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Large language models (LLMs) have recently shown strong reasoning capabilities beyond traditional language tasks, motivating their use for numerical optimization. This paper presents LLMize, an open-source Python framework that enables…

Machine Learning · Computer Science 2026-01-06 M. Rizki Oktavian

State of the art large language models (LLMs) have shown impressive performance on a variety of benchmark tasks and are increasingly used as components in larger applications, where LLM-based predictions serve as proxies for human…

Computation and Language · Computer Science 2024-06-14 Michael Franke , Polina Tsvilodub , Fausto Carcassi

Bayesian Optimization (BO) is a well-established method for addressing black-box optimization problems. In many real-world scenarios, optimization often involves multiple functions, emphasizing the importance of leveraging data and learned…

Machine Learning · Computer Science 2025-03-11 Khoa Nguyen , Viet Huynh , Binh Tran , Tri Pham , Tin Huynh , Thin Nguyen

The rapid evolution of Large Language Models (LLMs) has shifted focus from general-purpose capabilities to domain-specific expertise. However, adapting LLMs to specialized fields such as medicine presents two challenge: (1) the…

Machine Learning · Computer Science 2026-01-14 Yuxin Yang , Aoxiong Zeng , Xiangquan Yang

Causal discovery seeks to uncover causal relations from data, typically represented as causal graphs, and is essential for predicting the effects of interventions. While expert knowledge is required to construct principled causal graphs,…

Artificial Intelligence · Computer Science 2026-02-19 Zihao Li , Fabrizio Russo

Recent advanced large language models (LLMs) have showcased their emergent capability of in-context learning, facilitating intelligent decision-making through natural language prompts without retraining. This new machine learning paradigm…

Computational Engineering, Finance, and Science · Computer Science 2024-12-12 Xinxin Zhang , Zhuoqun Xu , Guangpu Zhu , Chien Ming Jonathan Tay , Yongdong Cui , Boo Cheong Khoo , Lailai Zhu

Large language models (LLMs) often struggle with complex reasoning tasks due to their limitations in addressing the vast reasoning space and inherent ambiguities of natural language. We propose the Mixture-of-Search-Agents (MoSA) paradigm,…

Artificial Intelligence · Computer Science 2025-02-27 Sen Yang , Yafu Li , Wai Lam , Yu Cheng

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

Bayesian optimization (BO) is a successful methodology to optimize black-box functions that are expensive to evaluate. While traditional methods optimize each black-box function in isolation, there has been recent interest in speeding up BO…

Machine Learning · Statistics 2019-09-30 Valerio Perrone , Huibin Shen , Matthias Seeger , Cedric Archambeau , Rodolphe Jenatton

Classical search engines using indexing methods in data infrastructures primarily allow keyword-based queries to retrieve content. While these indexing-based methods are highly scalable and efficient, due to a lack of an appropriate…

Information Retrieval · Computer Science 2025-09-30 Nafis Tanveer Islam , Zhiming Zhao

Prompting robots with natural language (NL) has largely been studied as what task to execute (goal selection, skill sequencing) rather than how to execute that task safely and efficiently in semantically rich, human-centric spaces. We…

Robotics · Computer Science 2025-11-18 Mani Amani , Behrad Beheshti , Reza Akhavian

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

When we manually design an evolutionary optimization algorithm, we implicitly or explicitly assume a set of target optimization problems. In the case of automated algorithm design, target optimization problems are usually explicitly shown.…

Neural and Evolutionary Computing · Computer Science 2025-03-03 Lie Meng Pang , Hisao Ishibuchi

Despite their success in many domains, large language models (LLMs) remain under-studied in scenarios requiring optimal decision-making under uncertainty. This is crucial as many real-world applications, ranging from personalized…

Machine Learning · Computer Science 2025-07-15 Allen Nie , Yi Su , Bo Chang , Jonathan N. Lee , Ed H. Chi , Quoc V. Le , Minmin Chen

Large Language Models (LLMs) have become a popular interface for human-AI interaction, supporting information seeking and task assistance through natural, multi-turn dialogue. To respond to users within multi-turn dialogues, the…

Computation and Language · Computer Science 2026-04-16 Fengran Mo , Yifan Gao , Sha Li , Hansi Zeng , Xin Liu , Zhaoxuan Tan , Xian Li , Jianshu Chen , Dakuo Wang , Meng Jiang

Symbolic regression (SR), the task of discovering mathematical expressions that best describe a given dataset, remains a fundamental challenge in scientific discovery. Traditional approaches, primarily based on genetic algorithms and…

Artificial Intelligence · Computer Science 2026-05-06 Hao Liu , Xiao-Wen Yang , Atharva Sehgal , Yixin Wang , Lan-Zhe Guo , Yu-Feng Li , Yisong Yue

A prompt is a sequence of symbol or tokens, selected from a vocabulary according to some rule, which is prepended/concatenated to a textual query. A key problem is how to select the sequence of tokens: in this paper we formulate it as a…

Machine Learning · Computer Science 2023-12-04 Antonio Sabbatella , Andrea Ponti , Antonio Candelieri , Ilaria Giordani , Francesco Archetti

Building on the success of Large Language Models (LLMs), LLM-based representations have dominated the document representation landscape, achieving great performance on the document embedding benchmarks. However, the high-dimensional,…

Computation and Language · Computer Science 2025-07-10 Boshko Koloski , Senja Pollak , Roberto Navigli , Blaž Škrlj

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

Large language models (LLMs) exhibit probabilistic output characteristics, yet conventional evaluation frameworks rely on deterministic scalar metrics. This study introduces a Bayesian approach for LLM capability assessment that integrates…

Computation and Language · Computer Science 2025-05-01 Xiao Xiao , Yu Su , Sijing Zhang , Zhang Chen , Yadong Chen , Tian Liu