Discovering Many Diverse Solutions with Bayesian Optimization

20 October 2022

Papers citing "Discovering Many Diverse Solutions with Bayesian Optimization"

23 / 23 papers shown

Title
Latent Bayesian Optimization via Autoregressive Normalizing Flows Seunghun Lee Jinyoung Park Jaewon Chu Minseo Yoon H. Kim BDL 25 1 0 21 Apr 2025
Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization N. Maus Kyurae Kim Yimeng Zeng Haydn Jones Fangping Wan Marcelo Der Torossian Torres Cesar de la Fuente-Nunez J. Gardner 75 0 0 31 Jan 2025
Robust Gaussian Processes via Relevance Pursuit Sebastian Ament Elizabeth Santorella David Eriksson Ben Letham Maximilian Balandat E. Bakshy GP 34 0 0 08 Jan 2025
BEACON: A Bayesian Optimization Strategy for Novelty Search in Expensive Black-Box Systems Wei-Ting Tang Ankush Chakrabarty J. Paulson 57 0 0 31 Dec 2024
Stein Variational Evolution Strategies Cornelius V. Braun Robert T. Lange Marc Toussaint 21 0 0 14 Oct 2024
Batched Energy-Entropy acquisition for Bayesian Optimization Felix Teufel Carsten Stahlhut J. Ferkinghoff-Borg 21 0 0 11 Oct 2024
A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences Miguel González Duque Richard Michael Simon Bartels Yevgen Zainchkovskyy Søren Hauberg Wouter Boomsma 24 4 0 07 Jun 2024
Approximation-Aware Bayesian Optimization N. Maus Kyurae Kim Geoff Pleiss David Eriksson John P. Cunningham Jacob R. Gardner 27 1 0 06 Jun 2024
Quality-Weighted Vendi Scores And Their Application To Diverse Experimental Design Quan Nguyen Adji Bousso Dieng 28 6 0 03 May 2024
Beyond Regrets: Geometric Metrics for Bayesian Optimization Jungtaek Kim 29 0 0 03 Jan 2024
Expert-guided Bayesian Optimisation for Human-in-the-loop Experimental Design of Known Systems Tom Savage Ehecatl Antonio del Rio Chanona 15 2 0 05 Dec 2023
Joint Composite Latent Space Bayesian Optimization Natalie Maus Zhiyuan Jerry Lin Maximilian Balandat E. Bakshy BDL 25 2 0 03 Nov 2023
Cousins Of The Vendi Score: A Family Of Similarity-Based Diversity Metrics For Science And Machine Learning Amey P. Pasarkar Adji Bousso Dieng 17 10 0 19 Oct 2023
Pareto Optimization to Accelerate Multi-Objective Virtual Screening Jenna C. Fromer David E. Graff Connor W. Coley 23 7 0 16 Oct 2023
Multi-Fidelity Active Learning with GFlowNets Alex Hernandez-Garcia Nikita Saxena Moksh Jain Cheng-Hao Liu Yoshua Bengio AI4CE 17 14 0 20 Jun 2023
Inverse Protein Folding Using Deep Bayesian Optimization N. Maus Yimeng Zeng Daniel A. Anderson Phillip M. Maffettone Aaron C. Solomon Peyton Greenside Osbert Bastani Jacob R. Gardner 15 2 0 25 May 2023
The Behavior and Convergence of Local Bayesian Optimization Kaiwen Wu Kyurae Kim Roman Garnett J. Gardner 30 9 0 24 May 2023
An Equivariant Generative Framework for Molecular Graph-Structure Co-Design Zaixin Zhang Qi Liu Cheekong Lee Chang-Yu Hsieh Enhong Chen 8 18 0 12 Apr 2023
Multi-Objective GFlowNets Moksh Jain Sharath Chandra Raparthy Alex Hernandez-Garcia Jarrid Rector-Brooks Yoshua Bengio Santiago Miret Emmanuel Bengio 17 86 0 23 Oct 2022
Local Latent Space Bayesian Optimization over Structured Inputs N. Maus Haydn Jones Juston Moore Matt J. Kusner John Bradshaw J. Gardner BDL 47 69 0 28 Jan 2022
Accelerating high-throughput virtual screening through molecular pool-based active learning David E. Graff E. Shakhnovich Connor W. Coley 76 139 0 13 Dec 2020
Re-Examining Linear Embeddings for High-Dimensional Bayesian Optimization Benjamin Letham Roberto Calandra Akshara Rai E. Bakshy 64 108 0 31 Jan 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 211 1,329 0 12 Feb 2018