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The tuning of hyperparameters becomes increasingly important as machine learning (ML) models have been extensively applied in data mining applications. Among various approaches, Bayesian optimization (BO) is a successful methodology to tune…

Machine Learning · Computer Science 2022-06-07 Yang Li , Yu Shen , Huaijun Jiang , Tianyi Bai , Wentao Zhang , Ce Zhang , Bin Cui

Despite their widespread use, large language models (LLMs) are known to hallucinate incorrect information and be poorly calibrated. This makes the uncertainty quantification of these models of critical importance, especially in high-stakes…

Machine Learning · Computer Science 2025-06-27 Colin Samplawski , Adam D. Cobb , Manoj Acharya , Ramneet Kaur , Susmit Jha

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

Low-rank Adaption (LoRA) has been the de-facto parameter-efficient fine-tuning technique for large language models. We present HeteroLoRA, a light-weight search algorithm that leverages zero-cost proxies to allocate the limited LoRA…

Machine Learning · Computer Science 2024-06-24 Zixi Zhang , Cheng Zhang , Xitong Gao , Robert D. Mullins , George A. Constantinides , Yiren Zhao

Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian…

Machine Learning · Computer Science 2026-05-12 Katarzyna Kobalczyk , Zhiyuan Jerry Lin , Benjamin Letham , Zhuokai Zhao , Maximilian Balandat , Eytan Bakshy

Fine-tuning large language models (LLMs) with low-rank adaptation (LoRA) is a cost-effective way to incorporate information from a specific dataset. However, when a problem requires incorporating information from multiple datasets - as in…

Machine Learning · Computer Science 2026-04-03 Liyi Zhang , Jake Snell , Thomas L. Griffiths

Low-Rank Adaptation (LoRA) is the prevailing approach for efficient large language model (LLM) fine-tuning. Building on this paradigm, recent studies have proposed alternative initialization strategies, architectural modifications, and…

Machine Learning · Computer Science 2026-05-20 Yu-Ang Lee , Ching-Yun Ko , Pin-Yu Chen , Mi-Yen Yeh

Low-Rank Adaptation (LoRA) is a crucial method for efficiently fine-tuning large language models (LLMs), with its effectiveness influenced by two key factors: rank selection and weight initialization. While numerous LoRA variants have been…

Machine Learning · Computer Science 2025-10-27 Haonan He , Peng Ye , Yuchen Ren , Yuan Yuan , Luyang Zhou , Shucun Ju , Lei Chen

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

Pre-training Large Language Models (LLMs) on web-scale datasets becomes fundamental for advancing general-purpose AI. In contrast, enhancing their predictive performance on downstream tasks typically involves adapting their knowledge…

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

Fine-tuning large language models (LLMs) with high parameter efficiency for downstream tasks has become a new paradigm. Low-Rank Adaptation (LoRA) significantly reduces the number of trainable parameters for fine-tuning. Although it has…

Computation and Language · Computer Science 2024-08-14 Jia-Chen Zhang , Yu-Jie Xiong , He-Xi Qiu , Dong-Hai Zhu , Chun-Ming Xia

Low-Rank Adaptation (LoRA) is one of the most widely used techniques for fine-tuning large language models (LLMs). By introducing a small number of trainable low-rank weight matrices, LoRA substantially reduces the number of parameters that…

Machine Learning · Computer Science 2025-07-15 Seokmin Ko

In fine-tuning large language models (LLMs), conserving computational resources while maintaining effectiveness and improving outcomes within the same computational constraints is crucial. The Low-Rank Adaptation (LoRA) strategy balances…

Machine Learning · Computer Science 2024-09-05 Xiaojun Xiao , Sen Shen , Qiming Bao , Hongfei Rong , Kairui Liu , Zhongsheng Wang , Jiamou Liu

Although the advancements of pre-trained Large Language Models have significantly accelerated recent progress in NLP, their ever-increasing size poses significant challenges for conventional fine-tuning, especially in memory-intensive…

Computation and Language · Computer Science 2024-04-02 Chenxi Whitehouse , Fantine Huot , Jasmijn Bastings , Mostafa Dehghani , Chu-Cheng Lin , Mirella Lapata

Large Language Models usually put more emphasis on accuracy and therefore, will guess even when not certain about the prediction, which is especially severe when fine-tuned on small datasets due to the inherent tendency toward…

Artificial Intelligence · Computer Science 2026-04-16 Moule Lin , Shuhao Guan , Andrea Patane , David Gregg , Goetz Botterweck

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic…

Machine Learning · Computer Science 2025-12-17 Qi Chen , Fabio Ramos , Alán Aspuru-Guzik , Florian Shkurti

Large Language Models (LLMs) have transformed both everyday life and scientific research. However, adapting LLMs from general-purpose models to specialized tasks remains challenging, particularly in resource-constrained environments.…

Machine Learning · Computer Science 2025-09-12 Hao Zhang , Bo Huang , Zhenjia Li , Xi Xiao , Hui Yi Leong , Zumeng Zhang , Xinwei Long , Tianyang Wang , Hao Xu

Large Language Models (LLMs) have shown great potential in automatically generating and optimizing (meta)heuristics, making them valuable tools in heuristic optimization tasks. However, LLMs are generally inefficient when it comes to…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Niki van Stein , Diederick Vermetten , Thomas Bäck

Low-Rank Adaptation (LoRA) has become the standard for fine-tuning large pre-trained models at reduced computational cost. However, its low-rank point-estimate updates limit expressiveness, leave a persistent gap relative to full…

Machine Learning · Computer Science 2026-05-12 Dario Coscia , Sindy Löwe , Max Welling