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Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

Bayesian Optimization (BO) is a popular framework for optimizing black-box functions. Despite its effectiveness, BO is often inefficient for high-dimensional problems due to the exponential growth of the search space, heterogeneity of the…

Optimization and Control · Mathematics 2026-05-08 Sourav Das , Debjani Chakraborty , Pabitra Mitra

Large language models (LLMs) are increasingly deployed as part of compound AI systems that coordinate multiple modules (e.g., retrievers, tools, verifiers) over long-horizon workflows. Recent approaches that propagate textual feedback…

Machine Learning · Computer Science 2026-04-06 Minghui Chen , Wenlong Deng , James Zou , Han Yu , Xiaoxiao Li

Automated optimization modeling via Large Language Models (LLMs) has emerged as a promising approach to assist complex human decision-making. While post-training has become a pivotal technique to enhance LLMs' capabilities in this domain,…

Machine Learning · Computer Science 2026-02-13 Weiting Liu , Han Wu , Yufei Kuang , Xiongwei Han , Tao Zhong , Jianfeng Feng , Wenlian Lu

The self-improving ability of large language models (LLMs), enabled by prompting them to analyze and revise their own outputs, has garnered significant interest in recent research. However, this ability has been shown to be absent and…

Computation and Language · Computer Science 2024-04-02 Xiao Yu , Baolin Peng , Michel Galley , Jianfeng Gao , Zhou Yu

Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also…

Machine Learning · Computer Science 2025-06-18 Paolo Ascia , Elena Raponi , Thomas Bäck , Fabian Duddeck

Prompt Optimization has emerged as a crucial approach due to its capabilities in steering Large Language Models to solve various tasks. However, current works mainly rely on the random rewriting ability of LLMs, and the optimization process…

Computation and Language · Computer Science 2025-10-22 Tao Tao , Guanghui Zhu , Lang Guo , Hongyi Chen , Chunfeng Yuan , Yihua Huang

Data Augmentation (DA) has become an essential tool to improve robustness and generalization of modern machine learning. However, when deciding on DA strategies it is critical to choose parameters carefully, and this can be a daunting task…

Machine Learning · Computer Science 2026-03-04 Madi Matymov , Ba-Hien Tran , Michael Kampffmeyer , Markus Heinonen , Maurizio Filippone

Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models…

Machine Learning · Computer Science 2019-07-05 Willie Neiswanger , Kirthevasan Kandasamy , Barnabas Poczos , Jeff Schneider , Eric Xing

Meta-Black-Box Optimization (MetaBBO) is an emerging avenue within Optimization community, where algorithm design policy could be meta-learned by reinforcement learning to enhance optimization performance. So far, the reward functions in…

Machine Learning · Computer Science 2026-01-30 Zechuan Huang , Zhiguang Cao , Hongshu Guo , Yue-Jiao Gong , Zeyuan Ma

LLM workflows, which coordinate structured calls to individual LLMs/agents to achieve a particular goal, offer a promising path towards building powerful AI systems that can tackle diverse tasks. However, existing approaches for building…

Computation and Language · Computer Science 2026-05-04 Hongyeon Yu , Young-Bum Kim , Yoon Kim

Large Language Models (LLMs) have achieved significant success in complex reasoning but remain bottlenecked by reliance on expert-annotated data and external verifiers. While existing self-evolution paradigms aim to bypass these…

Computation and Language · Computer Science 2026-02-05 Zhitao Gao , Jie Ma , Xuhong Li , Pengyu Li , Ning Qu , Yaqiang Wu , Hui Liu , Jun Liu

Like many optimizers, Bayesian optimization often falls short of gaining user trust due to opacity. While attempts have been made to develop human-centric optimizers, they typically assume user knowledge is well-specified and error-free,…

Safety and trustworthiness are indispensable requirements for real-world applications of AI systems using large language models (LLMs). This paper formulates human value alignment as an optimization problem of the language model policy to…

Machine Learning · Computer Science 2024-10-22 Akifumi Wachi , Thien Q. Tran , Rei Sato , Takumi Tanabe , Youhei Akimoto

Large Language Models (LLMs) show potential as sequential decision-making agents, but their application is often limited due to a reliance on large, computationally expensive models. This creates a need to improve smaller models, yet…

Computation and Language · Computer Science 2025-08-15 Jim Dilkes , Vahid Yazdanpanah , Sebastian Stein

Aligning large language models (LLMs) with diverse and multifaceted user preferences is a fundamental challenge in personalized AI systems. Existing multi-objective alignment methods either rely on costly training or require pre-trained…

Computation and Language · Computer Science 2026-05-26 Linhao Luo , Thuy-Trang Vu , Van-Anh Nguyen , Junae Kim , Gholamreza Haffari , Dinh Phung

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

Embedding models are crucial for various natural language processing tasks but can be limited by factors such as limited vocabulary, lack of context, and grammatical errors. This paper proposes a novel approach to improve embedding…

Computation and Language · Computer Science 2024-04-19 Nicholas Harris , Anand Butani , Syed Hashmy

Fine-tuning all parameters of large language models (LLMs) necessitates substantial computational power and extended time. Latest advancements in parameter-efficient fine-tuning (PEFT) techniques, such as Adapter tuning and LoRA, allow for…

Computation and Language · Computer Science 2024-06-04 Zhihao Wen , Jie Zhang , Yuan Fang

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama