the objective to maximize the number of executed tasks given the maximum flight distance of the UAV. To effectively train the two models, we design an interactive training strategy (ITS), which includes pre-training, intensive training and alternate training. Experimental results show that our DL-DRL performs favorably against the learning-based and conventional baselines including the OR-Tools, in terms of solution quality and computation efficiency. We also verify the generalization performance of our approach by applying it to larger sizes of up to 1000 tasks. Moreover, we also show via an ablation study that our ITS can help achieve a balance between the performance and training efficiency.

Jieyi Bi, Yining Ma, Jiahai Wang et al.

Recent neural methods for vehicle routing problems always train and test the deep models on the same instance distribution (i.e., uniform). To tackle the consequent cross-distribution generalization concerns, we bring the knowledge distillation to this field and propose an Adaptive Multi-Distribution Knowledge Distillation (AMDKD) scheme for learning more generalizable deep models. Particularly, our AMDKD leverages various knowledge from multiple teachers trained on exemplar distributions to yield a light-weight yet generalist student model. Meanwhile, we equip AMDKD with an adaptive strategy that allows the student to concentrate on difficult distributions, so as to absorb hard-to-master knowledge more effectively. Extensive experimental results show that, compared with the baseline neural methods, our AMDKD is able to achieve competitive results on both unseen in-distribution and out-of-distribution instances, which are either randomly synthesized or adopted from benchmark datasets (i.e., TSPLIB and CVRPLIB). Notably, our AMDKD is generic, and consumes less computational resources for inference.

Yining Ma, Jingwen Li, Zhiguang Cao et al.

We present an efficient Neural Neighborhood Search (N2S) approach for pickup and delivery problems (PDPs). In specific, we design a powerful Synthesis Attention that allows the vanilla self-attention to synthesize various types of features regarding a route solution. We also exploit two customized decoders that automatically learn to perform removal and reinsertion of a pickup-delivery node pair to tackle the precedence constraint. Additionally, a diversity enhancement scheme is leveraged to further ameliorate the performance. Our N2S is generic, and extensive experiments on two canonical PDP variants show that it can produce state-of-the-art results among existing neural methods. Moreover, it even outstrips the well-known LKH3 solver on the more constrained PDP variant. Our implementation for N2S is available online.

Jinbiao Chen, Zizhen Zhang, Zhiguang Cao et al.

Most of existing neural methods for multi-objective combinatorial optimization (MOCO) problems solely rely on decomposition, which often leads to repetitive solutions for the respective subproblems, thus a limited Pareto set. Beyond decomposition, we propose a novel neural heuristic with diversity enhancement (NHDE) to produce more Pareto solutions from two perspectives. On the one hand, to hinder duplicated solutions for different subproblems, we propose an indicator-enhanced deep reinforcement learning method to guide the model, and design a heterogeneous graph attention mechanism to capture the relations between the instance graph and the Pareto front graph. On the other hand, to excavate more solutions in the neighborhood of each subproblem, we present a multiple Pareto optima strategy to sample and preserve desirable solutions. Experimental results on classic MOCO problems show that our NHDE is able to generate a Pareto front with higher diversity, thereby achieving superior overall performance. Moreover, our NHDE is generic and can be applied to different neural methods for MOCO.

Jinbiao Chen, Jiahai Wang, Zizhen Zhang et al.

Recently, neural heuristics based on deep reinforcement learning have exhibited promise in solving multi-objective combinatorial optimization problems (MOCOPs). However, they are still struggling to achieve high learning efficiency and solution quality. To tackle this issue, we propose an efficient meta neural heuristic (EMNH), in which a meta-model is first trained and then fine-tuned with a few steps to solve corresponding single-objective subproblems. Specifically, for the training process, a (partial) architecture-shared multi-task model is leveraged to achieve parallel learning for the meta-model, so as to speed up the training; meanwhile, a scaled symmetric sampling method with respect to the weight vectors is designed to stabilize the training. For the fine-tuning process, an efficient hierarchical method is proposed to systematically tackle all the subproblems. Experimental results on the multi-objective traveling salesman problem (MOTSP), multi-objective capacitated vehicle routing problem (MOCVRP), and multi-objective knapsack problem (MOKP) show that, EMNH is able to outperform the state-of-the-art neural heuristics in terms of solution quality and learning efficiency, and yield competitive solutions to the strong traditional heuristics while consuming much shorter time.

Yong Liang Goh, Zhiguang Cao, Yining Ma et al.

Existing neural constructive solvers for routing problems have predominantly employed transformer architectures, conceptualizing the route construction as a set-to-sequence learning task. However, their efficacy has primarily been demonstrated on entirely random problem instances that inadequately capture real-world scenarios. In this paper, we introduce realistic Traveling Salesman Problem (TSP) scenarios relevant to industrial settings and derive the following insights: (1) The optimal next node (or city) to visit often lies within proximity to the current node, suggesting the potential benefits of biasing choices based on current locations. (2) Effectively solving the TSP requires robust tracking of unvisited nodes and warrants succinct grouping strategies. Building upon these insights, we propose integrating a learnable choice layer inspired by Hypernetworks to prioritize choices based on the current location, and a learnable approximate clustering algorithm inspired by the Expectation-Maximization algorithm to facilitate grouping the unvisited cities. Together, these two contributions form a hierarchical approach towards solving the realistic TSP by considering both immediate local neighbourhoods and learning an intermediate set of node representations. Our hierarchical approach yields superior performance compared to both classical and recent transformer models, showcasing the efficacy of the key designs.

Jianan Zhou, Zhiguang Cao, Yaoxin Wu et al.

