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.

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.