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Sheng Fu

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3 papers

2 author rows

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}.

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NeurIPS Conference 2025 Conference Paper

Sequential Multi-Agent Dynamic Algorithm Configuration

Chen Lu
Ke Xue
Lei Yuan
Yao Wang
Yaoyuan Wang
Sheng Fu
Chao Qian

The performance of an algorithm often critically depends on its hyperparameter configuration. Dynamic algorithm configuration (DAC) is a recent trend in automated machine learning, which can dynamically adjust the algorithm’s configuration during the execution process and relieve users from tedious trial-and-error tuning tasks. Recently, multi-agent reinforcement learning (MARL) approaches have improved the configuration of multiple heterogeneous hyperparameters, making various parameter configurations for complex algorithms possible. However, many complex algorithms have inherent inter-dependencies among multiple parameters (e. g. , determining the operator type first and then the operator's parameter), which are, however, not considered in previous approaches, thus leading to sub-optimal results. In this paper, we propose the sequential multi-agent DAC (Seq-MADAC) framework to address this issue by considering the inherent inter-dependencies of multiple parameters. Specifically, we propose a sequential advantage decomposition network, which can leverage action-order information through sequential advantage decomposition. Experiments from synthetic functions to the configuration of multi-objective optimization algorithms demonstrate Seq-MADAC's superior performance over state-of-the-art MARL methods and show strong generalization across problem classes. Seq-MADAC establishes a new paradigm for the widespread dependency-aware automated algorithm configuration. Our code is available at https: //github. com/lamda-bbo/seq-madac.

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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.

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