Learning to solve vehicle routing problems (VRPs) has garnered much attention. However, most neural solvers are only structured and trained independently on a specific problem, making them less generic and practical. In this paper, we aim to develop a unified neural solver that can cope with a range of VRP variants simultaneously. Specifically, we propose a multi-task vehicle routing solver with mixture-of-experts (MVMoE), which greatly enhances the model capacity without a proportional increase in computation. We further develop a hierarchical gating mechanism for the MVMoE, delivering a good trade-off between empirical performance and computational complexity. Experimentally, our method significantly promotes zero-shot generalization performance on 10 unseen VRP variants, and showcases decent results on the few-shot setting and real-world benchmark instances. We further conduct extensive studies on the effect of MoE configurations in solving VRPs, and observe the superiority of hierarchical gating when facing out-of-distribution data. The source code is available at: https://github.com/RoyalSkye/Routing-MVMoE.

Ziwei Huang, Jianan Zhou, Zhiguang Cao et al.

Light decoder-based solvers have gained popularity for solving vehicle routing problems (VRPs) due to their efficiency and ease of integration with reinforcement learning algorithms. However, they often struggle with generalization to larger problem instances or different VRP variants. This paper revisits light decoder-based approaches, analyzing the implications of their reliance on static embeddings and the inherent challenges that arise. Specifically, we demonstrate that in the light decoder paradigm, the encoder is implicitly tasked with capturing information for all potential decision scenarios during solution construction within a single set of embeddings, resulting in high information density. Furthermore, our empirical analysis reveals that the overly simplistic decoder struggles to effectively utilize this dense information, particularly as task complexity increases, which limits generalization to out-of-distribution (OOD) settings. Building on these insights, we show that enhancing the decoder capacity, with a simple addition of identity mapping and a feed-forward layer, can considerably alleviate the generalization issue. Experimentally, our method significantly enhances the OOD generalization of light decoder-based approaches on large-scale instances and complex VRP variants, narrowing the gap with the heavy decoder paradigm. Our code is available at: https://github.com/ziweileonhuang/reld-nco.

Jieyi Bi, Zhiguang Cao, Jianan Zhou et al.

Neural solvers have achieved impressive progress in addressing simple routing problems, particularly excelling in computational efficiency. However, their advantages under complex constraints remain nascent, for which current constraint-handling schemes via feasibility masking or implicit feasibility awareness can be inefficient or inapplicable for hard constraints. In this paper, we present Construct-and-Refine (CaR), the first general and efficient constraint-handling framework for neural routing solvers based on explicit learning-based feasibility refinement. Unlike prior construction-search hybrids that target reducing optimality gaps through heavy improvements yet still struggle with hard constraints, CaR achieves efficient constraint handling by designing a joint training framework that guides the construction module to generate diverse and high-quality solutions well-suited for a lightweight improvement process, e.g., 10 steps versus 5k steps in prior work. Moreover, CaR presents the first use of construction-improvement-shared representation, enabling potential knowledge sharing across paradigms by unifying the encoder, especially in more complex constrained scenarios. We evaluate CaR on typical hard routing constraints to showcase its broader applicability. Results demonstrate that CaR achieves superior feasibility, solution quality, and efficiency compared to both classical and neural state-of-the-art solvers.

Jianghan Zhu, Yaoxin Wu, Zhuoyi Lin et al.

Recent advances in Neural Combinatorial Optimization (NCO) methods have significantly improved the capability of neural solvers to handle synthetic routing instances. Nonetheless, existing neural solvers typically struggle to generalize effectively from synthetic, uniformly-distributed training data to real-world VRP scenarios, including widely recognized benchmark instances from TSPLib and CVRPLib. To bridge this generalization gap, we present Evolutionary Realistic Instance Synthesis (EvoReal), which leverages an evolutionary module guided by large language models (LLMs) to generate synthetic instances characterized by diverse and realistic structural patterns. Specifically, the evolutionary module produces synthetic instances whose structural attributes statistically mimics those observed in authentic real-world instances. Subsequently, pre-trained NCO models are progressively refined, firstly aligning them with these structurally enriched synthetic distributions and then further adapting them through direct fine-tuning on actual benchmark instances. Extensive experimental evaluations demonstrate that EvoReal markedly improves the generalization capabilities of state-of-the-art neural solvers, yielding a notable reduced performance gap compared to the optimal solutions on the TSPLib (1.05%) and CVRPLib (2.71%) benchmarks across a broad spectrum of problem scales.

Hang Yi, Ziwei Huang, Yining Ma et al.

Recent neural solvers have achieved strong performance on vehicle routing problems (VRPs), yet they mainly assume symmetric Euclidean distances, restricting applicability to real-world scenarios. A core challenge is encoding the relational features in asymmetric distance matrices of VRPs. Early attempts directly encoded these matrices but often failed to produce compact embeddings and generalized poorly at scale. In this paper, we propose RADAR, a scalable neural framework that augments existing neural VRP solvers with the ability to handle asymmetric inputs. RADAR addresses asymmetry from both static and dynamic perspectives. It leverages Singular Value Decomposition (SVD) on the asymmetric distance matrix to initialize compact and generalizable embeddings that inherently encode the static asymmetry in the inbound and outbound costs of each node. To further model dynamic asymmetry in embedding interactions during encoding, it replaces the standard softmax with Sinkhorn normalization that imposes joint row and column distance awareness in attention weights. Extensive experiments on synthetic and real-world benchmarks across various VRPs show that RADAR outperforms strong baselines on both in-distribution and out-of-distribution instances, demonstrating robust generalization and superior performance in solving asymmetric VRPs.

Mingzhao Wang, You Zhou, Zhiguang Cao et al.

