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Ke Xue 0001

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8 papers
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8

ICML Conference 2025 Conference Paper

Neural Solver Selection for Combinatorial Optimization

  • Chengrui Gao
  • Haopu Shang
  • Ke Xue 0001
  • Chao Qian 0001

Machine learning has increasingly been employed to solve NP-hard combinatorial optimization problems, resulting in the emergence of neural solvers that demonstrate remarkable performance, even with minimal domain-specific knowledge. To date, the community has created numerous open-source neural solvers with distinct motivations and inductive biases. While considerable efforts are devoted to designing powerful single solvers, our findings reveal that existing solvers typically demonstrate complementary performance across different problem instances. This suggests that significant improvements could be achieved through effective coordination of neural solvers at the instance level. In this work, we propose the first general framework to coordinate the neural solvers, which involves feature extraction, selection model, and selection strategy, aiming to allocate each instance to the most suitable solvers. To instantiate, we collect several typical neural solvers with state-of-the-art performance as alternatives, and explore various methods for each component of the framework. We evaluated our framework on two typical problems, Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP). Experimental results show that our framework can effectively distribute instances and the resulting composite solver can achieve significantly better performance (e. g. , reduce the optimality gap by 0. 88% on TSPLIB and 0. 71% on CVRPLIB) than the best individual neural solver with little extra time cost.

ICLR Conference 2025 Conference Paper

Offline Model-Based Optimization by Learning to Rank

  • Rong-Xi Tan
  • Ke Xue 0001
  • Shen-Huan Lyu
  • Haopu Shang
  • Yao Wang
  • Yaoyuan Wang
  • Sheng Fu
  • Chao Qian 0001

Offline model-based optimization (MBO) aims to identify a design that maximizes a black-box function using only a fixed, pre-collected dataset of designs and their corresponding scores. This problem has garnered significant attention from both scientific and industrial domains. A common approach in offline MBO is to train a regression-based surrogate model by minimizing mean squared error (MSE) and then find the best design within this surrogate model by different optimizers (e.g., gradient ascent). However, a critical challenge is the risk of out-of-distribution errors, i.e., the surrogate model may typically overestimate the scores and mislead the optimizers into suboptimal regions. Prior works have attempted to address this issue in various ways, such as using regularization techniques and ensemble learning to enhance the robustness of the model, but it still remains. In this paper, we argue that regression models trained with MSE are not well-aligned with the primary goal of offline MBO, which is to \textit{select} promising designs rather than to predict their scores precisely. Notably, if a surrogate model can maintain the order of candidate designs based on their relative score relationships, it can produce the best designs even without precise predictions. To validate it, we conduct experiments to compare the relationship between the quality of the final designs and MSE, finding that the correlation is really very weak. In contrast, a metric that measures order-maintaining quality shows a significantly stronger correlation. Based on this observation, we propose learning a ranking-based model that leverages learning to rank techniques to prioritize promising designs based on their relative scores. We show that the generalization error on ranking loss can be well bounded. Empirical results across diverse tasks demonstrate the superior performance of our proposed ranking-based method than twenty existing methods. Our implementation is available at \url{https://github.com/lamda-bbo/Offline-RaM}.

ICML Conference 2025 Conference Paper

Towards Universal Offline Black-Box Optimization via Learning Language Model Embeddings

  • Rong-Xi Tan
  • Ming Chen
  • Ke Xue 0001
  • Yao Wang
  • Yaoyuan Wang
  • Sheng Fu
  • Chao Qian 0001

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered by the lack of unified representations for heterogeneous numerical spaces. Thus, existing offline BBO approaches are constrained to single-task and fixed-dimensional settings, failing to achieve cross-domain universal optimization. Recent advances in language models (LMs) offer a promising path forward: their embeddings capture latent relationships in a unifying way, enabling universal optimization across different data types possible. In this paper, we discuss multiple potential approaches, including an end-to-end learning framework in the form of next-token prediction, as well as prioritizing the learning of latent spaces with strong representational capabilities. To validate the effectiveness of these methods, we collect offline BBO tasks and data from open-source academic works for training. Experiments demonstrate the universality and effectiveness of our proposed methods. Our findings suggest that unifying language model priors and learning string embedding space can overcome traditional barriers in universal BBO, paving the way for general-purpose BBO algorithms. The code is provided at https: //github. com/lamda-bbo/universal-offline-bbo.

ICML Conference 2024 Conference Paper

Offline Multi-Objective Optimization

  • Ke Xue 0001
  • Rong-Xi Tan
  • Xiaobin Huang
  • Chao Qian 0001

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems entail optimizing multiple conflicting objectives, i. e. , multi-objective optimization (MOO). Nevertheless, offline MOO has not progressed as much as offline single-objective optimization (SOO), mainly due to the lack of benchmarks like Design-Bench for SOO. To bridge this gap, we propose a first benchmark for offline MOO, covering a range of problems from synthetic to real-world tasks. This benchmark provides tasks, datasets, and open-source examples, which can serve as a foundation for method comparisons and advancements in offline MOO. Furthermore, we analyze how the current related methods can be adapted to offline MOO from four fundamental perspectives, including data, model architecture, learning algorithm, and search algorithm. Empirical results show improvements over the best value of the training set, demonstrating the effectiveness of offline MOO methods. As no particular method stands out significantly, there is still an open challenge in further enhancing the effectiveness of offline MOO. We finally discuss future challenges for offline MOO, with the hope of shedding some light on this emerging field. Our code is available at https: //github. com/lamda-bbo/offline-moo.

