Fei Liu

Fu Luo, Xi Lin, Fei Liu et al.

Neural combinatorial optimization (NCO) is a promising learning-based approach for solving challenging combinatorial optimization problems without specialized algorithm design by experts. However, most constructive NCO methods cannot solve problems with large-scale instance sizes, which significantly diminishes their usefulness for real-world applications. In this work, we propose a novel Light Encoder and Heavy Decoder (LEHD) model with a strong generalization ability to address this critical issue. The LEHD model can learn to dynamically capture the relationships between all available nodes of varying sizes, which is beneficial for model generalization to problems of various scales. Moreover, we develop a data-efficient training scheme and a flexible solution construction mechanism for the proposed LEHD model. By training on small-scale problem instances, the LEHD model can generate nearly optimal solutions for the Travelling Salesman Problem (TSP) and the Capacitated Vehicle Routing Problem (CVRP) with up to 1000 nodes, and also generalizes well to solve real-world TSPLib and CVRPLib problems. These results confirm our proposed LEHD model can significantly improve the state-of-the-art performance for constructive NCO. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/LEHD.

Rui Zhang, Fei Liu, Xi Lin et al.

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.

Fei Liu, Xialiang Tong, Mingxuan Yuan et al.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

Fei Liu, Xi Lin, Zhenkun Wang et al.

Vehicle routing problems (VRPs), which can be found in numerous real-world applications, have been an important research topic for several decades. Recently, the neural combinatorial optimization (NCO) approach that leverages a learning-based model to solve VRPs without manual algorithm design has gained substantial attention. However, current NCO methods typically require building one model for each routing problem, which significantly hinders their practical application for real-world industry problems with diverse attributes. In this work, we make the first attempt to tackle the crucial challenge of cross-problem generalization. In particular, we formulate VRPs as different combinations of a set of shared underlying attributes and solve them simultaneously via a single model through attribute composition. In this way, our proposed model can successfully solve VRPs with unseen attribute combinations in a zero-shot generalization manner. Extensive experiments are conducted on eleven VRP variants, benchmark datasets, and industry logistic scenarios. The results show that the unified model demonstrates superior performance in the eleven VRPs, reducing the average gap to around 5% from over 20% in the existing approach and achieving a significant performance boost on benchmark datasets as well as a real-world logistics application. The source code is included in https://github.com/FeiLiu36/MTNCO.

Fei Liu, Xi Lin, Weiduo Liao et al.

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.

Fei Liu, Xialiang Tong, Mingxuan Yuan et al.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

Ping Guo, Cheng Gong, Xi Lin et al.

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. Our code is available at https://github.com/pgg3/MOS-Attack.

Xi Lin, Xiaoyuan Zhang, Zhiyuan Yang et al.

Multi-objective optimization problems can be found in many real-world applications, where the objectives often conflict each other and cannot be optimized by a single solution. In the past few decades, numerous methods have been proposed to find Pareto solutions that represent optimal trade-offs among the objectives for a given problem. However, these existing methods could have high computational complexity or may not have good theoretical properties for solving a general differentiable multi-objective optimization problem. In this work, by leveraging the smooth optimization technique, we propose a lightweight and efficient smooth Tchebycheff scalarization approach for gradient-based multi-objective optimization. It has good theoretical properties for finding all Pareto solutions with valid trade-off preferences, while enjoying significantly lower computational complexity compared to other methods. Experimental results on various real-world application problems fully demonstrate the effectiveness of our proposed method.

Ke Li, Fei Liu, Zhengkun Wang et al.

Recent advancements in Neural Combinatorial Optimization (NCO) have shown promise in solving routing problems like the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) without handcrafted designs. Research in this domain has explored two primary categories of methods: iterative and non-iterative. While non-iterative methods struggle to generate near-optimal solutions directly, iterative methods simplify the task by learning local search steps. However, existing iterative methods are often limited by restricted neighborhood searches, leading to suboptimal results. To address this limitation, we propose a novel approach that extends the search to larger neighborhoods by learning a destroy-and-repair strategy. Specifically, we introduce a Destroy-and-Repair framework based on Hyper-Graphs (DRHG). This framework reduces consecutive intact edges to hyper-edges, allowing the model to pay more attention to the destroyed part and decrease the complexity of encoding all nodes. Experiments demonstrate that DRHG achieves stateof-the-art performance on TSP with up to 10,000 nodes and shows strong generalization to real-world TSPLib and CVRPLib problems.

Ping Guo, Fei Liu, Xi Lin et al.

In the rapidly evolving field of machine learning, adversarial attacks present a significant challenge to model robustness and security. Decision-based attacks, which only require feedback on the decision of a model rather than detailed probabilities or scores, are particularly insidious and difficult to defend against. This work introduces L-AutoDA (Large Language Model-based Automated Decision-based Adversarial Attacks), a novel approach leveraging the generative capabilities of Large Language Models (LLMs) to automate the design of these attacks. By iteratively interacting with LLMs in an evolutionary framework, L-AutoDA automatically designs competitive attack algorithms efficiently without much human effort. We demonstrate the efficacy of L-AutoDA on CIFAR-10 dataset, showing significant improvements over baseline methods in both success rate and computational efficiency. Our findings underscore the potential of language models as tools for adversarial attack generation and highlight new avenues for the development of robust AI systems.

Ping Guo, Chenyu Zhu, Siyuan Chen et al.

CUDA kernel optimization has become a critical bottleneck for AI performance, as deep learning training and inference efficiency directly depends on highly optimized GPU kernels. Despite the promise of Large Language Models (LLMs) for automating kernel optimization, this field suffers from a fragmented ecosystem of isolated and incomparable approaches with unclear problem formulations. Furthermore, general-purpose LLM code evolution methods cannot meet strict correctness requirements of CUDA kernel optimization. We address these fundamental challenges by first formalizing CUDA kernel optimization as a code optimization task with a clear objective, constraints, and evaluation metrics. We then establish the first systematic LLM-based code evolution framework, EvoEngineer, that provides guidance for designing and adapting optimization strategies to achieve a balance between performance and correctness. Finally, we implement a kernel optimization system based on this framework and conduct extensive experiments on 91 real-world CUDA kernels. Our results demonstrate that EvoEngineer achieves a principled balance between performance and correctness, with the highest averaged median speedup of \textbf{2.72}$\times$ over baseline CUDA kernels and a code validity rate of \textbf{69.8}\%, outperforming existing methods on both dimensions. Our method achieves a maximum speedup of \textbf{36.75}$\times$ among all operations over PyTorch kernels and delivers the highest speedup on \textbf{28} (\textbf{56.0\%}) of 50 operations that achieve over \textbf{2$\times$} acceleration.

Han Li, Fei Liu, Zhenkun Wang et al.

Vehicle routing problems (VRPs) are central to combinatorial optimization with significant practical implications. Recent advancements in neural combinatorial optimization (NCO) have demonstrated promising results by leveraging neural networks to solve VRPs, yet the exploration of model scaling within this domain remains underexplored. Inspired by the success of model scaling in large language models (LLMs), this study introduces a Large Routing Model with 1 billion parameters (LRM-1B), designed to address diverse VRP scenarios. We present a comprehensive evaluation of LRM-1B across multiple problem variants, distributions, and sizes, establishing state-of-the-art results. Our findings reveal that LRM-1B not only adapts to different VRP challenges but also showcases superior performance, outperforming existing models. Additionally, we explore the scaling behavior of neural routing models from 1M to 1B parameters. Our analysis confirms power-law between multiple model factors and performance, offering critical insights into the optimal configurations for foundation neural routing solvers.