Recent advances in neural models have shown considerable promise in solving Traveling Salesman Problems (TSPs) without relying on much hand-crafted engineering. However, while non-autoregressive (NAR) approaches benefit from faster inference through parallelism, they typically deliver solutions of inferior quality compared to autoregressive ones. To enhance the solution quality while maintaining fast inference, we propose DEITSP, a diffusion model with efficient iterations tailored for TSP that operates in a NAR manner. Firstly, we introduce a one-step diffusion model that integrates the controlled discrete noise addition process with self-consistency enhancement, enabling optimal solution prediction through simultaneous denoising of multiple solutions. Secondly, we design a dual-modality graph transformer to bolster the extraction and fusion of features from node and edge modalities, while further accelerating the inference with fewer layers. Thirdly, we develop an efficient iterative strategy that alternates between adding and removing noise to improve exploration compared to previous diffusion methods. Additionally, we devise a scheduling framework to progressively refine the solution space by adjusting noise levels, facilitating a smooth search for optimal solutions. Extensive experiments on real-world and large-scale TSP instances demonstrate that DEITSP performs favorably against existing neural approaches in terms of solution quality, inference latency, and generalization ability. Our code is available at $\href{https://github.com/DEITSP/DEITSP}{https://github.com/DEITSP/DEITSP}$.

Zeyuan Ma, Zhiguang Cao, Zhou Jiang et al.

Recent progress in Meta-Black-Box-Optimization (MetaBBO) has demonstrated that using RL to learn a meta-level policy for dynamic algorithm configuration (DAC) over an optimization task distribution could significantly enhance the performance of the low-level BBO algorithm. However, the online learning paradigms in existing works makes the efficiency of MetaBBO problematic. To address this, we propose an offline learning-based MetaBBO framework in this paper, termed Q-Mamba, to attain both effectiveness and efficiency in MetaBBO. Specifically, we first transform DAC task into long-sequence decision process. This allows us further introduce an effective Q-function decomposition mechanism to reduce the learning difficulty within the intricate algorithm configuration space. Under this setting, we propose three novel designs to meta-learn DAC policy from offline data: we first propose a novel collection strategy for constructing offline DAC experiences dataset with balanced exploration and exploitation. We then establish a decomposition-based Q-loss that incorporates conservative Q-learning to promote stable offline learning from the offline dataset. To further improve the offline learning efficiency, we equip our work with a Mamba architecture which helps long-sequence learning effectiveness and efficiency by selective state model and hardware-aware parallel scan respectively. Through extensive benchmarking, we observe that Q-Mamba achieves competitive or even superior performance to prior online/offline baselines, while significantly improving the training efficiency of existing online baselines. We provide sourcecodes of Q-Mamba at https://github.com/MetaEvo/Q-Mamba.

Zeyuan Ma, Zhiyang Huang, Jiacheng Chen et al.

Recent Meta-Black-Box Optimization (MetaBBO) approaches have shown possibility of enhancing the optimization performance through learning meta-level policies to dynamically configure low-level optimizers. However, existing MetaBBO approaches potentially consume massive function evaluations to train their meta-level policies. Inspired by the recent trend of using surrogate models for cost-friendly evaluation of expensive optimization problems, in this paper, we propose a novel MetaBBO framework which combines surrogate learning process and reinforcement learning-aided Differential Evolution algorithm, namely Surr-RLDE, to address the intensive function evaluation in MetaBBO. Surr-RLDE comprises two learning stages: surrogate learning and policy learning. In surrogate learning, we train a Kolmogorov-Arnold Networks (KAN) with a novel relative-order-aware loss to accurately approximate the objective functions of the problem instances used for subsequent policy learning. In policy learning, we employ reinforcement learning (RL) to dynamically configure the mutation operator in DE. The learned surrogate model is integrated into the training of the RL-based policy to substitute for the original objective function, which effectively reduces consumed evaluations during policy learning. Extensive benchmark results demonstrate that Surr-RLDE not only shows competitive performance to recent baselines, but also shows compelling generalization for higher-dimensional problems. Further ablation studies underscore the effectiveness of each technical components in Surr-RLDE. We open-source Surr-RLDE at https://github.com/GMC-DRL/Surr-RLDE.

Cong Zhang, Zhiguang Cao, Yaoxin Wu et al.

Existing learning-based methods for solving job shop scheduling problems (JSSP) usually use off-the-shelf GNN models tailored to undirected graphs and neglect the rich and meaningful topological structures of disjunctive graphs (DGs). This paper proposes the topology-aware bidirectional graph attention network (TBGAT), a novel GNN architecture based on the attention mechanism, to embed the DG for solving JSSP in a local search framework. Specifically, TBGAT embeds the DG from a forward and a backward view, respectively, where the messages are propagated by following the different topologies of the views and aggregated via graph attention. Then, we propose a novel operator based on the message-passing mechanism to calculate the forward and backward topological sorts of the DG, which are the features for characterizing the topological structures and exploited by our model. In addition, we theoretically and experimentally show that TBGAT has linear computational complexity to the number of jobs and machines, respectively, strengthening our method's practical value. Besides, extensive experiments on five synthetic datasets and seven classic benchmarks show that TBGAT achieves new SOTA results by outperforming a wide range of neural methods by a large margin. All the code and data are publicly available online at https://github.com/zcaicaros/TBGAT.

Zechuan Huang, Zhiguang Cao, Hongshu Guo et al.

