Bayesian optimization for materials design

3 June 2015

Papers citing "Bayesian optimization for materials design"

50 / 83 papers shown

Title
Bayesian Optimization with Inexact Acquisition: Is Random Grid Search Sufficient? Hwanwoo Kim Chong Liu Yuxin Chen 27 0 0 13 Jun 2025
Fast Bayesian Optimization of Function Networks with Partial Evaluations Poompol Buathong P. Frazier 15 0 0 13 Jun 2025
$$\texttt{LLINBO}$: Trustworthy LLM-in-the-Loop Bayesian Optimization$ $\texttt{LLINBO}$ : Trustworthy LLM-in-the-Loop Bayesian Optimization Chih-Yu Chang Milad Azvar Chinedum Okwudire Raed Al Kontar UQCV 83 0 0 20 May 2025
Turbocharging Gaussian Process Inference with Approximate Sketch-and-Project Pratik Rathore Zachary Frangella Sachin Garg Shaghayegh Fazliani Michał Dereziński Madeleine Udell 59 0 0 19 May 2025
Collaborative Bayesian Optimization via Wasserstein Barycenters Donglin Zhan Huatian Zhang Rhonda Righter Zeyu Zheng James Anderson 63 0 0 15 Apr 2025
Scenario Discovery for Urban Planning: The Case of Green Urbanism and the Impact on Stress Lorena Torres Lahoz C. L. Azevedo Leonardo Ancora Paulo Morgado Zenia Kotval Bruno Miranda Francisco Câmara Pereira 46 0 0 03 Apr 2025
Comparative Explanations: Explanation Guided Decision Making for Human-in-the-Loop Preference Selection Tanmay Chakraborty Christian Wirth Christin Seifert 54 0 0 01 Apr 2025
Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints Ahmed Shoyeb Raihan Zhichao Liu T. Bhuiyan I. Imtiaz Ahmed 80 0 0 27 Mar 2025
Quantum Non-Linear Bandit Optimization Zakaria Shams Siam Chaowen Guan Chong Liu 91 0 0 04 Mar 2025
Improving Oil Slick Trajectory Simulations with Bayesian Optimization Gabriele Accarino Marco M. De Carlo Igor Atake D. Elia Anusha L. Dissanayake ... Juan Peña Ibañez Italo Epicoco P. Nassisi S. Fiore Giovanni Coppini 85 0 0 04 Mar 2025
Optimistic Games for Combinatorial Bayesian Optimization with Application to Protein Design Melis Ilayda Bal Pier Giuseppe Sessa Mojmír Mutný Andreas Krause 115 1 0 27 Sep 2024
Process-constrained batch Bayesian approaches for yield optimization in multi-reactor systems Markus Grimm Sébastien Paul Pierre Chainais 73 0 0 05 Aug 2024
Anvil: An integration of artificial intelligence, sampling techniques, and a combined CAD-CFD tool Harsh Vardhan U. Timalsina Michael Sandborn David Hyde Péter Völgyesi J. Sztipanovits 66 0 0 24 Jun 2024
BO4IO: A Bayesian optimization approach to inverse optimization with uncertainty quantification Yen-An Lu Wei-Shou Hu J. Paulson Qi Zhang 54 1 0 28 May 2024
An adaptive approach to Bayesian Optimization with switching costs Stefan Pricopie Richard Allmendinger Manuel López-Ibánez Clyde Fare Matt Benatan Joshua D. Knowles 50 0 0 14 May 2024
Evolve Cost-aware Acquisition Functions Using Large Language Models Yiming Yao Fei Liu Ji Cheng Qingfu Zhang 125 8 0 25 Apr 2024
An Adaptive Dimension Reduction Estimation Method for High-dimensional Bayesian Optimization Shouri Hu Jiawei Li Zhibo Cai 55 1 0 08 Mar 2024
Explaining Bayesian Optimization by Shapley Values Facilitates Human-AI Collaboration Julian Rodemann Federico Croppi Philipp Arens Yusuf Sale J. Herbinger B. Bischl Eyke Hüllermeier Thomas Augustin Conor J. Walsh Giuseppe Casalicchio 96 7 0 07 Mar 2024
Reinforced In-Context Black-Box Optimization Lei Song Chenxiao Gao Ke Xue Chenyang Wu Dong Li Haifeng Zhang Zongzhang Zhang Chao Qian 104 4 0 27 Feb 2024
Explainable Bayesian Optimization Tanmay Chakraborty Christin Seifert Christian Wirth 129 6 0 24 Jan 2024
An Augmented Surprise-guided Sequential Learning Framework for Predicting the Melt Pool Geometry Ahmed Shoyeb Raihan H. Khosravi T. Bhuiyan Imtiaz Ahmed AI4CE 66 7 0 10 Jan 2024
Regret Optimality of GP-UCB Wenjia Wang Xiaowei Zhang Lu Zou 62 1 0 03 Dec 2023
Accelerating material discovery with a threshold-driven hybrid acquisition policy-based Bayesian optimization Ahmed Shoyeb Raihan H. Khosravi Srinjoy Das Imtiaz Ahmed 65 4 0 16 Nov 2023
Joint Composite Latent Space Bayesian Optimization Natalie Maus Zhiyuan Jerry Lin Maximilian Balandat E. Bakshy BDL 99 2 0 03 Nov 2023
