Rethinking Neural Combinatorial Optimization for Vehicle Routing Problems with Different Constraint Tightness Degrees

Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and proposes a multi-expert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performances on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees.

Enhanced Ideal Objective Vector Estimation for Evolutionary Multi-Objective Optimization

The ideal objective vector, which comprises the optimal values of the $m$ objective functions in an $m$-objective optimization problem, is an important concept in evolutionary multi-objective optimization. Accurate estimation of this vector has consistently been a crucial task, as it is frequently used to guide the search process and normalize the objective space. Prevailing estimation methods all involve utilizing the best value concerning each objective function achieved by the individuals in the current or accumulated population. However, this paper reveals that the population-based estimation method can only work on simple problems but falls short on problems with substantial bias. The biases in multi-objective optimization problems can be divided into three categories, and an analysis is performed to illustrate how each category hinders the estimation of the ideal objective vector. Subsequently, a set of test instances is proposed to quantitatively evaluate the impact of various biases on the ideal objective vector estimation method. Beyond that, a plug-and-play component called enhanced ideal objective vector estimation (EIE) is introduced for multi-objective evolutionary algorithms (MOEAs). EIE features adaptive and fine-grained searches over $m$ subproblems defined by the extreme weighted sum method. EIE finally outputs $m$ solutions that can well approximate the ideal objective vector. In the experiments, EIE is integrated into three representative MOEAs. To demonstrate the wide applicability of EIE, algorithms are tested not only on the newly proposed test instances but also on existing ones. The results consistently show that EIE improves the ideal objective vector estimation and enhances the MOEA's performance.

Learning to Insert for Constructive Neural Vehicle Routing Solver

Neural Combinatorial Optimisation (NCO) is a promising learning-based approach for solving Vehicle Routing Problems (VRPs) without extensive manual design. While existing constructive NCO methods typically follow an appending-based paradigm that sequentially adds unvisited nodes to partial solutions, this rigid approach often leads to suboptimal results. To overcome this limitation, we explore the idea of insertion-based paradigm and propose Learning to Construct with Insertion-based Paradigm (L2C-Insert), a novel learning-based method for constructive NCO. Unlike traditional approaches, L2C-Insert builds solutions by strategically inserting unvisited nodes at any valid position in the current partial solution, which can significantly enhance the flexibility and solution quality. The proposed framework introduces three key components: a novel model architecture for precise insertion position prediction, an efficient training scheme for model optimization, and an advanced inference technique that fully exploits the insertion paradigm's flexibility. Extensive experiments on both synthetic and real-world instances of the Travelling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) demonstrate that L2C-Insert consistently achieves superior performance across various problem sizes.

Weak Pareto Boundary: The Achilles' Heel of Evolutionary Multi-Objective Optimization

The weak Pareto boundary ($WPB$) refers to a boundary in the objective space of a multi-objective optimization problem, characterized by weak Pareto optimality rather than Pareto optimality. The $WPB$ brings severe challenges to multi-objective evolutionary algorithms (MOEAs), as it may mislead the algorithms into finding dominance-resistant solutions (DRSs), i.e., solutions that excel on some objectives but severely underperform on the others, thereby missing Pareto-optimal solutions. Although the severe impact of the $WPB$ on MOEAs has been recognized, a systematic and detailed analysis remains lacking. To fill this gap, this paper studies the attributes of the $WPB$. In particular, the category of a $WPB$, as an attribute derived from its weakly Pareto-optimal property, is theoretically analyzed. The analysis reveals that the dominance resistance degrees of DRSs induced by different categories of $WPB$s exhibit distinct asymptotic growth rates as the DRSs in the objective space approach the $WPB$s, where a steeper asymptotic growth rate indicates a greater hindrance to MOEAs. Beyond that, experimental studies are conducted on various new test problems to investigate the impact of $WPB$'s attributes. The experimental results demonstrate consistency with our theoretical findings. Experiments on other attributes show that the performance of an MOEA is highly sensitive to some attributes. Overall, no existing MOEAs can comprehensively address challenges brought by these attributes.

L2R: Learning to Reduce Search Space for Generalizable Neural Routing Solver

Constructive neural combinatorial optimization (NCO) has attracted growing research attention due to its ability to solve complex routing problems without relying on handcrafted rules. However, existing NCO methods face significant challenges in generalizing to large-scale problems due to high computational complexity and inefficient capture of structural patterns. To address this issue, we propose a novel learning-based search space reduction method that adaptively selects a small set of promising candidate nodes at each step of the constructive NCO process. Unlike traditional methods that rely on fixed heuristics, our selection model dynamically prioritizes nodes based on learned patterns, significantly reducing the search space while maintaining solution quality. Experimental results demonstrate that our method, trained solely on 100-node instances from uniform distribution, generalizes remarkably well to large-scale Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) instances with up to 1 million nodes from the uniform distribution and over 80K nodes from other distributions.