Meta-Black-Box Optimization (MetaBBO) is an emerging avenue within Optimization community, where algorithm design policy could be meta-learned by reinforcement learning to enhance optimization performance. So far, the reward functions in existing MetaBBO works are designed by human experts, introducing certain design bias and risks of reward hacking. In this paper, we use Large Language Model~(LLM) as an automated reward discovery tool for MetaBBO. Specifically, we consider both effectiveness and efficiency sides. On effectiveness side, we borrow the idea of evolution of heuristics, introducing tailored evolution paradigm in the iterative LLM-based program search process, which ensures continuous improvement. On efficiency side, we additionally introduce multi-task evolution architecture to support parallel reward discovery for diverse MetaBBO approaches. Such parallel process also benefits from knowledge sharing across tasks to accelerate convergence. Empirical results demonstrate that the reward functions discovered by our approach could be helpful for boosting existing MetaBBO works, underscoring the importance of reward design in MetaBBO. We provide READY's project at https://anonymous.4open.science/r/ICML_READY-747F.

Tianjue Lin, Jianan Zhou, Jieyi Bi et al.

Two-Stage Robust Optimization (2RO) with discrete uncertainty is challenging, often rendering exact solutions prohibitive. Scenario reduction alleviates this issue by selecting a small, representative subset of scenarios to enable tractable computation. However, existing methods are largely problem-agnostic, operating solely on the uncertainty set without consulting the feasible region or recourse structure. In this paper, we introduce PRISE, a problem-driven sequential lookahead heuristic that constructs reduced scenario sets by evaluating the marginal impact of each scenario. While PRISE yields high-quality scenario subsets, each selection step requires solving multiple subproblems, making it computationally expensive at scale. To address this, we propose NeurPRISE, a neural surrogate model built on a GNN-Transformer backbone that encodes the per-scenario structure via graph convolution and captures cross-scenario interactions through attention. NeurPRISE is trained via imitation learning with a gain-aware ranking objective, which distills marginal gain information from PRISE into a learned scoring function for scenario ranking and selection. Extensive results on three 2RO problems show that NeurPRISE consistently achieves competitive regret relative to comprehensive methods, maintains strong calability with varying numbers of scenarios, and delivers 7-200x speedup over PRISE. NeurPRISE also exhibits strong zero-shot generalization, effectively handling instances with larger problem scales (up to 5x), more scenarios (up to 4x), and distribution shifts.

Xian-Rong Zhang, Yue-Jiao Gong, Zhiguang Cao et al.

In recent years, there has been a growing interest in data-driven evolutionary algorithms (DDEAs) employing surrogate models to approximate the objective functions with limited data. However, current DDEAs are primarily designed for lower-dimensional problems and their performance drops significantly when applied to large-scale optimization problems (LSOPs). To address the challenge, this paper proposes an offline DDEA named DSKT-DDEA. DSKT-DDEA leverages multiple islands that utilize different data to establish diverse surrogate models, fostering diverse subpopulations and mitigating the risk of premature convergence. In the intra-island optimization phase, a semi-supervised learning method is devised to fine-tune the surrogates. It not only facilitates data argumentation, but also incorporates the distribution information gathered during the search process to align the surrogates with the evolving local landscapes. Then, in the inter-island knowledge transfer phase, the algorithm incorporates an adaptive strategy that periodically transfers individual information and evaluates the transfer effectiveness in the new environment, facilitating global optimization efficacy. Experimental results demonstrate that our algorithm is competitive with state-of-the-art DDEAs on problems with up to 1000 dimensions, while also exhibiting decent parallelism and scalability. Our DSKT-DDEA is open-source and accessible at: https://github.com/LabGong/DSKT-DDEA.

Jiaqi Wang, Zhiguang Cao, Peng Zhao et al.

The rise of smart manufacturing under Industry 4.0 introduces mass customization and dynamic production, demanding more advanced and flexible scheduling techniques. The flexible job-shop scheduling problem (FJSP) has attracted significant attention due to its complex constraints and strong alignment with real-world production scenarios. Current deep reinforcement learning (DRL)-based approaches to FJSP predominantly employ constructive methods. While effective, they often fall short of reaching (near-)optimal solutions. In contrast, improvement-based methods iteratively explore the neighborhood of initial solutions and are more effective in approaching optimality. However, the flexible machine allocation in FJSP poses significant challenges to the application of this framework, including accurate state representation, effective policy learning, and efficient search strategies. To address these challenges, this paper proposes a Memory-enhanced Improvement Search framework with heterogeneous graph representation--MIStar. It employs a novel heterogeneous disjunctive graph that explicitly models the operation sequences on machines to accurately represent scheduling solutions. Moreover, a memoryenhanced heterogeneous graph neural network (MHGNN) is designed for feature extraction, leveraging historical trajectories to enhance the decision-making capability of the policy network. Finally, a parallel greedy search strategy is adopted to explore the solution space, enabling superior solutions with fewer iterations. Extensive experiments on synthetic data and public benchmarks demonstrate that MIStar significantly outperforms both traditional handcrafted improvement heuristics and state-of-the-art DRL-based constructive methods.

Haoran Ye, Jiarui Wang, Zhiguang Cao et al. · pku

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

Zeyuan Ma, Wenqi Huang, Guo-Huan Song et al.

Machine intelligence marks the ultimate dream of making machines' intelligence comparable to human beings. While recent progress in Large Language Models (LLMs) show substantial specific skills for a wide array of downstream tasks, they more or less fall shorts in general intelligence. Following correlation between intelligence and system 2 reasoning (slow thinking), in this paper, we aim to answering a worthwhile research question: could machine intelligence such as LLMs be evolved to acquire reasoning ability (not specific skill) just like our human beings? To this end, we propose evolutionary reasoning optimization (ERO) framework which performs survival of the fittest over a population of LLMs to search for individual with strong reasoning ability. Given a reasoning task, ERO first initializes multiple LLMs as a population, after which an evolutionary strategy evolves the population to maximize quantified reasoning score of the best individual. Based on experiments on representative testsuites, we claim two surprising empirical discoveries: i) the latest LLMs such as GPT-5 still show limited system 2 reasoning ability; ii) with simple evolution-loop of ERO, a relatively weak model (Qwen-7B) could be enhanced to emerge powerful reasoning ability. Our project can be accessed at https://github.com/MetaEvo/ERO for reproduction needs.

