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Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

Optimizing objectives under constraints, where both the objectives and constraints are black box functions, is a common scenario in real-world applications such as scientific experimental design, design of medical therapies, and industrial…

Machine Learning · Computer Science 2023-10-16 Fengxue Zhang , Zejie Zhu , Yuxin Chen

Operations research (OR) is a core methodology that supports complex system decision-making, with broad applications in transportation, supply chain management, and production scheduling. However, traditional approaches that rely on…

Artificial Intelligence · Computer Science 2025-10-15 Yang Wang , Kai Li

Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically…

Combinatorial optimization (CO) problems, central to decision-making scenarios like logistics and manufacturing, are traditionally solved using problem-specific algorithms requiring significant domain expertise. While large language models…

Artificial Intelligence · Computer Science 2025-09-24 Xia Jiang , Yaoxin Wu , Minshuo Li , Zhiguang Cao , Yingqian Zhang

Low-rank adaptation (LoRA) has emerged as a new paradigm for cost-efficient fine-tuning of large language models (LLMs). However, fine-tuned LLMs often become overconfident especially when fine-tuned on small datasets. Bayesian methods,…

Machine Learning · Computer Science 2024-02-07 Adam X. Yang , Maxime Robeyns , Xi Wang , Laurence Aitchison

Building on advancements in Large Language Models (LLMs), we can tackle complex analytical and mathematical reasoning tasks requiring nuanced contextual understanding. A prime example of such complex tasks is modelling resource allocation…

Networking and Internet Architecture · Computer Science 2025-12-02 Tasnim Ahmed , Siana Rizwan , Naveed Ejaz , Salimur Choudhury

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

Machine Learning · Computer Science 2025-10-29 Robert MacKnight , Jose Emilio Regio , Jeffrey G. Ethier , Luke A. Baldwin , Gabe Gomes

Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale…

Machine Learning · Computer Science 2025-04-03 Vu Viet Hoang , Hung The Tran , Sunil Gupta , Vu Nguyen

Despite their widespread adoption in various domains, especially due to their powerful reasoning capabilities, Large Language Models (LLMs) are not the off-the-shelf choice to drive multi-objective optimization yet. Conventional strategies…

Machine Learning · Computer Science 2026-01-21 Andrej Schwanke , Lyubomir Ivanov , David Salinas , Frank Hutter , Arber Zela

Given the increasing importance of machine learning (ML) in our lives, several algorithmic fairness techniques have been proposed to mitigate biases in the outcomes of the ML models. However, most of these techniques are specialized to…

Most existing large language models (LLMs) are expensive to adapt after deployment, especially when a task requires newly produced information or niche domain knowledge. Recent work has shown that, by manipulating and optimizing their…

Computation and Language · Computer Science 2026-05-15 Zeyu Huang , Adhiguna Kuncoro , Qixuan Feng , Jiajun Shen , Lucio Dery , Arthur Szlam , Marc'Aurelio Ranzato

Aligning AI systems to users' interests requires understanding and incorporating humans' complex values and preferences. Recently, language models (LMs) have been used to gather information about the preferences of human users. This…

Computation and Language · Computer Science 2024-03-11 Kunal Handa , Yarin Gal , Ellie Pavlick , Noah Goodman , Jacob Andreas , Alex Tamkin , Belinda Z. Li

Analog layout synthesis faces significant challenges due to its dependence on manual processes, considerable time requirements, and performance instability. Current Bayesian Optimization (BO)-based techniques for analog layout synthesis,…

Artificial Intelligence · Computer Science 2024-12-09 Guojin Chen , Keren Zhu , Seunggeun Kim , Hanqing Zhu , Yao Lai , Bei Yu , David Z. Pan

Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine learning based optimization strategy, has been leveraged to…

Machine Learning · Computer Science 2025-04-04 Yuxuan Yin , Yu Wang , Boxun Xu , Peng Li

Existing high-dimensional Bayesian optimization (BO) methods aim to overcome the curse of dimensionality by carefully encoding structural assumptions, from locality to sparsity to smoothness, into the optimization procedure. Surprisingly,…

Machine Learning · Computer Science 2026-04-10 Colin Doumont , Donney Fan , Natalie Maus , Jacob R. Gardner , Henry Moss , Geoff Pleiss

A plethora of applications entail solving black-box optimization problems with high evaluation costs, including drug discovery, material design, as well as hyperparameter tuning. Toward finding the global optimum of such black-box…

Machine Learning · Computer Science 2025-10-06 Haotian Xiang , Jinwen Xu , Qin Lu

We consider the task of generating functionally correct code using large language models (LLMs). The correctness of generated code is influenced by the prompt used to query the given base LLM. We formulate the problem of finding the…

Software Engineering · Computer Science 2025-12-18 Shlok Tomar , Aryan Deshwal , Ethan Villalovoz , Mattia Fazzini , Haipeng Cai , Janardhan Rao Doppa

Because of its sample efficiency, Bayesian optimization (BO) has become a popular approach dealing with expensive black-box optimization problems, such as hyperparameter optimization (HPO). Recent empirical experiments showed that the loss…

Machine Learning · Computer Science 2021-11-11 Difan Deng , Marius Lindauer

Large language models (LLMs) have achieved substantial progress in processing long contexts but still struggle with long-context reasoning. Existing approaches typically involve fine-tuning LLMs with synthetic data, which depends on…

Computation and Language · Computer Science 2024-11-14 Siheng Li , Cheng Yang , Zesen Cheng , Lemao Liu , Mo Yu , Yujiu Yang , Wai Lam