ARS: Automatic Routing Solver with Large Language Models

Real-world Vehicle Routing Problems (VRPs) are characterized by a variety of practical constraints, making manual solver design both knowledge-intensive and time-consuming. Although there is increasing interest in automating the design of routing algorithms, existing research has explored only a limited array of VRP variants and fails to adequately address the complex and prevalent constraints encountered in real-world situations. To fill this gap, this paper introduces RoutBench, a benchmark of 1,000 VRP variants derived from 24 attributes, for evaluating the effectiveness of automatic routing solvers in addressing complex constraints. Along with RoutBench, we present the Automatic Routing Solver (ARS), which employs Large Language Model (LLM) agents to enhance a backbone algorithm framework by automatically generating constraint-aware heuristic code, based on problem descriptions and several representative constraints selected from a database. Our experiments show that ARS outperforms state-of-the-art LLM-based methods and commonly used solvers, automatically solving 91.67% of common VRPs and achieving at least a 30% improvement across all benchmarks.

Monte Carlo Tree Search for Comprehensive Exploration in LLM-Based Automatic Heuristic Design

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

MOS-Attack: A Scalable Multi-objective Adversarial Attack Framework

Crafting adversarial examples is crucial for evaluating and enhancing the robustness of Deep Neural Networks (DNNs), presenting a challenge equivalent to maximizing a non-differentiable 0-1 loss function. However, existing single objective methods, namely adversarial attacks focus on a surrogate loss function, do not fully harness the benefits of engaging multiple loss functions, as a result of insufficient understanding of their synergistic and conflicting nature. To overcome these limitations, we propose the Multi-Objective Set-based Attack (MOS Attack), a novel adversarial attack framework leveraging multiple loss functions and automatically uncovering their interrelations. The MOS Attack adopts a set-based multi-objective optimization strategy, enabling the incorporation of numerous loss functions without additional parameters. It also automatically mines synergistic patterns among various losses, facilitating the generation of potent adversarial attacks with fewer objectives. Extensive experiments have shown that our MOS Attack outperforms single-objective attacks. Furthermore, by harnessing the identified synergistic patterns, MOS Attack continues to show superior results with a reduced number of loss functions.

LLM4AD: A Platform for Algorithm Design with Large Language Model

We introduce LLM4AD, a unified Python platform for algorithm design (AD) with large language models (LLMs). LLM4AD is a generic framework with modularized blocks for search methods, algorithm design tasks, and LLM interface. The platform integrates numerous key methods and supports a wide range of algorithm design tasks across various domains including optimization, machine learning, and scientific discovery. We have also designed a unified evaluation sandbox to ensure a secure and robust assessment of algorithms. Additionally, we have compiled a comprehensive suite of support resources, including tutorials, examples, a user manual, online resources, and a dedicated graphical user interface (GUI) to enhance the usage of LLM4AD. We believe this platform will serve as a valuable tool for fostering future development in the merging research direction of LLM-assisted algorithm design.

CaDA: Cross-Problem Routing Solver with Constraint-Aware Dual-Attention

Vehicle Routing Problems (VRPs) are significant Combinatorial Optimization (CO) problems holding substantial practical importance. Recently, Neural Combinatorial Optimization (NCO), which involves training deep learning models on extensive data to learn vehicle routing heuristics, has emerged as a promising approach due to its efficiency and the reduced need for manual algorithm design. However, applying NCO across diverse real-world scenarios with various constraints necessitates cross-problem capabilities. Current NCO methods typically employ a unified model lacking a constraint-specific structure, thereby restricting their cross-problem performance. Current multi-task methods for VRPs typically employ a constraint-unaware model, limiting their cross-problem performance. Furthermore, they rely solely on global connectivity, which fails to focus on key nodes and leads to inefficient representation learning. This paper introduces a Constraint-Aware Dual-Attention Model (CaDA), designed to address these limitations. CaDA incorporates a constraint prompt that efficiently represents different problem variants. Additionally, it features a dual-attention mechanism with a global branch for capturing broader graph-wide information and a sparse branch that selectively focuses on the most relevant nodes. We comprehensively evaluate our model on 16 different VRPs and compare its performance against existing cross-problem VRP solvers. CaDA achieves state-of-the-art results across all the VRPs. Our ablation study further confirms that each component of CaDA contributes positively to its cross-problem learning performance.