Communication-Efficient Federated Non-Linear Bandit Optimization Chuanhao Li Chong Liu Yu Wang FedML 57 1 0 03 Nov 2023
BeBOP -- Combining Reactive Planning and Bayesian Optimization to Solve Robotic Manipulation Tasks Jonathan Styrud Matthias Mayr Erik Hellsten Volker Krueger Christian Smith 60 9 0 02 Oct 2023
Transfer Learning for Bayesian Optimization on Heterogeneous Search Spaces Maria-Irina Nicolae Max Eisele Zehao Wang 65 9 0 28 Sep 2023
MALIBO: Meta-learning for Likelihood-free Bayesian Optimization Jia Pan Stefan Falkner Felix Berkenkamp Joaquin Vanschoren 86 1 0 07 Jul 2023
Bayesian Optimisation Against Climate Change: Applications and Benchmarks Sigrid Passano Hellan Christopher G. Lucas Nigel H. Goddard 126 1 0 07 Jun 2023
Uncertainty Quantification in Machine Learning for Engineering Design and Health Prognostics: A Tutorial V. Nemani Luca Biggio Xun Huan Zhen Hu Olga Fink Anh Tran Yan Wang Xiaoge Zhang Chao Hu AI4CE 116 81 0 07 May 2023
Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspaces Leonard Papenmeier Luigi Nardi Matthias Poloczek 63 40 0 22 Apr 2023
Self-Correcting Bayesian Optimization through Bayesian Active Learning Carl Hvarfner E. Hellsten Frank Hutter Luigi Nardi GP 90 16 0 21 Apr 2023
Active Learning and Bayesian Optimization: a Unified Perspective to Learn with a Goal Francesco Di Fiore Michela Nardelli L. Mainini 89 22 0 02 Mar 2023
Guiding the Sequential Experiments in Autonomous Experimentation Platforms through EI-based Bayesian Optimization and Bayesian Model Averaging Ahmed Shoyeb Raihan Imtiaz Ahmed 28 3 0 26 Feb 2023
Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks Yigitcan Comlek T. D. Pham R. Snurr Wei Chen AI4CE 54 18 0 17 Feb 2023
Global Optimization with Parametric Function Approximation Chong Liu Yu Wang 65 7 0 16 Nov 2022
A Bayesian Optimization Framework for Finding Local Optima in Expensive Multi-Modal Functions Yongsheng Mei Tian-Shing Lan Mahdi Imani Suresh Subramaniam GP 85 17 0 13 Oct 2022
Lower Bounds on the Worst-Case Complexity of Efficient Global Optimization Wenjie Xu Yuning Jiang E. Maddalena Colin N. Jones 78 9 0 20 Sep 2022
Event-Triggered Time-Varying Bayesian Optimization Paul Brunzema Alexander von Rohr Friedrich Solowjow Sebastian Trimpe 87 8 0 23 Aug 2022
Optimization of the Shape of a Hydrokinetic Turbine's Draft Tube and Hub Assembly Using Design-by-Morphing with Bayesian Optimization Haris Moazam Sheikh Tess A. Callan Kealan J. Hennessy P. Marcus AI4CE 108 11 0 23 Jul 2022
Recent Advances in Bayesian Optimization Xilu Wang Yaochu Jin Sebastian Schmitt Markus Olhofer 86 233 0 07 Jun 2022
Adjusted Expected Improvement for Cumulative Regret Minimization in Noisy Bayesian Optimization Shouri Hu Haowei Wang Zhongxiang Dai K. H. Low Szu Hui Ng 65 4 0 10 May 2022
Multi-armed bandits for resource efficient, online optimization of language model pre-training: the use case of dynamic masking Iñigo Urteaga Moulay Draidia Tomer Lancewicki Shahram Khadivi AI4CE 57 1 0 24 Mar 2022
Preference Exploration for Efficient Bayesian Optimization with Multiple Outcomes Zhiyuan Jerry Lin Raul Astudillo P. Frazier E. Bakshy 86 38 0 21 Mar 2022
Bayesian Optimization For Multi-Objective Mixed-Variable Problems Haris Moazam Sheikh P. Marcus 73 12 0 30 Jan 2022
Automated Reinforcement Learning (AutoRL): A Survey and Open Problems Jack Parker-Holder Raghunandan Rajan Xingyou Song André Biedenkapp Yingjie Miao ... Vu-Linh Nguyen Roberto Calandra Aleksandra Faust Frank Hutter Marius Lindauer AI4CE 112 107 0 11 Jan 2022
Online Calibrated and Conformal Prediction Improves Bayesian Optimization Shachi Deshpande Charles Marx Volodymyr Kuleshov 85 8 0 08 Dec 2021
Bayesian Optimization over Permutation Spaces Aryan Deshwal Syrine Belakaria J. Doppa D. Kim 125 21 0 02 Dec 2021
Optimizing High-Dimensional Physics Simulations via Composite Bayesian Optimization Wesley J. Maddox Qing Feng Maximilian Balandat 72 7 0 29 Nov 2021
Accounting for Gaussian Process Imprecision in Bayesian Optimization Julian Rodemann Thomas Augustin 27 16 0 16 Nov 2021