| Outrageously large neural networks: The sparsely-gated mixture-of-experts layer N Shazeer, A Mirhoseini, K Maziarz, A Davis, Q Le, G Hinton, J Dean International Conference on Learning Representations (ICLR 2017), 2017 | 2742 | 2017 |
| Learning to Extend Molecular Scaffolds with Structural Motifs K Maziarz, H Jackson-Flux, P Cameron, F Sirockin, N Schneider, N Stiefl, ... International Conference on Learning Representations (ICLR 2022), 2022 | 97 | 2022 |
| FS-Mol: A Few-Shot Learning Dataset of Molecules M Stanley, JF Bronskill, K Maziarz, H Misztela, J Lanini, M Segler, ... Neural Information Processing Systems: Datasets and Benchmarks (NeurIPS 2021), 2021 | 92 | 2021 |
| The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4 MR AI4Science, MA Quantum arXiv preprint arXiv:2311.07361, 2023 | 43 | 2023 |
| Evolutionary-Neural Hybrid Agents for Architecture Search K Maziarz, M Tan, A Khorlin, M Georgiev, A Gesmundo Workshop on AutoML (ICML-W 2019), 2019 | 39 | 2019 |
| Re-evaluating Retrosynthesis Algorithms with Syntheseus K Maziarz, A Tripp, G Liu, M Stanley, S Xie, P Gaiński, P Seidl, M Segler Faraday Discussions 256, 568-586, 2025 | 25 | 2025 |
| Flexible Multi-task Networks by Learning Parameter Allocation K Maziarz, E Kokiopoulou, A Gesmundo, L Sbaiz, G Bartok, J Berent Workshop on Neural Architecture Search (ICLR-W 2021), 2021 | 22* | 2021 |
| Retrosynthetic Planning with Dual Value Networks G Liu, D Xue, S Xie, Y Xia, A Tripp, K Maziarz, M Segler, T Qin, Z Zhang, ... International Conference on Machine Learning (ICML 2023), 2023 | 19 | 2023 |
| Re-evaluating Chemical Synthesis Planning Algorithms A Tripp, K Maziarz, S Lewis, G Liu, M Segler AI for Science: Progress and Promises (NeurIPS-W 2022), 2022 | 14 | 2022 |
| Deep Learning for Rheumatoid Arthritis: Joint Detection and Damage Scoring in X-rays K Maziarz, A Krason, Z Wojna Workshop on AI for Public Health (ICLR-W 2021), 2021 | 14 | 2021 |
| Hashing Modulo Alpha-Equivalence K Maziarz, T Ellis, A Lawrence, A Fitzgibbon, SP Jones Programming Language Design and Implementation (PLDI 2021), 2021 | 14 | 2021 |
| Retro-fallback: Retrosynthetic Planning in an Uncertain World A Tripp, K Maziarz, S Lewis, M Segler, JM Hernández-Lobato International Conference on Learning Representations (ICLR 2024), 2024 | 9 | 2024 |
| PREFER: a new predictive modeling framework for molecular discovery J Lanini, G Santarossa, F Sirockin, R Lewis, N Fechner, H Misztela, ... Journal of Chemical Information and Modeling 63 (15), 4497-4504, 2023 | 9 | 2023 |
| Holistic Multi-View Building Analysis in the Wild with Projection Pooling Z Wojna, K Maziarz, Ł Jocz, R Pałuba, R Kozikowski, I Kokkinos AAAI Conference on Artificial Intelligence (AAAI 2021), 2021 | 5 | 2021 |
| RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets P Gaiński, M Koziarski, K Maziarz, M Segler, J Tabor, M Śmieja Workshop on Generative and Experimental Perspectives for Biomolecular Design …, 2024 | 4 | 2024 |
| Realism Index: Interpolation in Generative Models with Arbitrary Prior Ł Struski, J Tabor, I Podolak, A Nowak, K Maziarz arXiv preprint, 2019 | 4* | 2019 |
| The Slow-coloring Game on Outerplanar, Planar, and k-degenerate Graphs G Gutowski, T Krawczyk, K Maziarz, DB West, M Zajac, X Zhu Journal of Combinatorics, 2017 | 3* | 2017 |
| Are VAEs Bad at Reconstructing Molecular Graphs? H Muenkler, H Misztela, M Pikusa, M Segler, N Schneider, K Maziarz ML4Molecules Workshop (ELLIS side-event to NeurIPS 2022), 2022 | 2 | 2022 |
| Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases K Maziarz, G Liu, H Misztela, A Kornev, P Gaiński, H Hoefling, ... arXiv preprint arXiv:2412.05269, 2024 | 1 | 2024 |
| NatureLM: Deciphering the Language of Nature for Scientific Discovery Y Xia, P Jin, S Xie, L He, C Cao, R Luo, G Liu, Y Wang, Z Liu, YJ Chen, ... arXiv preprint arXiv:2502.07527, 2025 | | 2025 |
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