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We introduce a fully stochastic gradient based approach to Bayesian optimal experimental design (BOED). Our approach utilizes variational lower bounds on the expected information gain (EIG) of an experiment that can be simultaneously…

Machine Learning · Statistics 2020-02-28 Adam Foster , Martin Jankowiak , Matthew O'Meara , Yee Whye Teh , Tom Rainforth

Bayesian Optimization (BO) has been recognized for its effectiveness in optimizing expensive and complex objective functions. Recent advancements in Latent Bayesian Optimization (LBO) have shown promise by integrating generative models such…

Machine Learning · Computer Science 2025-04-22 Seunghun Lee , Jinyoung Park , Jaewon Chu , Minseo Yoon , Hyunwoo J. Kim

We address the problem of optimal experimental design (OED) for Bayesian nonlinear inverse problems governed by PDEs. The goal is to find a placement of sensors, at which experimental data are collected, so as to minimize the uncertainty in…

Optimization and Control · Mathematics 2015-11-04 Alen Alexanderian , Noemi Petra , Georg Stadler , Omar Ghattas

Diffusion models have emerged as powerful generative tools for modeling complex data distributions, yet their purely data-driven nature limits applicability in practical engineering and scientific problems where physical laws need to be…

In the last decades, the blossoming of experimental breakthroughs in the domain of electron energy loss spectroscopy (EELS) has triggered a variety of theoretical developments. Those have to deal with completely different situations, from…

Mesoscale and Nanoscale Physics · Physics 2021-02-10 Hugo Lourenço-Martins , Axel Lubk , Mathieu Kociak

In this paper, we introduce an innovative approach for addressing Bayesian inverse problems through the utilization of physics-informed invertible neural networks (PI-INN). The PI-INN framework encompasses two sub-networks: an invertible…

Numerical Analysis · Mathematics 2023-10-04 Xiaofei Guan , Xintong Wang , Hao Wu , Zihao Yang , Peng Yu

The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…

Chemical Physics · Physics 2022-06-29 Andrea Grisafi , Alan M. Lewis , Mariana Rossi , Michele Ceriotti

MeV ultrafast electron diffraction (UED) is a widely used technology for ultrafast structural dynamic studies of matters in numerous areas. The development of laser wakefield accelerator (LWFA) envisions great potential of advanced…

Accelerator Physics · Physics 2024-04-22 Yu Fang , Fei Li , Jianfei Hua , Bo Guo , Linyi Zhou , Bing Zhou , Zhihao Chen , Jianyi Liu , Zheng Zhou , Yipeng Wu , Yingchao Du , Renkai Li , Wei Lu

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often non-differentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition…

Machine Learning · Computer Science 2024-02-22 Arpan Biswas , Sai Mani Prudhvi Valleti , Rama Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin

Signal recovery from nonlinear measurements involves solving an iterative optimization problem. In this paper, we present a framework to optimize the sensing parameters to improve the quality of the signal recovered by the given iterative…

Image and Video Processing · Electrical Eng. & Systems 2020-06-09 Zikui Cai , Rakib Hyder , M. Salman Asif

Bayesian optimization (BO) has been broadly applied to computational expensive problems, but it is still challenging to extend BO to high dimensions. Existing works are usually under strict assumption of an additive or a linear embedding…

Machine Learning · Computer Science 2019-07-23 Miao Zhang , Huiqi Li , Steven Su

In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporating microstructural information. Traditional materials design…

Materials Science · Physics 2025-02-07 Danial Khatamsaz , Vahid Attari , Raymundo Arroyave

Learning-based methods have made promising advances in low-light RAW image enhancement, while their capability to extremely dark scenes where the environmental illuminance drops as low as 0.0001 lux remains to be explored due to the lack of…

Computer Vision and Pattern Recognition · Computer Science 2025-07-31 Hai Jiang , Binhao Guan , Zhen Liu , Xiaohong Liu , Jian Yu , Zheng Liu , Songchen Han , Shuaicheng Liu

Next-generation particle accelerators demand advanced beam-diagnostic capabilities to ensure high performance, operational reliability, and sustainable machine operation. Increasing beam intensities and stored energies make the precise…

Accelerator Physics · Physics 2026-03-10 Francis René Osswald , Mohammed Chahbaoui , Xinyi Liang

Bayesian experimental design (BED) is to answer the question that how to choose designs that maximize the information gathering. For implicit models, where the likelihood is intractable but sampling is possible, conventional BED methods…

Machine Learning · Computer Science 2021-03-16 Jiaxin Zhang , Sirui Bi , Guannan Zhang

High quality electron beams, with high spatial and tempo- ral resolution, have an important use in electron diffraction experiments to probe and study the constituents of matter. A cold electron source is being developed based on elec- tron…

Accelerator Physics · Physics 2015-05-12 R Appleby , W. Bertsche , M. Harvey , M. Jones , B. Kyle , O. Mete , A. Murray , G. Xia

To further improve Lithium-ion batteries (LiBs), a profound understanding of complex battery processes is crucial. Physical models offer understanding but are difficult to validate and parameterize. Therefore, automated machine-learning…

Chemical Physics · Physics 2024-10-28 Micha C. J. Philipp , Yannick Kuhn , Arnulf Latz , Birger Horstmann

Traditional methods for optimizing light source emissions rely on a time-consuming trial-and-error approach. While in-situ optimization of light source gain media emission during growth is ideal, it has yet to be realized. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2024-11-04 Chao Shen , Wenkang Zhan , Shujie Pan , Hongyue Hao , Ning Zhuo , Kaiyao Xin , Hui Cong , Chi Xu , Bo Xu , Tien Khee Ng , Siming Chen , Chunlai Xue , Fengqi Liu , Zhanguo Wang , Chao Zhao

We introduce a novel reflection-mode diffraction tomography technique that enables simultaneous recovery of forward and backward scattering information for high-resolution 3D refractive index reconstruction. Our technique works by imaging a…

Optics · Physics 2025-02-12 Tongyu Li , Jiabei Zhu , Yi Shen , Lei Tian

Many real-world optimisation problems such as hyperparameter tuning in machine learning or simulation-based optimisation can be formulated as expensive-to-evaluate black-box functions. A popular approach to tackle such problems is Bayesian…

Machine Learning · Computer Science 2021-05-28 Juan Ungredda , Juergen Branke
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