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Bayesian Optimization (BO) is a data-efficient method for global black-box optimization of an expensive-to-evaluate fitness function. BO typically assumes that computation cost of BO is cheap, but experiments are time consuming or costly.…

Machine Learning · Statistics 2016-08-18 Doniyor Ulmasov , Caroline Baroukh , Benoit Chachuat , Marc Peter Deisenroth , Ruth Misener

Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…

Machine Learning · Computer Science 2025-03-25 Daniel Musekamp , Marimuthu Kalimuthu , David Holzmüller , Makoto Takamoto , Mathias Niepert

Feedback control synthesis for nonlinear, parameter-dependent fluid flow control problems is considered. The optimal feedback law requires the solution of the Hamilton-Jacobi-Bellman (HJB) PDE suffering the curse of dimensionality. This is…

Optimization and Control · Mathematics 2023-11-29 Sergey Dolgov , Dante Kalise , Luca Saluzzi

Robot learning is often difficult due to the expense of gathering data. The need for large amounts of data can, and should, be tackled with effective algorithms and leveraging expert information on robot dynamics. Bayesian reinforcement…

Robotics · Computer Science 2023-07-25 Hai Nguyen , Sammie Katt , Yuchen Xiao , Christopher Amato

Offline model-based reinforcement learning (MBRL) serves as a competitive framework that can learn well-performing policies solely from pre-collected data with the help of learned dynamics models. To fully unleash the power of offline MBRL,…

Machine Learning · Computer Science 2025-02-18 Yu-Wei Yang , Yun-Ming Chan , Wei Hung , Xi Liu , Ping-Chun Hsieh

Low dimensional and computationally less expensive Reduced-Order Models (ROMs) have been widely used to capture the dominant behaviors of high-dimensional systems. A ROM can be obtained, using the well-known Proper Orthogonal Decomposition…

Applications · Statistics 2022-06-24 Xiao Liu , Xinchao Liu

Modeling and predicting the dynamics of complex multiscale systems remains a significant challenge due to their inherent nonlinearities and sensitivity to initial conditions, as well as limitations of traditional machine learning methods…

Machine Learning · Computer Science 2025-10-23 Elias Al Ghazal , Jad Mounayer , Beatriz Moya , Sebastian Rodriguez , Chady Ghnatios , Francisco Chinesta

Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to…

Computational Physics · Physics 2023-03-07 Yu Xie , Jonathan Vandermause , Senja Ramakers , Nakib H. Protik , Anders Johansson , Boris Kozinsky

The coupling of Proper Orthogonal Decomposition (POD) and deep learning-based ROMs (DL-ROMs) has proved to be a successful strategy to construct non-intrusive, highly accurate, surrogates for the real time solution of parametric nonlinear…

Numerical Analysis · Mathematics 2024-05-15 Simone Brivio , Stefania Fresca , Andrea Manzoni

Active learning (AL) in open set scenarios presents a novel challenge of identifying the most valuable examples in an unlabeled data pool that comprises data from both known and unknown classes. Traditional methods prioritize selecting…

Machine Learning · Computer Science 2024-11-14 Chen-Chen Zong , Ye-Wen Wang , Kun-Peng Ning , Hai-Bo Ye , Sheng-Jun Huang

Preferential Bayesian Optimization (PBO) is a sample-efficient method to learn latent user utilities from preferential feedback over a pair of designs. It relies on a statistical surrogate model for the latent function, usually a Gaussian…

Machine Learning · Statistics 2025-03-04 Xinyu Zhang , Daolang Huang , Samuel Kaski , Julien Martinelli

In this paper we develop a dynamic form of Bayesian optimization for machine learning models with the goal of rapidly finding good hyperparameter settings. Our method uses the partial information gained during the training of a machine…

Machine Learning · Statistics 2014-06-17 Kevin Swersky , Jasper Snoek , Ryan Prescott Adams

Active learning is able to reduce the amount of labelling effort by using a machine learning model to query the user for specific inputs. While there are many papers on new active learning techniques, these techniques rarely satisfy the…

Machine Learning · Computer Science 2020-06-18 Parmida Atighehchian , Frédéric Branchaud-Charron , Alexandre Lacoste

Projection-based model reduction is among the most widely adopted methods for constructing parametric Reduced-Order Models (ROM). Utilizing the snapshot data from solving full-order governing equations, the Proper Orthogonal Decomposition…

Machine Learning · Statistics 2025-09-16 Xiao Liu , Jingyi Feng , Xinchao Liu

Traditional reduced order modeling techniques such as the reduced basis (RB) method (relying, e.g., on proper orthogonal decomposition (POD)) suffer from severe limitations when dealing with nonlinear time-dependent parametrized PDEs,…

Numerical Analysis · Mathematics 2020-01-14 Stefania Fresca , Luca Dede , Andrea Manzoni

Over the past couple of decades, many active learning acquisition functions have been proposed, leaving practitioners with an unclear choice of which to use. Bayesian-based active learning offers principled objectives with explainable…

Machine Learning · Computer Science 2026-05-12 Kangping Hu , Stephen Mussmann

This paper shows how data-driven machine learning approaches can improve growth control, reproducibility, and physical insight in the pulsed laser deposition (PLD) growth of correlated oxides. Despite well-known relationships between growth…

There are a lot of real-world black-box optimization problems that need to optimize multiple criteria simultaneously. However, in a multi-objective optimization (MOO) problem, identifying the whole Pareto front requires the prohibitive…

Machine Learning · Computer Science 2023-11-23 Ryota Ozaki , Kazuki Ishikawa , Youhei Kanzaki , Shinya Suzuki , Shion Takeno , Ichiro Takeuchi , Masayuki Karasuyama

Model-based approaches for planning and control for bipedal locomotion have a long history of success. It can provide stability and safety guarantees while being effective in accomplishing many locomotion tasks. Model-free reinforcement…

Robotics · Computer Science 2023-10-17 Yu-Ming Chen , Hien Bui , Michael Posa

We propose a framework for online meta-optimization of parameters that govern optimization, called Amortized Proximal Optimization (APO). We first interpret various existing neural network optimizers as approximate stochastic proximal point…

Machine Learning · Computer Science 2022-03-02 Juhan Bae , Paul Vicol , Jeff Z. HaoChen , Roger Grosse