Jianan Zhou, Yaoxin Wu, Wen Song et al.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

Haoran Ye, Jiarui Wang, Helan Liang et al. · pku

The recent end-to-end neural solvers have shown promise for small-scale routing problems but suffered from limited real-time scaling-up performance. This paper proposes GLOP (Global and Local Optimization Policies), a unified hierarchical framework that efficiently scales toward large-scale routing problems. GLOP partitions large routing problems into Travelling Salesman Problems (TSPs) and TSPs into Shortest Hamiltonian Path Problems. For the first time, we hybridize non-autoregressive neural heuristics for coarse-grained problem partitions and autoregressive neural heuristics for fine-grained route constructions, leveraging the scalability of the former and the meticulousness of the latter. Experimental results show that GLOP achieves competitive and state-of-the-art real-time performance on large-scale routing problems, including TSP, ATSP, CVRP, and PCTSP.

Shuangchun Gui, Suyu Liu, Xuehe Wang et al.

Multi-task Vehicle Routing Problems (VRPs) aim to minimize routing costs while satisfying diverse constraints. Existing solvers typically adopt a unified reinforcement learning (RL) framework to learn generalizable patterns across tasks. However, they often overlook the constraint and node dynamics during the decision process, making the model fail to accurately react to the current context. To address this limitation, we propose Chain-of-Context Learning (CCL), a novel framework that progressively captures the evolving context to guide fine-grained node adaptation. Specifically, CCL constructs step-wise contextual information via a Relevance-Guided Context Reformulation (RGCR) module, which adaptively prioritizes salient constraints. This context then guides node updates through a Trajectory-Shared Node Re-embedding (TSNR) module, which aggregates shared node features from all trajectories' contexts and uses them to update inputs for the next step. By modeling evolving preferences of the RL agent, CCL captures step-by-step dependencies in sequential decision-making. We evaluate CCL on 48 diverse VRP variants, including 16 in-distribution and 32 out-of-distribution (with unseen constraints) tasks. Experimental results show that CCL performs favorably against the state-of-the-art baselines, achieving the best performance on all in-distribution tasks and the majority of out-of-distribution tasks.

Zeyuan Ma, Hongshu Guo, Jiacheng Chen et al.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Hongshu Guo, Yining Ma, Zeyuan Ma et al.

Evolutionary algorithms, such as Differential Evolution, excel in solving real-parameter optimization challenges. However, the effectiveness of a single algorithm varies across different problem instances, necessitating considerable efforts in algorithm selection or configuration. This paper aims to address the limitation by leveraging the complementary strengths of a group of algorithms and dynamically scheduling them throughout the optimization progress for specific problems. We propose a deep reinforcement learning-based dynamic algorithm selection framework to accomplish this task. Our approach models the dynamic algorithm selection a Markov Decision Process, training an agent in a policy gradient manner to select the most suitable algorithm according to the features observed during the optimization process. To empower the agent with the necessary information, our framework incorporates a thoughtful design of landscape and algorithmic features. Meanwhile, we employ a sophisticated deep neural network model to infer the optimal action, ensuring informed algorithm selections. Additionally, an algorithm context restoration mechanism is embedded to facilitate smooth switching among different algorithms. These mechanisms together enable our framework to seamlessly select and switch algorithms in a dynamic online fashion. Notably, the proposed framework is simple and generic, offering potential improvements across a broad spectrum of evolutionary algorithms. As a proof-of-principle study, we apply this framework to a group of Differential Evolution algorithms. The experimental results showcase the remarkable effectiveness of the proposed framework, not only enhancing the overall optimization performance but also demonstrating favorable generalization ability across different problem classes.

Jieyi Bi, Yining Ma, Jianan Zhou et al.

Vehicle Routing Problems (VRPs) can model many real-world scenarios and often involve complex constraints. While recent neural methods excel in constructing solutions based on feasibility masking, they struggle with handling complex constraints, especially when obtaining the masking itself is NP-hard. In this paper, we propose a novel Proactive Infeasibility Prevention (PIP) framework to advance the capabilities of neural methods towards more complex VRPs. Our PIP integrates the Lagrangian multiplier as a basis to enhance constraint awareness and introduces preventative infeasibility masking to proactively steer the solution construction process. Moreover, we present PIP-D, which employs an auxiliary decoder and two adaptive strategies to learn and predict these tailored masks, potentially enhancing performance while significantly reducing computational costs during training. To verify our PIP designs, we conduct extensive experiments on the highly challenging Traveling Salesman Problem with Time Window (TSPTW), and TSP with Draft Limit (TSPDL) variants under different constraint hardness levels. Notably, our PIP is generic to boost many neural methods, and exhibits both a significant reduction in infeasible rate and a substantial improvement in solution quality.

Zhuoyi Lin, Yaoxin Wu, Bangjian Zhou et al.

Existing neural heuristics often train a deep architecture from scratch for each specific vehicle routing problem (VRP), ignoring the transferable knowledge across different VRP variants. This paper proposes the cross-problem learning to assist heuristics training for different downstream VRP variants. Particularly, we modularize neural architectures for complex VRPs into 1) the backbone Transformer for tackling the travelling salesman problem (TSP), and 2) the additional lightweight modules for processing problem-specific features in complex VRPs. Accordingly, we propose to pre-train the backbone Transformer for TSP, and then apply it in the process of fine-tuning the Transformer models for each target VRP variant. On the one hand, we fully fine-tune the trained backbone Transformer and problem-specific modules simultaneously. On the other hand, we only fine-tune small adapter networks along with the modules, keeping the backbone Transformer still. Extensive experiments on typical VRPs substantiate that 1) the full fine-tuning achieves significantly better performance than the one trained from scratch, and 2) the adapter-based fine-tuning also delivers comparable performance while being notably parameter-efficient. Furthermore, we empirically demonstrate the favorable effect of our method in terms of cross-distribution application and versatility.

