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.

AutoTurb: Using Large Language Models for Automatic Algebraic Model Discovery of Turbulence Closure

Symbolic regression (SR) methods have been extensively investigated to explore explicit algebraic Reynolds stress models (EARSM) for turbulence closure of Reynolds-averaged Navier-Stokes (RANS) equations. The deduced EARSM can be readily implemented in existing computational fluid dynamic (CFD) codes and promotes the identification of physically interpretable turbulence models. The existing SR methods, such as genetic programming, sparse regression, or artificial neural networks, require user-defined functional operators, a library of candidates, or complex optimization algorithms. In this work, a novel framework using LLMs to automatically discover algebraic expressions for correcting the RSM is proposed. The direct observation of Reynolds stress and the indirect output of the CFD simulation are both involved in the training process to guarantee data consistency and avoid numerical stiffness. Constraints of functional complexity and convergence are supplementally imposed in the objective function on account of the tremendous flexibility of LLMs. The evolutionary search is employed for global optimization. The proposed method is performed for separated flow over periodic hills at Re = 10,595. The generalizability of the discovered model is verified on a set of 2D turbulent separated flow configurations with different Reynolds numbers and geometries. It is demonstrated that the corrective RANS can improve the prediction for both the Reynolds stress and mean velocity fields. Compared with algebraic models discovered by other works, the discovered model performs better in accuracy and generalization capability. The proposed approach provides a promising paradigm for using LLMs to improve turbulence modeling for a given class of flows.

Multi-objective Evolution of Heuristic Using Large Language Model

Heuristics are commonly used to tackle diverse search and optimization problems. Design heuristics usually require tedious manual crafting with domain knowledge. Recent works have incorporated large language models (LLMs) into automatic heuristic search leveraging their powerful language and coding capacity. However, existing research focuses on the optimal performance on the target problem as the sole objective, neglecting other criteria such as efficiency and scalability, which are vital in practice. To tackle this challenge, we propose to model heuristic search as a multi-objective optimization problem and consider introducing other practical criteria beyond optimal performance. Due to the complexity of the search space, conventional multi-objective optimization methods struggle to effectively handle multi-objective heuristic search. We propose the first LLM-based multi-objective heuristic search framework, Multi-objective Evolution of Heuristic (MEoH), which integrates LLMs in a zero-shot manner to generate a non-dominated set of heuristics to meet multiple design criteria. We design a new dominance-dissimilarity mechanism for effective population management and selection, which incorporates both code dissimilarity in the search space and dominance in the objective space. MEoH is demonstrated in two well-known combinatorial optimization problems: the online Bin Packing Problem (BPP) and the Traveling Salesman Problem (TSP). Results indicate that a variety of elite heuristics are automatically generated in a single run, offering more trade-off options than existing methods. It successfully achieves competitive or superior performance while improving efficiency up to 10 times. Moreover, we also observe that the multi-objective search introduces novel insights into heuristic design and leads to the discovery of diverse heuristics.

LibMOON: A Gradient-based MultiObjective OptimizatioN Library in PyTorch

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar objective, MOPs aim to optimize for the so-called Pareto optimality or Pareto set learning, which involves optimizing more than one objective function simultaneously, over models with millions of parameters. Existing benchmark libraries for MOPs mainly focus on evolutionary algorithms, most of which are zeroth-order methods that do not effectively utilize higher-order information from objectives and cannot scale to large-scale models with millions of parameters. In light of the above gap, this paper introduces LibMOON, the first multiobjective optimization library that supports state-of-the-art gradient-based methods, provides a fair benchmark, and is open-sourced for the community.

Understanding the Importance of Evolutionary Search in Automated Heuristic Design with Large Language Models

Automated heuristic design (AHD) has gained considerable attention for its potential to automate the development of effective heuristics. The recent advent of large language models (LLMs) has paved a new avenue for AHD, with initial efforts focusing on framing AHD as an evolutionary program search (EPS) problem. However, inconsistent benchmark settings, inadequate baselines, and a lack of detailed component analysis have left the necessity of integrating LLMs with search strategies and the true progress achieved by existing LLM-based EPS methods to be inadequately justified. This work seeks to fulfill these research queries by conducting a large-scale benchmark comprising four LLM-based EPS methods and four AHD problems across nine LLMs and five independent runs. Our extensive experiments yield meaningful insights, providing empirical grounding for the importance of evolutionary search in LLM-based AHD approaches, while also contributing to the advancement of future EPS algorithmic development. To foster accessibility and reproducibility, we have fully open-sourced our benchmark and corresponding results.

