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Bayesian Optimization (BO) is used to find the global optima of black box functions. In this work, we propose a practical BO method of function compositions where the form of the composition is known but the constituent functions are…

Machine Learning · Computer Science 2023-05-02 Kunal Jain , Prabuchandran K. J. , Tejas Bodas

Neural operators aim to approximate the solution operator of a system of differential equations purely from data. They have shown immense success in modeling complex dynamical systems across various domains. However, the occurrence of…

Machine Learning · Computer Science 2025-04-01 Christopher Bülte , Philipp Scholl , Gitta Kutyniok

Operator regression provides a powerful means of constructing discretization-invariant emulators for partial-differential equations (PDEs) describing physical systems. Neural operators specifically employ deep neural networks to approximate…

Machine Learning · Computer Science 2023-04-18 Katiana Kontolati , Somdatta Goswami , George Em Karniadakis , Michael D. Shields

We consider the problem of learning structures and parameters of Continuous-time Bayesian Networks (CTBNs) from time-course data under minimal experimental resources. In practice, the cost of generating experimental data poses a bottleneck,…

Machine Learning · Statistics 2022-01-12 Dominik Linzner , Heinz Koeppl

We describe an approach for incorporating prior knowledge into machine learning algorithms. We aim at applications in physics and signal processing in which we know that certain operations must be embedded into the algorithm. Any operation…

Sequential Bayesian inference over predictive functions is a natural framework for continual learning from streams of data. However, applying it to neural networks has proved challenging in practice. Addressing the drawbacks of existing…

Machine Learning · Statistics 2023-12-29 Tim G. J. Rudner , Freddie Bickford Smith , Qixuan Feng , Yee Whye Teh , Yarin Gal

Modern digital engineering design process commonly involves expensive repeated simulations on varying three-dimensional (3D) geometries. The efficient prediction capability of neural networks (NNs) makes them a suitable surrogate to provide…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Seid Koric , Diab Abueidda , Ali Najafi , Iwona Jasiuk

Two ideas taken from Bayesian optimization and classifier systems are presented for personnel scheduling based on choosing a suitable scheduling rule from a set for each persons assignment. Unlike our previous work of using genetic…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Jingpeng Li , Uwe Aickelin

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

The recently introduced DeepONet operator-learning framework for PDE control is extended from the results for basic hyperbolic and parabolic PDEs to an advanced hyperbolic class that involves delays on both the state and the system output…

Optimization and Control · Mathematics 2024-06-17 Jie Qi , Jing Zhang , Miroslav Krstic

Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis.…

Machine Learning · Computer Science 2023-10-04 Emanuele Zappala , Daniel Levine , Sizhuang He , Syed Rizvi , Sacha Levy , David van Dijk

A Bayesian network is a widely used probabilistic graphical model with applications in knowledge discovery and prediction. Learning a Bayesian network (BN) from data can be cast as an optimization problem using the well-known…

Artificial Intelligence · Computer Science 2020-09-01 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

Recently, deep Convolutional Neural Networks (CNNs) have proven to be successful when employed in areas such as reduced order modeling of parametrized PDEs. Despite their accuracy and efficiency, the approaches available in the literature…

Numerical Analysis · Mathematics 2023-01-26 Nicola Rares Franco , Stefania Fresca , Andrea Manzoni , Paolo Zunino

Bayesian Optimization (BO) is a powerful tool for optimizing complex non-linear systems. However, its performance degrades in high-dimensional problems with tightly coupled parameters and highly asymmetric objective landscapes, where…

Machine Learning · Computer Science 2026-02-12 Aashwin Mishra , Matt Seaberg , Ryan Roussel , Daniel Ratner , Apurva Mehta

This paper addresses the need for deep learning models to integrate well-defined constraints into their outputs, driven by their application in surrogate models, learning with limited data and partial information, and scenarios requiring…

Machine Learning · Statistics 2024-07-02 Rahul Rathnakumar , Jiayu Huang , Hao Yan , Yongming Liu

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators…

Machine Learning · Computer Science 2023-02-22 Jacob H. Seidman , Georgios Kissas , George J. Pappas , Paris Perdikaris

Bilevel optimization (BO) is useful for solving a variety of important machine learning problems including but not limited to hyperparameter optimization, meta-learning, continual learning, and reinforcement learning. Conventional BO…

Machine Learning · Computer Science 2022-09-20 Mao Ye , Bo Liu , Stephen Wright , Peter Stone , Qiang Liu

Bayesian optimisation (BO) has been a successful approach to optimise functions which are expensive to evaluate and whose observations are noisy. Classical BO algorithms, however, do not account for errors about the location where…

Machine Learning · Computer Science 2019-02-22 Rafael Oliveira , Lionel Ott , Fabio Ramos

Self-Organized Operational Neural Networks (Self-ONNs) have recently been proposed as new-generation neural network models with nonlinear learning units, i.e., the generative neurons that yield an elegant level of diversity; however, like…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Serkan Kiranyaz , Junaid Malik , Mehmet Yamac , Mert Duman , Ilke Adalioglu , Esin Guldogan , Turker Ince , Moncef Gabbouj

Neural operator learning models have emerged as very effective surrogates in data-driven methods for partial differential equations (PDEs) across different applications from computational science and engineering. Such operator learning…

Machine Learning · Computer Science 2024-05-30 Benjamin Shih , Ahmad Peyvan , Zhongqiang Zhang , George Em Karniadakis