| GAUCHE: a library for Gaussian processes in chemistry RR Griffiths, L Klarner, H Moss, A Ravuri, S Truong, Y Du, S Stanton, ... Advances in Neural Information Processing Systems 36, 2024 | 49* | 2024 |
| Diffusion Models for Constrained Domains N Fishman, L Klarner, V De Bortoli, E Mathieu, M Hutchinson Transactions on Machine Learning Research, 2023 | 33 | 2023 |
| Metropolis sampling for constrained diffusion models N Fishman, L Klarner, E Mathieu, M Hutchinson, V De Bortoli Advances in Neural Information Processing Systems 36, 2024 | 13 | 2024 |
| Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions L Klarner, TGJ Rudner, M Reutlinger, T Schindler, GM Morris, C Deane, ... International Conference on Machine Learning (ICML) 2023, 2023 | 10 | 2023 |
| Bias in the Benchmark: Systematic experimental errors in bioactivity databases confound multi-task and meta-learning algorithms L Klarner, M Reutlinger, T Schindler, C Deane, G Morris ICML 2022 2nd AI for Science Workshop, 2022 | 7 | 2022 |
| Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design L Klarner, TGJ Rudner, GM Morris, CM Deane, YW Teh International Conference on Machine Learning (ICML) 2024, 2024 | 1 | 2024 |
