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Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian…

Machine Learning · Computer Science 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

Hyperparameter optimization (HPO) is a fundamental problem in automatic machine learning (AutoML). However, due to the expensive evaluation cost of models (e.g., training deep learning models or training models on large datasets), vanilla…

Machine Learning · Computer Science 2021-08-03 Yang Li , Yu Shen , Jiawei Jiang , Jinyang Gao , Ce Zhang , Bin Cui

Existing open-source multimodal large language models (MLLMs) generally follow a training process involving pre-training and supervised fine-tuning. However, these models suffer from distribution shifts, which limit their multimodal…

Computation and Language · Computer Science 2025-04-08 Weiyun Wang , Zhe Chen , Wenhai Wang , Yue Cao , Yangzhou Liu , Zhangwei Gao , Jinguo Zhu , Xizhou Zhu , Lewei Lu , Yu Qiao , Jifeng Dai

The use of sophisticated machine learning models for critical decision making is faced with a challenge that these models are often applied as a "black-box". This has led to an increased interest in interpretable machine learning, where…

Artificial Intelligence · Computer Science 2020-07-22 Catarina Moreira , Yu-Liang Chou , Mythreyi Velmurugan , Chun Ouyang , Renuka Sindhgatta , Peter Bruza

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…

Bayesian optimization (BO) is a popular approach to optimize expensive-to-evaluate black-box functions. A significant challenge in BO is to scale to high-dimensional parameter spaces while retaining sample efficiency. A solution considered…

Machine Learning · Statistics 2020-10-26 Benjamin Letham , Roberto Calandra , Akshara Rai , Eytan Bakshy

Large language models (LLMs) have achieved great success across diverse tasks, and fine-tuning is sometimes needed to further enhance generation quality. Most existing methods rely on human supervision or parameter retraining, both of which…

Computation and Language · Computer Science 2025-05-27 Zhen-Yu Zhang , Jiandong Zhang , Huaxiu Yao , Gang Niu , Masashi Sugiyama

Hyperparameters play a critical role in the performances of many machine learning methods. Determining their best settings or Hyperparameter Optimization (HPO) faces difficulties presented by the large number of hyperparameters as well as…

Machine Learning · Statistics 2020-07-21 Yang Yang , Ke Deng , Michael Zhu

Real-world problems often involve the optimization of several objectives under multiple constraints. An example is the hyper-parameter tuning problem of machine learning algorithms. In particular, the minimization of the estimation of the…

Machine Learning · Statistics 2021-07-02 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato

In this paper we propose for the first time the hyperparameter optimization (HPO) algorithm POCAII. POCAII differs from the Hyperband and Successive Halving literature by explicitly separating the search and evaluation phases and utilizing…

Machine Learning · Computer Science 2025-05-20 Joshua Inman , Tanmay Khandait , Lalitha Sankar , Giulia Pedrielli

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

Bayesian Optimization is a widely used method for optimizing expensive black-box functions, relying on probabilistic surrogate models such as Gaussian Processes. The quality of the surrogate model is crucial for good optimization…

Machine Learning · Computer Science 2025-12-16 Carl Hvarfner , David Eriksson , Eytan Bakshy , Max Balandat

We introduce a surrogate-based black-box optimization method, termed Polynomial-model-based optimization (PMBO). The algorithm alternates polynomial approximation with Bayesian optimization steps, using Gaussian processes to model the error…

Optimization and Control · Mathematics 2024-03-13 Janina Schreiber , Pau Batlle , Damar Wicaksono , Michael Hecht

This paper provides empirical concerns about post-hoc explanations of black-box ML models, one of the major trends in AI explainability (XAI), by showing its lack of interpretability and societal consequences. Using a representative…

Human-Computer Interaction · Computer Science 2021-10-01 Jean-Marie John-Mathews

Black-box optimization is often encountered for decision-making in complex systems management, where the knowledge of system is limited. Under these circumstances, it is essential to balance the utilization of new information with…

Computation · Statistics 2025-01-15 Teng Lian , Jian-Qiang Hu , Yuhang Wu , Zeyu Zheng

Large Language Model (LLM) systems have been the frontier of AI in many application domains, leading to new challenges and opportunities for hyperparameter optimization (HPO) for the AutoML community. However, this type of system exhibits…

Machine Learning · Computer Science 2026-05-12 Siyu Wu , Yulong Ye , Zezhen Xiang , Pengzhou Chen , Gangda Xiong , Tao Chen

Predicting default is essential for banks to ensure profitability and financial stability. While modern machine learning methods often outperform traditional regression techniques, their lack of transparency limits their use in regulated…

Machine Learning · Computer Science 2025-09-16 Sagi Schwartz , Qinling Wang , Fang Fang

The task of hyper-parameter optimization (HPO) is burdened with heavy computational costs due to the intractability of optimizing both a model's weights and its hyper-parameters simultaneously. In this work, we introduce a new class of HPO…

Machine Learning · Computer Science 2021-12-14 Mathieu Tuli , Mahdi S. Hosseini , Konstantinos N. Plataniotis

While Deep Learning (DL) experts often have prior knowledge about which hyperparameter settings yield strong performance, only few Hyperparameter Optimization (HPO) algorithms can leverage such prior knowledge and none incorporate priors…

Machine Learning · Computer Science 2025-11-12 Soham Basu , Frank Hutter , Danny Stoll

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