Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular
Property Prediction

Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction

5 May 2022

José Miguel Hernández-Lobato

Papers citing "Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction"

13 / 13 papers shown

Title
GOLLuM: Gaussian Process Optimized LLMs -- Reframing LLM Finetuning through Bayesian Optimization Bojana Ranković P. Schwaller BDL 172 0 0 08 Apr 2025
Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction Zeyu Wang Tianyi Jiang Yao Lu Xiaoze Bao Shanqing Yu Bin Wei Qi Xuan 42 1 0 24 May 2024
In-Context Learning for Few-Shot Molecular Property Prediction Christopher Fifty J. Leskovec Sebastian Thrun 36 5 0 13 Oct 2023
A Survey of Imbalanced Learning on Graphs: Problems, Techniques, and Future Directions Zemin Liu Yuan N. Li Nan-Fang Chen Qian Wang Bryan Hooi Bin He FaML 14 13 0 26 Aug 2023
Gradient-based Bi-level Optimization for Deep Learning: A Survey Can Chen Xiangshan Chen Chen-li Ma Zixuan Liu Xue Liu 86 35 0 24 Jul 2022
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design Miguel García-Ortegón G. Simm Austin Tripp José Miguel Hernández-Lobato A. Bender S. Bacallado 37 75 0 29 Oct 2021
Meta-Calibration: Learning of Model Calibration Using Differentiable Expected Calibration Error Ondrej Bohdal Yongxin Yang Timothy M. Hospedales UQCV OOD 43 21 0 17 Jun 2021
Few-Shot Graph Learning for Molecular Property Prediction Zhichun Guo Chuxu Zhang W. Yu John E. Herr Olaf Wiest Meng Jiang Nitesh V. Chawla AI4CE 116 170 0 16 Feb 2021
On Solving Minimax Optimization Locally: A Follow-the-Ridge Approach Yuanhao Wang Guodong Zhang Jimmy Ba 33 100 0 16 Oct 2019
Adversarial Examples, Uncertainty, and Transfer Testing Robustness in Gaussian Process Hybrid Deep Networks John Bradshaw A. G. Matthews Zoubin Ghahramani BDL AAML 68 171 0 08 Jul 2017
Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks Chelsea Finn Pieter Abbeel Sergey Levine OOD 338 11,684 0 09 Mar 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 184 1,778 0 02 Mar 2017
Manifold Gaussian Processes for Regression Roberto Calandra Jan Peters C. Rasmussen M. Deisenroth 89 271 0 24 Feb 2014