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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

Human-robot co-carrying tasks reveal their potential in both industrial and everyday applications by leveraging the strengths of both parties. Effective control of robots in these tasks requires managing the energy level in the closed-loop…

Robotics · Computer Science 2025-11-18 Dang Van Trong , Hiroki Kotake , Sumitaka Honji , Takahiro Wada

Max-value entropy search (MES) is one of the state-of-the-art approaches in Bayesian optimization (BO). In this paper, we propose a novel variant of MES for constrained problems, called Constrained MES via Information lower BOund…

Machine Learning · Computer Science 2023-02-21 Shion Takeno , Tomoyuki Tamura , Kazuki Shitara , Masayuki Karasuyama

The accuracy of some density functional (DF) models, widely used in material science, depends on empirical or free parameters which are commonly tuned using reference physical properties. The optimal value of the free parameters is…

Computational Physics · Physics 2020-07-01 Rodrigo A. Vargas-Hernández

Model-based reinforcement learning approaches carry the promise of being data efficient. However, due to challenges in learning dynamics models that sufficiently match the real-world dynamics, they struggle to achieve the same asymptotic…

Machine Learning · Computer Science 2018-09-17 Ignasi Clavera , Jonas Rothfuss , John Schulman , Yasuhiro Fujita , Tamim Asfour , Pieter Abbeel

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

In many high-throughput experimental design settings, such as those common in biochemical engineering, batched queries are more cost effective than one-by-one sequential queries. Furthermore, it is often not possible to directly choose…

Machine Learning · Computer Science 2019-04-18 Kevin K. Yang , Yuxin Chen , Alycia Lee , Yisong Yue

Tuning active prostheses for people with amputation is time-consuming and relies on metrics that may not fully reflect user needs. We introduce a human-in-the-loop optimization (HILO) approach that leverages direct user preferences to…

Multi-fidelity Bayesian Optimization (MFBO) is a promising framework to speed up materials and molecular discovery as sources of information of different accuracies are at hand at increasing cost. Despite its potential use in chemical…

Learning to move is a primary goal for animals and robots, where ensuring safety is often important when optimizing control policies on the embodied systems. For complex tasks such as the control of human or humanoid control, the…

Machine Learning · Computer Science 2024-12-31 Yunyue Wei , Zeji Yi , Hongda Li , Saraswati Soedarmadji , Yanan Sui

The goal of Multi-task Bayesian Optimization (MBO) is to minimize the number of queries required to accurately optimize a target black-box function, given access to offline evaluations of other auxiliary functions. When offline datasets are…

Machine Learning · Computer Science 2022-03-11 Kourosh Hakhamaneshi , Pieter Abbeel , Vladimir Stojanovic , Aditya Grover

Bayesian optimization (BO) has proven to be an effective paradigm for the global optimization of expensive-to-sample systems. One of the main advantages of BO is its use of Gaussian processes (GPs) to characterize model uncertainty which…

Machine Learning · Statistics 2023-11-30 Leonardo D. González , Victor M. Zavala

The integration of machine learning techniques into Inertial Confinement Fusion (ICF) simulations has emerged as a powerful approach for enhancing computational efficiency. By replacing the costly Non-Local Thermodynamic Equilibrium (NLTE)…

Human motion prediction is non-trivial in modern industrial settings. Accurate prediction of human motion can not only improve efficiency in human robot collaboration, but also enhance human safety in close proximity to robots. Among…

Robotics · Computer Science 2020-01-28 Weiye Zhao , Liting Sun , Changliu Liu , Masayoshi Tomizuka

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

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

Machine Learning · Computer Science 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

Motion planning and control are crucial components of robotics applications like automated driving. Here, spatio-temporal hard constraints like system dynamics and safety boundaries (e.g., obstacles) restrict the robot's motions. Direct…

Robotics · Computer Science 2023-08-29 Christopher Diehl , Janis Adamek , Martin Krüger , Frank Hoffmann , Torsten Bertram

Automated experimentation has the potential to revolutionize scientific discovery, but its effectiveness depends on well-defined optimization targets, which are often uncertain or probabilistic in real-world settings. In this work, we…

Machine Learning · Computer Science 2025-04-10 Yu Liu , Sergei V. Kalinin

Bayesian optimization (BO) is a prominent approach to optimizing expensive-to-evaluate black-box functions. The massive computational capability of edge devices such as mobile phones, coupled with privacy concerns, has led to a surging…

Machine Learning · Computer Science 2020-10-23 Zhongxiang Dai , Kian Hsiang Low , Patrick Jaillet

Inverse design tools such as Topology Optimization (TO) can achieve new levels of improvement for high-performance engineered structures. However, widespread use is hindered by high computational times and a black-box nature that inhibits…

Machine Learning · Computer Science 2026-01-19 Dat Quoc Ha , Md Ferdous Alam , Markus J. Buehler , Faez Ahmed , Josephine V. Carstensen
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