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Offline black-box optimization (BBO) aims to find optimal designs based solely on an offline dataset of designs and their labels. Such scenarios frequently arise in domains like DNA sequence design and robotics, where only a few labeled…

Computational Engineering, Finance, and Science · Computer Science 2026-01-22 Ye Yuan , Can , Chen , Zipeng Sun , Dinghuai Zhang , Christopher Pal , Xue Liu

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…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

The goal of offline black-box optimization (BBO) is to optimize an expensive black-box function using a fixed dataset of function evaluations. Prior works consider forward approaches that learn surrogates to the black-box function and…

Machine Learning · Computer Science 2023-08-22 Siddarth Krishnamoorthy , Satvik Mehul Mashkaria , Aditya Grover

Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forward approaches such as Gaussian Processes (GPs) to learn a…

Machine Learning · Computer Science 2025-02-04 Dongxia Wu , Nikki Lijing Kuang , Ruijia Niu , Yi-An Ma , Rose Yu

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. These tasks span various domains, such as robotics, material design, and protein and molecular…

Machine Learning · Computer Science 2025-04-18 Ye Yuan , Youyuan Zhang , Can Chen , Haolun Wu , Zixuan Li , Jianmo Li , James J. Clark , Xue Liu

Benchmark Design in Black-Box Optimization (BBO) is a fundamental yet open-ended topic. Early BBO benchmarks are predominantly human-crafted, introducing expert bias and constraining diversity. Automating this design process can relieve the…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Chen Wang , Sijie Ma , Zeyuan Ma , Yue-Jiao Gong

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang

Black-box prompt tuning employs derivative-free optimization algorithms to learn prompts within low-dimensional subspaces rather than back-propagating through the network of Large Language Models (LLMs). Recent studies reveal that black-box…

Computation and Language · Computer Science 2024-06-18 Yuanhang Zheng , Zhixing Tan , Peng Li , Yang Liu

Black-box optimization (BBO) addresses problems where objectives are accessible only through costly queries without gradients or explicit structure. Classical derivative-free methods -- line search, direct search, and model-based solvers…

Machine Learning · Computer Science 2025-10-01 Morteza Kimiaei , Vyacheslav Kungurtsev

Large language models (LLMs) have shown increasing power on various natural language processing (NLP) tasks. However, tuning these models for downstream tasks usually needs exorbitant costs or is unavailable due to commercial…

Computation and Language · Computer Science 2024-05-07 Qiushi Sun , Chengcheng Han , Nuo Chen , Renyu Zhu , Jingyang Gong , Xiang Li , Ming Gao

In offline model-based optimization, we strive to maximize a black-box objective function by only leveraging a static dataset of designs and their scores. This problem setting arises in numerous fields including the design of materials,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-07 Can Chen , Yingxue Zhang , Jie Fu , Xue Liu , Mark Coates

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots and DNA sequences. A common approach…

Computational Engineering, Finance, and Science · Computer Science 2023-10-11 Can Chen , Christopher Beckham , Zixuan Liu , Xue Liu , Christopher Pal

Diffusion Language Models (DLMs) have recently emerged as a promising alternative to autoregressive language models, offering stronger global awareness and highly parallel generation. However, post-training DLMs with standard Negative…

Computation and Language · Computer Science 2026-05-19 Kecheng Chen , Ziru Liu , Xijia Tao , Hui Liu , Yibing Liu , Xinyu Fu , Shi Wu , Suiyun Zhang , Dandan Tu , Lingpeng Kong , Rui Liu , Haoliang Li

Optimizing complex and high-dimensional black-box functions is ubiquitous in science and engineering fields. Unfortunately, the online evaluation of these functions is restricted due to time and safety constraints in most cases. In offline…

Machine Learning · Computer Science 2024-07-03 Taeyoung Yun , Sujin Yun , Jaewoo Lee , Jinkyoo Park

We propose a diffusion-based framework for prompt optimization that leverages Diffusion Language Models (DLMs) to iteratively refine system prompts through masked denoising. By conditioning on interaction traces, including user queries,…

Computation and Language · Computer Science 2026-02-24 Shiyu Wang , Haolin Chen , Liangwei Yang , Jielin Qiu , Rithesh Murthy , Ming Zhu , Zixiang Chen , Silvio Savarese , Caiming Xiong , Shelby Heinecke , Huan Wang

Large language models (LLMs) have shown impressive success in various applications. However, these models are often not well aligned with human intents, which calls for additional treatments on them; that is, the alignment problem. To make…

Computation and Language · Computer Science 2024-06-24 Jiale Cheng , Xiao Liu , Kehan Zheng , Pei Ke , Hongning Wang , Yuxiao Dong , Jie Tang , Minlie Huang

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 Can Chen , Yingxue Zhang , Xue Liu , Mark Coates

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their…

Machine Learning · Computer Science 2026-03-04 Qi Huang , Furong Ye , Ananta Shahane , Thomas Bäck , Niki van Stein

The increasing scale of general-purpose Pre-trained Language Models (PLMs) necessitates the study of more efficient adaptation across different downstream tasks. In this paper, we establish a Black-box Discrete Prompt Learning (BDPL) to…

Computation and Language · Computer Science 2023-02-24 Shizhe Diao , Zhichao Huang , Ruijia Xu , Xuechun Li , Yong Lin , Xiao Zhou , Tong Zhang
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