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Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

Bayesian Optimization critically depends on the choice of acquisition function, but no single strategy is universally optimal; the best choice is non-stationary and problem-dependent. Existing adaptive portfolio methods often base their…

Machine Learning · Computer Science 2026-02-10 Giang Ngo , Dat Phan Trong , Dang Nguyen , Sunil Gupta , Svetha Venkatesh

The Bin Packing Problem (BPP) is a well-established combinatorial optimization (CO) problem. Since it has many applications in our daily life, e.g. logistics and resource allocation, people are seeking efficient bin packing algorithms. On…

Machine Learning · Computer Science 2023-12-14 Wenjie Wu , Changjun Fan , Jincai Huang , Zhong Liu , Junchi Yan

The Contrastive Language-Image Pre-training (CLIP) framework has become a widely used approach for multimodal representation learning, particularly in image-text retrieval and clustering. However, its efficacy is constrained by three key…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Tiancheng Gu , Kaicheng Yang , Ziyong Feng , Xingjun Wang , Yanzhao Zhang , Dingkun Long , Yingda Chen , Weidong Cai , Jiankang Deng

Robust optimization is becoming increasingly important in machine learning applications. In this paper, we study a unified framework of robust submodular optimization. We study this problem both from a minimization and maximization…

Machine Learning · Computer Science 2021-03-22 Rishabh Iyer

Federated learning is an important framework in modern machine learning that seeks to integrate the training of learning models from multiple users, each user having their own local data set, in a way that is sensitive to data privacy and…

Machine Learning · Computer Science 2023-05-05 Jose A. Carrillo , Nicolas Garcia Trillos , Sixu Li , Yuhua Zhu

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

Large language models (LLMs) have achieved remarkable advancements in natural language processing, showcasing exceptional performance across various tasks. However, the expensive memory and computational requirements present significant…

Artificial Intelligence · Computer Science 2025-11-13 Ruihao Gong , Yifu Ding , Zining Wang , Chengtao Lv , Xingyu Zheng , Jinyang Du , Haotong Qin , Jinyang Guo , Michele Magno , Xianglong Liu

We present UniBind, a flexible and efficient approach that learns a unified representation space for seven diverse modalities -- images, text, audio, point cloud, thermal, video, and event data. Existing works, eg., ImageBind, treat the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-20 Yuanhuiyi Lyu , Xu Zheng , Jiazhou Zhou , Lin Wang

Bayesian optimisation is a popular method for efficient optimisation of expensive black-box functions. Traditionally, BO assumes that the search space is known. However, in many problems, this assumption does not hold. To this end, we…

Machine Learning · Statistics 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Huong Ha , Svetha Venkatesh

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

Machine Learning · Statistics 2023-11-21 Leonardo D. González , Victor M. Zavala

Learning to Optimize (L2O) enhances optimization efficiency with integrated neural networks. L2O paradigms achieve great outcomes, e.g., refitting optimizer, generating unseen solutions iteratively or directly. However, conventional L2O…

Machine Learning · Computer Science 2025-03-17 Mingjia Shi , Ruihan Lin , Xuxi Chen , Yuhao Zhou , Zezhen Ding , Pingzhi Li , Tong Wang , Kai Wang , Zhangyang Wang , Jiheng Zhang , Tianlong Chen

This paper considers global optimization with a black-box unknown objective function that can be non-convex and non-differentiable. Such a difficult optimization problem arises in many real-world applications, such as parameter tuning in…

Optimization and Control · Mathematics 2016-07-19 Kenji Kawaguchi , Yu Maruyama , Xiaoyu Zheng

Bayesian optimization (BO) is a popular technique for sequential black-box function optimization, with applications including parameter tuning, robotics, environmental monitoring, and more. One of the most important challenges in BO is the…

Machine Learning · Computer Science 2018-03-29 Paul Rolland , Jonathan Scarlett , Ilija Bogunovic , Volkan Cevher

Large Language Models (LLMs) have shown strong capabilities in language understanding and reasoning across diverse domains. Recently, there has been increasing interest in utilizing LLMs not merely as assistants in optimization tasks, but…

Neural and Evolutionary Computing · Computer Science 2025-10-10 Jie Zhao , Tao Wen , Kang Hao Cheong

The use of black-box optimization for the design of new biological sequences is an emerging research area with potentially revolutionary impact. The cost and latency of wet-lab experiments requires methods that find good sequences in few…

Machine Learning · Computer Science 2020-07-14 Christof Angermueller , David Belanger , Andreea Gane , Zelda Mariet , David Dohan , Kevin Murphy , Lucy Colwell , D Sculley

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

Machine Learning · Computer Science 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

The task adaptation and alignment of Large Multimodal Models (LMMs) have been significantly advanced by instruction tuning and further strengthened by recent preference optimization. Yet, most LMMs still suffer from severe modality…

Machine Learning · Computer Science 2025-10-10 Chenxi Liu , Tianyi Xiong , Yanshuo Chen , Ruibo Chen , Yihan Wu , Junfeng Guo , Tianyi Zhou , Heng Huang

Zero-order optimization has recently received significant attention for designing optimal trajectories and policies for robotic systems. However, most existing methods (e.g., MPPI, CEM, and CMA-ES) are local in nature, as they rely on…

Robotics · Computer Science 2026-02-09 Xudong Sun , Armand Jordana , Massimo Fornasier , Jalal Etesami , Majid Khadiv
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