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José Miguel Hernández-Lobato
Title
Cited by
Year
Deep Kernel learning for reaction outcome prediction and optimization
S Singh, JM Hernández-Lobato
Communications Chemistry 7 (1), 136, 2024
2024
Diagnosing and fixing common problems in Bayesian optimization for molecule design
A Tripp, JM Hernández-Lobato
arXiv preprint arXiv:2406.07709, 2024
2024
Improving Antibody Design with Force-Guided Sampling in Diffusion Models
P Kulytė, F Vargas, SV Mathis, YG Wang, JM Hernández-Lobato, P Liò
arXiv preprint arXiv:2406.05832, 2024
2024
Improving Linear System Solvers for Hyperparameter Optimisation in Iterative Gaussian Processes
JA Lin, S Padhy, B Mlodozeniec, J Antorán, JM Hernández-Lobato
arXiv preprint arXiv:2405.18457, 2024
2024
Warm Start Marginal Likelihood Optimisation for Iterative Gaussian Processes
JA Lin, S Padhy, B Mlodozeniec, JM Hernández-Lobato
arXiv preprint arXiv:2405.18328, 2024
2024
Accelerating Relative Entropy Coding with Space Partitioning
J He, G Flamich, JM Hernández-Lobato
arXiv preprint arXiv:2405.12203, 2024
2024
Generative Active Learning for the Search of Small-molecule Protein Binders
M Korablyov, CH Liu, M Jain, AM van der Sloot, E Jolicoeur, E Ruediger, ...
arXiv preprint arXiv:2405.01616, 2024
22024
A Generative Model of Symmetry Transformations
JU Allingham, BK Mlodozeniec, S Padhy, J Antorán, D Krueger, ...
arXiv preprint arXiv:2403.01946, 2024
2024
Guided autoregressive diffusion models with applications to PDE simulation
F Bergamin, C Diaconu, A Shysheya, P Perdikaris, JM Hernández-Lobato, ...
ICLR 2024 Workshop on AI4DifferentialEquations In Science, 2024
22024
A Generative Model of Symmetry Transformations
J Urquhart Allingham, B Kacper Mlodozeniec, S Padhy, J Antorán, ...
arXiv e-prints, arXiv: 2403.01946, 2024
2024
Feature Attribution with Necessity and Sufficiency via Dual-stage Perturbation Test for Causal Explanation
X Chen, R Cai, Z Huang, Y Zhu, J Horwood, Z Hao, Z Li, ...
arXiv preprint arXiv:2402.08845, 2024
2024
Faster relative entropy coding with greedy rejection coding
G Flamich, S Markou, JM Hernández-Lobato
Advances in Neural Information Processing Systems 36, 2024
62024
SE (3) equivariant augmented coupling flows
L Midgley, V Stimper, J Antorán, E Mathieu, B Schölkopf, ...
Advances in Neural Information Processing Systems 36, 2024
82024
Tanimoto random features for scalable molecular machine learning
A Tripp, S Bacallado, S Singh, JM Hernández-Lobato
Advances in Neural Information Processing Systems 36, 2024
42024
Compression with bayesian implicit neural representations
Z Guo, G Flamich, J He, Z Chen, JM Hernández-Lobato
Advances in Neural Information Processing Systems 36, 2024
172024
Position Paper: Bayesian Deep Learning in the Age of Large-Scale AI
R Zhang, AG Wilson, M Welling, YW Teh, D Rügamer, TGJ Rudner, ...
arXiv, 2024
2024
Diffusive Gibbs Sampling
W Chen, M Zhang, B Paige, JM Hernández-Lobato, D Barber
arXiv preprint arXiv:2402.03008, 2024
2024
Position paper: Bayesian deep learning in the age of large-scale ai
T Papamarkou, M Skoularidou, K Palla, L Aitchison, J Arbel, D Dunson, ...
arXiv preprint arXiv:2402.00809, 2024
72024
Introducing instance label correlation in multiple instance learning. Application to cancer detection on histopathological images
P Morales-Álvarez, A Schmidt, JM Hernández-Lobato, R Molina
Pattern Recognition 146, 110057, 2024
42024
Position: Bayesian Deep Learning is Needed in the Age of Large-Scale AI
T Papamarkou, M Skoularidou, K Palla, L Aitchison, J Arbel, D Dunson, ...
Forty-first International Conference on Machine Learning, 2024
32024
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Articles 1–20