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Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

Partial differential equations (PDEs) govern a wide variety of dynamical processes in science and engineering, yet obtaining their numerical solutions often requires high-resolution discretizations and repeated evaluations of complex…

Machine Learning · Computer Science 2026-01-26 Valentin Duruisseaux , Jean Kossaifi , Anima Anandkumar

Despite the recent success of Bayesian optimization (BO) in a variety of applications where sample efficiency is imperative, its performance may be seriously compromised in settings characterized by high-dimensional parameter spaces. A…

Machine Learning · Computer Science 2020-11-26 Noémie Jaquier , Leonel Rozo

Implicit neural networks, a.k.a., deep equilibrium networks, are a class of implicit-depth learning models where function evaluation is performed by solving a fixed point equation. They generalize classic feedforward models and are…

Machine Learning · Computer Science 2022-01-27 Saber Jafarpour , Alexander Davydov , Anton V. Proskurnikov , Francesco Bullo

It is commonly believed that Bayesian optimization (BO) algorithms are highly efficient for optimizing numerically costly functions. However, BO is not often compared to widely different alternatives, and is mostly tested on narrow sets of…

Optimization and Control · Mathematics 2021-10-01 Rodolphe Le Riche , Victor Picheny

In this paper, we study the finite element operator network (FEONet), an operator-learning method for parametric problems, originally introduced in J. Y. Lee, S. Ko, and Y. Hong, Finite Element Operator Network for Solving Elliptic-Type…

Numerical Analysis · Mathematics 2026-01-05 Seungchan Ko , Jiyeon Kim , Dongwook Shin

Bayesian optimization (BO) is a popular black-box function optimization method, which makes sequential decisions based on a Bayesian model, typically a Gaussian process (GP), of the function. To ensure the quality of the model, transfer…

Machine Learning · Computer Science 2024-02-15 Zhou Fan , Xinran Han , Zi Wang

This paper considers Bayesian optimization (BO) for problems with known outer problem structure. In contrast to the classic BO setting, where the objective function itself is unknown and needs to be iteratively estimated from noisy…

Optimization and Control · Mathematics 2025-03-19 Katrin Baumgärtner , Moritz Diehl

Single-operator learning involves training a deep neural network to learn a specific operator, whereas recent work in multi-operator learning uses an operator embedding structure to train a single neural network on data from multiple…

Machine Learning · Computer Science 2025-06-16 Jingmin Sun , Zecheng Zhang , Hayden Schaeffer

This paper introduces the BOW Planner, a scalable motion planning algorithm designed to navigate robots through complex environments using constrained Bayesian optimization (CBO). Unlike traditional methods, which often struggle with…

Robotics · Computer Science 2026-05-01 Sourav Raxit , Abdullah Al Redwan Newaz , Paulo Padrao , Jose Fuentes , Leonardo Bobadilla

Neural Operators that directly learn mappings between function spaces, such as Deep Operator Networks (DONs) and Fourier Neural Operators (FNOs), have received considerable attention. Despite the universal approximation guarantees for DONs…

Machine Learning · Computer Science 2025-02-04 Pedro Cisneros-Velarde , Bhavesh Shrimali , Arindam Banerjee

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box objective functions. However, the application of BO to areas such as recommendation systems often requires taking the interpretability and…

Machine Learning · Computer Science 2023-03-06 Sulin Liu , Qing Feng , David Eriksson , Benjamin Letham , Eytan Bakshy

Operator learning trains a neural network to map functions to functions. An ideal operator learning framework should be mesh-free in the sense that the training does not require a particular choice of discretization for the input functions,…

Numerical Analysis · Mathematics 2022-12-15 Zecheng Zhang , Wing Tat Leung , Hayden Schaeffer

Despite all the success that deep neural networks have seen in classifying certain datasets, the challenge of finding optimal solutions that generalize still remains. In this paper, we propose the Boundary Optimizing Network (BON), a new…

Machine Learning · Computer Science 2018-01-24 Marco Singh , Akshay Pai

Scaling generative AI models is bottlenecked by the scarcity of high-quality training data. The ease of synthesizing from a generative model suggests using (unverified) synthetic data to augment a limited corpus of real data for the purpose…

Graphics · Computer Science 2025-10-15 Sina Alemohammad , Zhangyang Wang , Richard G. Baraniuk

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO,…

Machine Learning · Computer Science 2022-06-17 Sebastian Ament , Carla Gomes

Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a…

Machine Learning · Computer Science 2021-04-26 Andrés Camero , Hao Wang , Enrique Alba , Thomas Bäck

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling.…

Machine Learning · Computer Science 2023-10-02 Yuxuan Liu , Zecheng Zhang , Hayden Schaeffer

Deep Learning research is advancing at a fantastic rate, and there is much to gain from transferring this knowledge to older fields like Computational Fluid Dynamics in practical engineering contexts. This work compares state-of-the-art…

Computational Physics · Physics 2020-10-01 Pierre Jacquier , Azzedine Abdedou , Vincent Delmas , Azzeddine Soulaimani

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO…

Computational Engineering, Finance, and Science · Computer Science 2024-04-09 Rosen , Yu , Cyril Picard , Faez Ahmed