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Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a…

Machine Learning · Computer Science 2019-09-05 Renqian Luo , Fei Tian , Tao Qin , Enhong Chen , Tie-Yan Liu

Discovering optimal designs through sequential data collection is essential in many real-world applications. While Bayesian Optimization (BO) has achieved remarkable success in this setting, growing attention has recently turned to…

Machine Learning · Computer Science 2026-04-22 Chih-Yu Chang , Qiyuan Chen , Tianhan Gao , David Fenning , Chinedum Okwudire , Neil Dasgupta , Wei Lu , Raed Al Kontar

Surrogate-assisted Evolutionary Algorithms~(SAEAs) have shown promising robustness in solving expensive optimization problems. A key aspect that impacts SAEAs' effectiveness is surrogate model selection, which in existing works is…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Yuxin Wu , Hongshu Guo , Ting Huang , Yue-Jiao Gong , Zeyuan Ma

Bayesian neural networks (BNNs) have been long considered an ideal, yet unscalable solution for improving the robustness and the predictive uncertainty of deep neural networks. While they could capture more accurately the posterior…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Gianni Franchi , Andrei Bursuc , Emanuel Aldea , Severine Dubuisson , Isabelle Bloch

Next-generation edge intelligence is anticipated to benefit various applications via offloading techniques. However, traditional offloading architectures face several issues, including heterogeneous constraints, partial perception,…

Artificial Intelligence · Computer Science 2024-08-06 Li Dong , Feibo Jiang , Yubo Peng , Kezhi Wang , Kun Yang , Cunhua Pan , Robert Schober

Physics simulations like computational fluid dynamics (CFD) are a computational bottleneck in computer-aided design (CAD) optimization processes. To overcome this bottleneck, one requires either an optimization framework that is highly…

Machine Learning · Computer Science 2024-08-29 Harsh Vardhan , David Hyde , Umesh Timalsina , Peter Volgyesi , Janos Sztipanovits

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

Adaptive experimental designs have gained increasing attention across a range of domains. In this paper, we propose a new methodological framework, surrogate-leveraged online adaptive causal inference (SLOACI), which integrates predictive…

Methodology · Statistics 2025-12-09 Yingying Fan , Zihan Wang , Waverly Wei

Bayesian optimal experimental design (BOED) is a methodology to identify experiments that are expected to yield informative data. Recent work in cognitive science considered BOED for computational models of human behavior with tractable and…

Machine Learning · Computer Science 2021-11-01 Simon Valentin , Steven Kleinegesse , Neil R. Bramley , Michael U. Gutmann , Christopher G. Lucas

We consider optimal experimental design (OED) for Bayesian nonlinear inverse problems governed by partial differential equations (PDEs) under model uncertainty. Specifically, we consider inverse problems in which, in addition to the…

Numerical Analysis · Mathematics 2024-07-03 Alen Alexanderian , Ruanui Nicholson , Noemi Petra

Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existing works build the model in the original…

Machine Learning · Computer Science 2024-12-23 Tian Wang , Chuang Wang

We introduce a novel semi-supervised learning approach, named Teacher-Student Bayesian Optimization ($\texttt{TSBO}$), integrating the teacher-student paradigm into BO to minimize expensive labeled data queries for the first time.…

Machine Learning · Computer Science 2024-10-25 Yuxuan Yin , Yu Wang , Peng Li

Neural operators (NOs) provide a new paradigm for efficiently solving partial differential equations (PDEs), but their training depends on costly high-fidelity data from numerical solvers, limiting applications in complex systems. We…

Computational Physics · Physics 2026-05-18 Wen You , Shaoqian Zhou , Xuhui Meng

In robotics, deep learning (DL) methods are used more and more widely, but their general inability to provide reliable confidence estimates will ultimately lead to fragile and unreliable systems. This impedes the potential deployments of DL…

Robotics · Computer Science 2020-11-02 Matthias Humt , Jongseok Lee , Rudolph Triebel

Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine learning based optimization strategy, has been leveraged to…

Machine Learning · Computer Science 2025-04-04 Yuxuan Yin , Yu Wang , Boxun Xu , Peng Li

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

Machine Learning · Computer Science 2024-09-20 Arpan Biswas , Rama Vasudevan , Rohit Pant , Ichiro Takeuchi , Hiroshi Funakubo , Yongtao Liu

We introduce a method combining variational autoencoders (VAEs) and deep metric learning to perform Bayesian optimisation (BO) over high-dimensional and structured input spaces. By adapting ideas from deep metric learning, we use label…

Bayesian optimization (BO) is a powerful approach for optimizing black-box, expensive-to-evaluate functions. To enable a flexible trade-off between the cost and accuracy, many applications allow the function to be evaluated at different…

Machine Learning · Computer Science 2021-10-27 Shibo Li , Robert M. Kirby , Shandian Zhe

We develop Latent Exploration Score (LES) to mitigate over-exploration in Latent Space Optimization (LSO), a popular method for solving black-box discrete optimization problems. LSO utilizes continuous optimization within the latent space…

Machine Learning · Computer Science 2025-02-25 Omer Ronen , Ahmed Imtiaz Humayun , Richard Baraniuk , Randall Balestriero , Bin Yu

Engineering problems that are modeled using sophisticated mathematical methods or are characterized by expensive-to-conduct tests or experiments, are encumbered with limited budget or finite computational resources. Moreover, practical…

Machine Learning · Computer Science 2021-12-24 Yonatan Ashenafi , Piyush Pandita , Sayan Ghosh