Hongshu Guo, Zeyuan Ma, Jiacheng Chen et al.

Recent advances in Meta-learning for Black-Box Optimization (MetaBBO) have shown the potential of using neural networks to dynamically configure evolutionary algorithms (EAs), enhancing their performance and adaptability across various BBO instances. However, they are often tailored to a specific EA, which limits their generalizability and necessitates retraining or redesigns for different EAs and optimization problems. To address this limitation, we introduce ConfigX, a new paradigm of the MetaBBO framework that is capable of learning a universal configuration agent (model) for boosting diverse EAs. To achieve so, our ConfigX first leverages a novel modularization system that enables the flexible combination of various optimization sub-modules to generate diverse EAs during training. Additionally, we propose a Transformer-based neural network to meta-learn a universal configuration policy through multitask reinforcement learning across a designed joint optimization task space. Extensive experiments verify that, our ConfigX, after large-scale pre-training, achieves robust zero-shot generalization to unseen tasks and outperforms state-of-the-art baselines. Moreover, ConfigX exhibits strong lifelong learning capabilities, allowing efficient adaptation to new tasks through fine-tuning. Our proposed ConfigX represents a significant step toward an automatic, all-purpose configuration agent for EAs.

Ni Zhang, Jingfeng Yang, Zhiguang Cao et al.

Recent research into solving vehicle routing problems (VRPs) has gained significant traction, particularly through the application of deep (reinforcement) learning for end-to-end solution construction. However, many current construction-based neural solvers predominantly utilize Transformer architectures, which can face scalability challenges and struggle to produce diverse solutions. To address these limitations, we introduce a novel framework beyond Transformer-based approaches, i.e., Adversarial Generative Flow Networks (AGFN). This framework integrates the generative flow network (GFlowNet)-a probabilistic model inherently adept at generating diverse solutions (routes)-with a complementary model for discriminating (or evaluating) the solutions. These models are trained alternately in an adversarial manner to improve the overall solution quality, followed by a proposed hybrid decoding method to construct the solution. We apply the AGFN framework to solve the capacitated vehicle routing problem (CVRP) and travelling salesman problem (TSP), and our experimental results demonstrate that AGFN surpasses the popular construction-based neural solvers, showcasing strong generalization capabilities on synthetic and real-world benchmark instances.

Shipei Zhou, Yuandong Ding, Chi Zhang et al.

This paper proposes a dual divide-and-optimize algorithm (DualOpt) for solving the large-scale traveling salesman problem (TSP). DualOpt combines two complementary strategies to improve both solution quality and computational efficiency. The first strategy is a grid-based divide-and-conquer procedure that partitions the TSP into smaller sub-problems, solving them in parallel and iteratively refining the solution by merging nodes and partial routes. The process continues until only one grid remains, yielding a high-quality initial solution. The second strategy involves a path-based divide-and-optimize procedure that further optimizes the solution by dividing it into sub-paths, optimizing each using a neural solver, and merging them back to progressively improve the overall solution. Extensive experiments conducted on two groups of TSP benchmark instances, including randomly generated instances with up to 100,000 nodes and real-world datasets from TSPLIB, demonstrate the effectiveness of DualOpt. The proposed DualOpt achieves highly competitive results compared to 10 state-of-the-art algorithms in the literature. In particular, DualOpt achieves an improvement gap up to 1.40% for the largest instance TSP100K with a remarkable 104x speed-up over the leading heuristic solver LKH3. Additionally, DualOpt demonstrates strong generalization on TSPLIB benchmarks, confirming its capability to tackle diverse real-world TSP applications.

Chen Wang, Yue-Jiao Gong, Zhiguang Cao et al.

To relieve intensive human-expertise required to design optimization algorithms, recent Meta-Black-Box Optimization (MetaBBO) researches leverage generalization strength of meta-learning to train neural network-based algorithm design policies over a predefined training problem set, which automates the adaptability of the low-level optimizers on unseen problem instances. Currently, a common training problem set choice in existing MetaBBOs is well-known benchmark suites CoCo-BBOB. Although such choice facilitates the MetaBBO's development, problem instances in CoCo-BBOB are more or less limited in diversity, raising the risk of overfitting of MetaBBOs, which might further results in poor generalization. In this paper, we propose an instance generation approach, termed as \textbf{LSRE}, which could generate diverse training problem instances for MetaBBOs to learn more generalizable policies. LSRE first trains an autoencoder which maps high-dimensional problem features into a 2-dimensional latent space. Uniform-grid sampling in this latent space leads to hidden representations of problem instances with sufficient diversity. By leveraging a genetic-programming approach to search function formulas with minimal L2-distance to these hidden representations, LSRE reverse engineers a diversified problem set, termed as \textbf{Diverse-BBO}. We validate the effectiveness of LSRE by training various MetaBBOs on Diverse-BBO and observe their generalization performances on either synthetic or realistic scenarios. Extensive experimental results underscore the superiority of Diverse-BBO to existing training set choices in MetaBBOs. Further ablation studies not only demonstrate the effectiveness of design choices in LSRE, but also reveal interesting insights on instance diversity and MetaBBO's generalization.

Yong Liang Goh, Zhiguang Cao, Yining Ma et al.