UDC: A Unified Neural Divide-and-Conquer Framework for Large-Scale Combinatorial Optimization Problems

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without needing expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods with divide-and-conquer strategies have shown superiorities in addressing large-scale CO problems. Nevertheless, the efficiency of these methods highly relies on problem-specific heuristics in either the divide or the conquer procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, which often leads to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global dividing and a fixed-length sub-path solver for conquering sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems.

Few for Many: Tchebycheff Set Scalarization for Many-Objective Optimization

Multi-objective optimization can be found in many real-world applications where some conflicting objectives can not be optimized by a single solution. Existing optimization methods often focus on finding a set of Pareto solutions with different optimal trade-offs among the objectives. However, the required number of solutions to well approximate the whole Pareto optimal set could be exponentially large with respect to the number of objectives, which makes these methods unsuitable for handling many optimization objectives. In this work, instead of finding a dense set of Pareto solutions, we propose a novel Tchebycheff set scalarization method to find a few representative solutions (e.g., 5) to cover a large number of objectives (e.g., $>100$) in a collaborative and complementary manner. In this way, each objective can be well addressed by at least one solution in the small solution set. In addition, we further develop a smooth Tchebycheff set scalarization approach for efficient optimization with good theoretical guarantees. Experimental studies on different problems with many optimization objectives demonstrate the effectiveness of our proposed method.

DPN: Decoupling Partition and Navigation for Neural Solvers of Min-max Vehicle Routing Problems

The min-max vehicle routing problem (min-max VRP) traverses all given customers by assigning several routes and aims to minimize the length of the longest route. Recently, reinforcement learning (RL)-based sequential planning methods have exhibited advantages in solving efficiency and optimality. However, these methods fail to exploit the problem-specific properties in learning representations, resulting in less effective features for decoding optimal routes. This paper considers the sequential planning process of min-max VRPs as two coupled optimization tasks: customer partition for different routes and customer navigation in each route (i.e., partition and navigation). To effectively process min-max VRP instances, we present a novel attention-based Partition-and-Navigation encoder (P&N Encoder) that learns distinct embeddings for partition and navigation. Furthermore, we utilize an inherent symmetry in decoding routes and develop an effective agent-permutation-symmetric (APS) loss function. Experimental results demonstrate that the proposed Decoupling-Partition-Navigation (DPN) method significantly surpasses existing learning-based methods in both single-depot and multi-depot min-max VRPs. Our code is available at

Prompt Learning for Generalized Vehicle Routing

Neural combinatorial optimization (NCO) is a promising learning-based approach to solving various vehicle routing problems without much manual algorithm design. However, the current NCO methods mainly focus on the in-distribution performance, while the real-world problem instances usually come from different distributions. A costly fine-tuning approach or generalized model retraining from scratch could be needed to tackle the out-of-distribution instances. Unlike the existing methods, this work investigates an efficient prompt learning approach in NCO for cross-distribution adaptation. To be concrete, we propose a novel prompt learning method to facilitate fast zero-shot adaptation of a pre-trained model to solve routing problem instances from different distributions. The proposed model learns a set of prompts among various distributions and then selects the best-matched one to prompt a pre-trained attention model for each problem instance. Extensive experiments show that the proposed prompt learning approach facilitates the fast adaptation of pre-trained routing models. It also outperforms existing generalized models on both in-distribution prediction and zero-shot generalization to a diverse set of new tasks. Our code implementation is available online https://github.com/FeiLiu36/PromptVRP.

Instance-Conditioned Adaptation for Large-scale Generalization of Neural Combinatorial Optimization

The neural combinatorial optimization (NCO) approach has shown great potential for solving routing problems without the requirement of expert knowledge. However, existing constructive NCO methods cannot directly solve large-scale instances, which significantly limits their application prospects. To address these crucial shortcomings, this work proposes a novel Instance-Conditioned Adaptation Model (ICAM) for better large-scale generalization of neural combinatorial optimization. In particular, we design a powerful yet lightweight instance-conditioned adaptation module for the NCO model to generate better solutions for instances across different scales. In addition, we develop an efficient three-stage reinforcement learning-based training scheme that enables the model to learn cross-scale features without any labeled optimal solution. Experimental results show that our proposed method is capable of obtaining excellent results with a very fast inference time in solving Traveling Salesman Problems (TSPs) and Capacitated Vehicle Routing Problems (CVRPs) across different scales. To the best of our knowledge, our model achieves state-of-the-art performance among all RL-based constructive methods for TSP and CVRP with up to 1,000 nodes.