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Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem…

Machine Learning · Computer Science 2025-01-24 Zhendong Guo , Yew-Soon Ong , Tiantian He , Haitao Liu

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

Careful curation of data sources can significantly improve the performance of LLM pre-training, but predominant approaches rely heavily on intuition or costly trial-and-error, making them difficult to generalize across different data…

Machine Learning · Computer Science 2025-03-28 Thomson Yen , Andrew Wei Tung Siah , Haozhe Chen , Tianyi Peng , Daniel Guetta , Hongseok Namkoong

Large language models (LLMs) rely on pretraining on massive and heterogeneous corpora, where training data composition has a decisive impact on training efficiency and downstream generalization under realistic compute and data budget…

Computation and Language · Computer Science 2026-04-21 Zhuo Chen , Yuxuan Miao , Supryadi , Deyi Xiong

Selecting the optimal combination of a machine learning (ML) algorithm and its hyper-parameters is crucial for the development of high-performance ML systems. However, since the combination of ML algorithms and hyper-parameters is enormous,…

Machine Learning · Computer Science 2025-02-14 Kazuki Ishikawa , Ryota Ozaki , Yohei Kanzaki , Ichiro Takeuchi , Masayuki Karasuyama

We study an online learning problem on dynamic pricing and resource allocation, where we make joint pricing and inventory decisions to maximize the overall net profit. We consider the stochastic dependence of demands on the price, which…

Machine Learning · Computer Science 2025-05-23 Jianyu Xu , Xuan Wang , Yu-Xiang Wang , Jiashuo Jiang

To lower the expertise barrier in machine learning, the AutoML community has focused on the CASH problem, which jointly automates algorithm selection and hyperparameter tuning. While traditional methods like Bayesian Optimization (BO)…

Machine Learning · Computer Science 2026-05-08 Beicheng Xu , Weitong Qian , Lingching Tung , Yupeng Lu , Bin Cui

An open challenge in recent machine learning is about how to improve the reasoning capability of large language models (LLMs) in a black-box setting, i.e., without access to detailed information such as output token probabilities. Existing…

Machine Learning · Computer Science 2024-10-10 Jaehyung Kim , Dongyoung Kim , Yiming Yang

Large language models (LLMs) are increasingly used to automate feature engineering in tabular learning. Given task-specific information, LLMs can propose diverse feature transformation operations to enhance downstream model performance.…

Machine Learning · Computer Science 2026-01-30 Zhuoyan Li , Aditya Bansal , Jinzhao Li , Shishuang He , Zhuoran Lu , Mutian Zhang , Qin Liu , Yiwei Yang , Swati Jain , Ming Yin , Yunyao Li

Optimizing training performance in large language models (LLMs) remains an essential challenge, particularly in improving model performance while maintaining computational costs. This work challenges the conventional approach of training…

Computation and Language · Computer Science 2025-11-04 Chun-Hao Yang , Bo-Han Feng , Tzu-Yuan Lai , Yan Yu Chen , Yin-Kai Dean Huang , Shou-De Lin

Scaling LLMs requires tremendous computational resources, and recent advances in AI have gone hand in hand with massive amounts of capital expenditure. While it is established that scaling up LLMs reliably increases model quality…

Machine Learning · Computer Science 2026-05-19 Sophie Hao , William Merrill

Recently, preference optimization methods such as DPO have significantly enhanced large language models (LLMs) in wide tasks including dialogue and question-answering. However, current methods fail to account for the varying difficulty…

Computation and Language · Computer Science 2024-12-31 Jingyuan Ma , Rui Li , Zheng Li , Lei Sha , Zhifang Sui

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal…

Machine Learning · Computer Science 2020-08-04 Lidan Wang , Franck Dernoncourt , Trung Bui

Instruction tuning has become the de facto method to equip large language models (LLMs) with the ability of following user instructions. Usually, hundreds of thousands or millions of instruction-following pairs are employed to fine-tune the…

Computation and Language · Computer Science 2023-11-28 Qianlong Du , Chengqing Zong , Jiajun Zhang

With the rapid adoption of large language models (LLMs) in recommendation systems, the computational and communication bottlenecks caused by their massive parameter sizes and large data volumes have become increasingly prominent. This paper…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-25 Haowei Yang , Yu Tian , Zhongheng Yang , Zhao Wang , Chengrui Zhou , Dannier Li

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

Adjustable hyperparameters of machine learning models typically impact various key trade-offs such as accuracy, fairness, robustness, or inference cost. Our goal in this paper is to find a configuration that adheres to user-specified limits…

Machine Learning · Computer Science 2023-12-05 Bracha Laufer-Goldshtein , Adam Fisch , Regina Barzilay , Tommi Jaakkola

The Predict-Then-Optimize framework uses machine learning models to predict unknown parameters of an optimization problem from exogenous features before solving. This setting is common to many real-world decision processes, and recently it…

Machine Learning · Computer Science 2024-09-10 James Kotary , Vincenzo Di Vito , Jacob Cristopher , Pascal Van Hentenryck , Ferdinando Fioretto

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on…

Machine Learning · Computer Science 2024-03-11 Tennison Liu , Nicolás Astorga , Nabeel Seedat , Mihaela van der Schaar
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