Recent advances toward foundation models for routing problems have shown great potential of a unified deep model for various VRP variants. However, they overlook the complex real-world customer distributions. In this work, we advance the Multi-Task VRP (MTVRP) setting to the more realistic yet challenging Multi-Task Multi-Distribution VRP (MTMDVRP) setting, and introduce SHIELD, a novel model that leverages both sparsity and hierarchy principles. Building on a deeper decoder architecture, we first incorporate the Mixture-of-Depths (MoD) technique to enforce sparsity. This improves both efficiency and generalization by allowing the model to dynamically select nodes to use or skip each decoder layer, providing the needed capacity to adaptively allocate computation for learning the task/distribution specific and shared representations. We also develop a context-based clustering layer that exploits the presence of hierarchical structures in the problems to produce better local representations. These two designs inductively bias the network to identify key features that are common across tasks and distributions, leading to significantly improved generalization on unseen ones. Our empirical results demonstrate the superiority of our approach over existing methods on 9 real-world maps with 16 VRP variants each.

Yuxin Pan, Ruohong Liu, Yize Chen et al.

Neural solvers based on the divide-and-conquer approach for Vehicle Routing Problems (VRPs) in general, and capacitated VRP (CVRP) in particular, integrates the global partition of an instance with local constructions for each subproblem to enhance generalization. However, during the global partition phase, misclusterings within subgraphs have a tendency to progressively compound throughout the multi-step decoding process of the learning-based partition policy. This suboptimal behavior in the global partition phase, in turn, may lead to a dramatic deterioration in the performance of the overall decomposition-based system, despite using optimal local constructions. To address these challenges, we propose a versatile Hierarchical Learning-based Graph Partition (HLGP) framework, which is tailored to benefit the partition of CVRP instances by synergistically integrating global and local partition policies. Specifically, the global partition policy is tasked with creating the coarse multi-way partition to generate the sequence of simpler two-way partition subtasks. These subtasks mark the initiation of the subsequent K local partition levels. At each local partition level, subtasks exclusive for this level are assigned to the local partition policy which benefits from the insensitive local topological features to incrementally alleviate the compounded errors. This framework is versatile in the sense that it optimizes the involved partition policies towards a unified objective harmoniously compatible with both reinforcement learning (RL) and supervised learning (SL). (*Due to the notification of arXiv "The Abstract field cannot be longer than 1,920 characters", the appeared Abstract is shortened. For the full Abstract, please download the Article.)

Yunzhuang Shen, Yuan Sun, Xiaodong Li et al.

Column generation (CG) is a well-established method for solving large-scale linear programs. It involves iteratively optimizing a subproblem containing a subset of columns and using its dual solution to generate new columns with negative reduced costs. This process continues until the dual values converge to the optimal dual solution to the original problem. A natural phenomenon in CG is the heavy oscillation of the dual values during iterations, which can lead to a substantial slowdown in the convergence rate. Stabilization techniques are devised to accelerate the convergence of dual values by using information beyond the state of the current subproblem. However, there remains a significant gap in obtaining more accurate dual values at an earlier stage. To further narrow this gap, this paper introduces a novel approach consisting of 1) a machine learning approach for accurate prediction of optimal dual solutions and 2) an adaptive stabilization technique that effectively capitalizes on accurate predictions. On the graph coloring problem, we show that our method achieves a significantly improved convergence rate compared to traditional methods.

Manuj Malik, Jianan Zhou, Shashank Reddy Chirra et al.

Designing high-performing metaheuristics for NP-hard combinatorial optimization problems, such as the Vehicle Routing Problem (VRP), remains a significant challenge, often requiring extensive domain expertise and manual tuning. Recent advances have demonstrated the potential of large language models (LLMs) to automate this process through evolutionary search. However, existing methods are largely reactive, relying on immediate performance feedback to guide what are essentially black-box code mutations. Our work departs from this paradigm by introducing Metacognitive Evolutionary Programming (MEP), a framework that elevates the LLM to a strategic discovery agent. Instead of merely reacting to performance scores, MEP compels the LLM to engage in a structured Reason-Act-Reflect cycle, forcing it to explicitly diagnose failures, formulate design hypotheses, and implement solutions grounded in pre-supplied domain knowledge. By applying MEP to evolve core components of the state-of-the-art Hybrid Genetic Search (HGS) algorithm, we discover novel heuristics that significantly outperform the original baseline. By steering the LLM to reason strategically about the exploration-exploitation trade-off, our approach discovers more effective and efficient heuristics applicable across a wide spectrum of VRP variants. Our results show that MEP discovers heuristics that yield significant performance gains over the original HGS baseline, improving solution quality by up to 2.70\% and reducing runtime by over 45\% on challenging VRP variants.

Jingwen Li, Zhiguang Cao, Yaoxin Wu et al.

Exploring machine learning techniques for addressing vehicle routing problems has attracted considerable research attention. To achieve decent and efficient solutions, existing deep models for vehicle routing problems are typically trained and evaluated using instances of a single size. This substantially limits their ability to generalize across different problem sizes and thus hampers their practical applicability. To address the issue, we propose a continual learning based framework that sequentially trains a deep model with instances of ascending problem sizes. Specifically, on the one hand, we design an inter-task regularization scheme to retain the knowledge acquired from smaller problem sizes in the model training on a larger size. On the other hand, we introduce an intra-task regularization scheme to consolidate the model by imitating the latest desirable behaviors during training on each size. Additionally, we exploit the experience replay to revisit instances of formerly trained sizes for mitigating the catastrophic forgetting. Experimental results show that our approach achieves predominantly superior performance across various problem sizes (either seen or unseen in the training), as compared to state-of-the-art deep models including the ones specialized for generalizability enhancement. Meanwhile, the ablation studies on the key designs manifest their synergistic effect in the proposed framework.

Xia Jiang, Yaoxin Wu, Minshuo Li et al.

