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Unsupervised and semi-supervised ML methods such as variational autoencoders (VAE) have become widely adopted across multiple areas of physics, chemistry, and materials sciences due to their capability in disentangling representations and…

Machine Learning · Computer Science 2022-07-04 Arpan Biswas , Rama Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin

Hyperparameter optimisation is a crucial process in searching the optimal machine learning model. The efficiency of finding the optimal hyperparameter settings has been a big concern in recent researches since the optimisation process could…

Machine Learning · Computer Science 2020-09-15 Yuxi Huan , Fan Wu , Michail Basios , Leslie Kanthan , Lingbo Li , Baowen Xu

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

Machine learning (ML) methods offer a wide range of configurable hyperparameters that have a significant influence on their performance. While accuracy is a commonly used performance objective, in many settings, it is not sufficient.…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Tyler Chang , Yixuan Sun , Venkatram Vishwanath , Prasanna Balaprakash

Mixture-of-Experts (MoE) architectures are evolving towards finer granularity to improve parameter efficiency. However, existing MoE designs face an inherent trade-off between the granularity of expert specialization and hardware execution…

Computation and Language · Computer Science 2026-02-06 Jingze Shi , Zhangyang Peng , Yizhang Zhu , Yifan Wu , Guang Liu , Yuyu Luo

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

Feature Engineering (FE) is pivotal in automated machine learning (AutoML) but remains a bottleneck for traditional methods, which operate within rigid search spaces and lack domain awareness. While Large Language Models (LLMs) offer a…

Machine Learning · Computer Science 2026-05-22 Beicheng Xu , Keyao Ding , Wei Liu , Yupeng Lu , Bin Cui

Generating labeled training datasets has become a major bottleneck in Machine Learning (ML) pipelines. Active ML aims to address this issue by designing learning algorithms that automatically and adaptively select the most informative…

Machine Learning · Computer Science 2020-04-29 Mina Karzand , Robert D. Nowak

Sparse models, including sparse Mixture-of-Experts (MoE) models, have emerged as an effective approach for scaling Transformer models. However, they often suffer from computational inefficiency since a significant number of parameters are…

Machine Learning · Computer Science 2024-05-27 Yuanhang Yang , Shiyi Qi , Wenchao Gu , Chaozheng Wang , Cuiyun Gao , Zenglin Xu

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

We present AutoOED, an Optimal Experiment Design platform powered with automated machine learning to accelerate the discovery of optimal solutions. The platform solves multi-objective optimization problems in time- and data-efficient manner…

Artificial Intelligence · Computer Science 2021-04-14 Yunsheng Tian , Mina Konaković Luković , Timothy Erps , Michael Foshey , Wojciech Matusik

Artificial intelligence (AI) has achieved astonishing successes in many domains, especially with the recent breakthroughs in the development of foundational large models. These large models, leveraging their extensive training data, provide…

Machine Learning · Computer Science 2026-01-27 Siyuan Mu , Sen Lin

Recent advancements in software and hardware technologies have enabled the use of AI/ML models in everyday applications has significantly improved the quality of service rendered. However, for a given application, finding the right AI/ML…

Machine Learning · Computer Science 2023-04-19 Haoxiang Zhang , Juliana Freire , Yash Garg

The Mixture of Experts (MoE) has emerged as a highly successful technique in deep learning, based on the principle of divide-and-conquer to maximize model capacity without significant additional computational cost. Even in the era of…

Computation and Language · Computer Science 2024-09-02 Boan Liu , Liang Ding , Li Shen , Keqin Peng , Yu Cao , Dazhao Cheng , Dacheng Tao

Mixture-of-Expert (MoE) models have obtained state-of-the-art performance in Neural Machine Translation (NMT) tasks. Existing works in MoE mostly consider a homogeneous design where the same number of experts of the same size are placed…

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

The performance of Bayesian optimization (BO), a highly sample-efficient method for expensive black-box problems, is critically governed by the selection of its hyperparameters, including the kernel and acquisition functions. This presents…

Machine Learning · Computer Science 2026-05-25 Joon-Hyun Park , Mujin Cheon , Jeongsu Wi , Dong-Yeun Koh

Hyperparameter optimization (HPO) plays a central role in the performance of deep learning models, yet remains computationally expensive and difficult to interpret, particularly for time-series forecasting. While Bayesian Optimization (BO)…

Machine Learning · Computer Science 2026-02-17 Ons Saadallah , Mátyás andó , Tamás Gábor Orosz

To meet the growing demand for smarter, faster, and more efficient embodied AI solutions, we introduce a novel Mixture-of-Expert (MoE) method that significantly boosts reasoning and learning efficiency for embodied autonomous systems.…

Artificial Intelligence · Computer Science 2025-08-14 Lu Xu , Jiaqian Yu , Xiongfeng Peng , Yiwei Chen , Weiming Li , Jaewook Yoo , Sunghyun Chunag , Dongwook Lee , Daehyun Ji , Chao Zhang

As big data becomes ubiquitous across domains, and more and more stakeholders aspire to make the most of their data, demand for machine learning tools has spurred researchers to explore the possibilities of automated machine learning…