ICML Conference 2024 Conference Paper

Quality-Diversity with Limited Resources

  • Ren-Jian Wang
  • Ke Xue 0001
  • Cong Guan
  • Chao Qian 0001

Quality-Diversity (QD) algorithms have emerged as a powerful optimization paradigm with the aim of generating a set of high-quality and diverse solutions. To achieve such a challenging goal, QD algorithms require maintaining a large archive and a large population in each iteration, which brings two main issues, sample and resource efficiency. Most advanced QD algorithms focus on improving the sample efficiency, while the resource efficiency is overlooked to some extent. Particularly, the resource overhead during the training process has not been touched yet, hindering the wider application of QD algorithms. In this paper, we highlight this important research question, i. e. , how to efficiently train QD algorithms with limited resources, and propose a novel and effective method called RefQD to address it. RefQD decomposes a neural network into representation and decision parts, and shares the representation part with all decision parts in the archive to reduce the resource overhead. It also employs a series of strategies to address the mismatch issue between the old decision parts and the newly updated representation part. Experiments on different types of tasks from small to large resource consumption demonstrate the excellent performance of RefQD: it not only uses significantly fewer resources (e. g. , 16% GPU memories on QDax and 3. 7% on Atari) but also achieves comparable or better performance compared to sample-efficient QD algorithms. Our code is available at https: //github. com/lamda-bbo/RefQD.

ICLR Conference 2024 Conference Paper

Sample-Efficient Quality-Diversity by Cooperative Coevolution

  • Ke Xue 0001
  • Ren-Jian Wang
  • Pengyi Li 0001
  • Dong Li 0016
  • Jianye Hao
  • Chao Qian 0001

Quality-Diversity (QD) algorithms, as a subset of evolutionary algorithms, have emerged as a powerful optimization paradigm with the aim of generating a set of high-quality and diverse solutions. Although QD has demonstrated competitive performance in reinforcement learning, its low sample efficiency remains a significant impediment for real-world applications. Recent research has primarily focused on augmenting sample efficiency by refining selection and variation operators of QD. However, one of the less considered yet crucial factors is the inherently large-scale issue of the QD optimization problem. In this paper, we propose a novel Cooperative Coevolution QD (CCQD) framework, which decomposes a policy network naturally into two types of layers, corresponding to representation and decision respectively, and thus simplifies the problem significantly. The resulting two (representation and decision) subpopulations are coevolved cooperatively. CCQD can be implemented with different selection and variation operators. Experiments on several popular tasks within the QDAX suite demonstrate that an instantiation of CCQD achieves approximately a 200% improvement in sample efficiency.

UAI Conference 2023 Conference Paper

Fast Teammate Adaptation in the Presence of Sudden Policy Change

  • Ziqian Zhang
  • Lei Yuan 0005
  • Lihe Li
  • Ke Xue 0001
  • Chengxing Jia
  • Cong Guan
  • Chao Qian 0001
  • Yang Yu 0001

Cooperative multi-agent reinforcement learning (MARL), where agents coordinates with teammate(s) for a shared goal, may sustain non-stationary caused by the policy change of teammates. Prior works mainly concentrate on the policy change cross episodes, ignoring the fact that teammates may suffer from sudden policy change within an episode, which might lead to miscoordination and poor performance. We formulate the problem as an open Dec-POMDP, where we control some agents to coordinate with uncontrolled teammates, whose policies could be changed within one episode. Then we develop a new framework \textit{\textbf{Fas}t \textbf{t}eammates \textbf{a}da\textbf{p}tation (\textbf{Fastap})} to address the problem. Concretely, we first train versatile teammates’ policies and assign them to different clusters via the Chinese Restaurant Process (CRP). Then, we train the controlled agent(s) to coordinate with the sampled uncontrolled teammates by capturing their identifications as context for fast adaptation. Finally, each agent applies its local information to anticipate the teammates’ context for decision-making accordingly. This process proceeds alternately, leading to a robust policy that can adapt to any teammates during the decentralized execution phase. We show in multiple multi-agent benchmarks that Fastap can achieve superior performance than multiple baselines in stationary and non-stationary scenarios.

ICLR Conference 2022 Conference Paper

Evolutionary Diversity Optimization with Clustering-based Selection for Reinforcement Learning

  • Yutong Wang
  • Ke Xue 0001
  • Chao Qian 0001

Reinforcement Learning (RL) has achieved significant successes, which aims to obtain a single policy maximizing the expected cumulative rewards for a given task. However, in many real-world scenarios, e.g., navigating in complex environments and controlling robots, one may need to find a set of policies having both high rewards and diverse behaviors, which can bring better exploration and robust few-shot adaptation. Recently, some methods have been developed by using evolutionary techniques, including iterative reproduction and selection of policies. However, due to the inefficient selection mechanisms, these methods cannot fully guarantee both high quality and diversity. In this paper, we propose EDO-CS, a new Evolutionary Diversity Optimization algorithm with Clustering-based Selection. In each iteration, the policies are divided into several clusters based on their behaviors, and a high-quality policy is selected from each cluster for reproduction. EDO-CS also adaptively balances the importance between quality and diversity in the reproduction process. Experiments on various (i.e., deceptive and multi-modal) continuous control tasks, show the superior performance of EDO-CS over previous methods, i.e., EDO-CS can achieve a set of policies with both high quality and diversity efficiently while previous methods cannot.

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