Combinatorial optimization (CO) problems, central to decision-making scenarios like logistics and manufacturing, are traditionally solved using problem-specific algorithms requiring significant domain expertise. While large language models (LLMs) have shown promise in automating CO problem solving, existing approaches rely on intermediate steps such as code generation or solver invocation, limiting their generality and accessibility. This paper introduces a novel framework that empowers LLMs to serve as end-to-end CO solvers by directly mapping natural language problem descriptions to solutions. We propose a two-stage training strategy: supervised fine-tuning (SFT) imparts LLMs with solution generation patterns from domain-specific solvers, while a feasibility-and-optimality-aware reinforcement learning (FOARL) process explicitly mitigates constraint violations and refines solution quality. Evaluation across seven NP-hard CO problems shows that our method achieves a high feasibility rate and reduces the average optimality gap to 1.03-8.20% by tuning a 7B-parameter LLM, surpassing both general-purpose LLMs (e.g., GPT-4o), reasoning models (e.g., DeepSeek-R1), and domain-specific heuristics. Our method establishes a unified language-based pipeline for CO without extensive code execution or manual architectural adjustments for different problems, offering a general and language-driven alternative to traditional solver design while maintaining relative feasibility guarantees.

Dian Meng, Zhiguang Cao, Yaoxin Wu et al.

Recent neural heuristics for the Vehicle Routing Problem (VRP) primarily rely on node coordinates as input, which may be less effective in practical scenarios where real cost metrics-such as edge-based distances-are more relevant. To address this limitation, we introduce EFormer, an Edge-based Transformer model that uses edge as the sole input for VRPs. Our approach employs a precoder module with a mixed-score attention mechanism to convert edge information into temporary node embeddings. We also present a parallel encoding strategy characterized by a graph encoder and a node encoder, each responsible for processing graph and node embeddings in distinct feature spaces, respectively. This design yields a more comprehensive representation of the global relationships among edges. In the decoding phase, parallel context embedding and multi-query integration are used to compute separate attention mechanisms over the two encoded embeddings, facilitating efficient path construction. We train EFormer using reinforcement learning in an autoregressive manner. Extensive experiments on the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) reveal that EFormer outperforms established baselines on synthetic datasets, including large-scale and diverse distributions. Moreover, EFormer demonstrates strong generalization on real-world instances from TSPLib and CVRPLib. These findings confirm the effectiveness of EFormer's core design in solving VRPs.

Qi Li, Zhiguang Cao, Yining Ma et al.

Existing neural methods for the Travelling Salesman Problem (TSP) mostly aim at finding a single optimal solution. To discover diverse yet high-quality solutions for Multi-Solution TSP (MSTSP), we propose a novel deep reinforcement learning based neural solver, which is primarily featured by an encoder-decoder structured policy. Concretely, on the one hand, a Relativization Filter (RF) is designed to enhance the robustness of the encoder to affine transformations of the instances, so as to potentially improve the quality of the found solutions. On the other hand, a Multi-Attentive Adaptive Active Search (MA3S) is tailored to allow the decoders to strike a balance between the optimality and diversity. Experimental evaluations on benchmark instances demonstrate the superiority of our method over recent neural baselines across different metrics, and its competitive performance against state-of-the-art traditional heuristics with significantly reduced computational time, ranging from $1.3\times$ to $15\times$ faster. Furthermore, we demonstrate that our method can also be applied to the Capacitated Vehicle Routing Problem (CVRP).

Xiangjie Xiao, Cong Zhang, Wen Song et al.

Neural approaches to the Flexible Job Shop Scheduling Problem (FJSP), particularly those based on deep reinforcement learning (DRL), have gained growing attention in recent years. However, existing methods rely on complex feature-engineered state representations (i.e., often requiring more than 20 handcrafted features) and graph-biased neural architectures. To reduce modeling complexity and advance a more generalizable framework for FJSP, we introduce \textsc{ReSched}, a minimalist DRL framework that rethinks both the scheduling formulation and model design. First, by revisiting the Markov Decision Process (MDP) formulation of FJSP, we condense the state space to just four essential features, eliminating historical dependencies through a subproblem-based perspective. Second, we employ Transformer blocks with dot-product attention, augmented by three lightweight but effective architectural modifications tailored to scheduling tasks. Extensive experiments show that \textsc{ReSched} outperforms classical dispatching rules and state-of-the-art DRL methods on FJSP. Moreover, \textsc{ReSched} also generalizes well to the Job Shop Scheduling Problem (JSSP) and the Flexible Flow Shop Scheduling Problem (FFSP), achieving competitive performance against neural baselines specifically designed for these variants.

Zhiqin Zhang, Yining Ma, Zhiguang Cao et al.

Neural combinatorial optimization (NCO) has achieved remarkable performance, yet its learned model representations and decision rationale remain a black box. This impedes both academic research and practical deployment, since researchers and stakeholders require deeper insights into NCO models. In this paper, we take the first critical step towards interpreting NCO models by investigating their representations through various probing tasks. Moreover, we introduce a novel probing tool named Coefficient Significance Probing (CS-Probing) to enable deeper analysis of NCO representations by examining the coefficients and statistical significance during probing. Extensive experiments and analysis reveal that NCO models encode low-level information essential for solution construction, while capturing high-level knowledge to facilitate better decisions. Using CS-Probing, we find that prevalent NCO models impose varying inductive biases on their learned representations, uncover direct evidence related to model generalization, and identify key embedding dimensions associated with specific knowledge. These insights can be potentially translated into practice, for example, with minor code modifications, we improve the generalization of the analyzed model. Our work represents a first systematic attempt to interpret black-box NCO models, showcasing probing as a promising tool for analyzing their internal mechanisms and revealing insights for the NCO community. The source code is publicly available.