Követés
Ilyes Batatia
Ilyes Batatia
E-mail megerősítve itt: cam.ac.uk
Cím
Hivatkozott rá
Hivatkozott rá
Év
MACE: Higher order equivariant message passing neural networks for fast and accurate force fields
I Batatia, DP Kovács, GNC Simm, C Ortner, G Csányi
Advances in Neural Information Processing Systems (NeurIPS) 2022, 2022
1642022
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
I Batatia, S Batzner, DP Kovács, A Musaelian, GNC Simm, R Drautz, ...
arXiv preprint arXiv:2205.06643, 2022
702022
Evaluation of the MACE Force Field Architecture: from Medicinal Chemistry to Materials Science
DP Kovacs, I Batatia, ES Arany, G Csanyi
Journal of Chemical Physics, 2023
202023
Tensor-reduced atomic density representations
JP Darby, DP Kovács, I Batatia, MA Caro, GLW Hart, C Ortner, G Csányi
Physical Review Letters 131 (2), 028001, 2023
132023
Boost invariant polynomials for efficient jet tagging
JM Munoz, I Batatia, C Ortner
Machine Learning: Science and Technology 3 (4), 04LT05, 2022
5*2022
A Deep learning method with CRF for instance segmentation of Metal-Organic Frameworks in Scanning Electron Microscopy Images
I Batatia
EUSIPCO 2020, 2020
52020
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
42023
A General Framework for Equivariant Neural Networks on Reductive Lie Groups
I Batatia, M Geiger, J Munoz, T Smidt, L Silberman, C Ortner
Advances in Neural Information Processing Systems (NeurIPS) 2023, 2023
42023
Mace-off23: Transferable machine learning force fields for organic molecules
DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, ...
arXiv preprint arXiv:2312.15211, 2023
22023
Equivariant matrix function neural networks
I Batatia, LL Schaaf, H Chen, G Csányi, C Ortner, FA Faber
arXiv preprint arXiv:2310.10434, 2023
22023
Zero Shot Molecular Generation via Similarity Kernels
R Elijošius, F Zills, I Batatia, SW Norwood, DP Kovács, C Holm, G Csányi
arXiv preprint arXiv:2402.08708, 2024
2024
Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials
I Grega, I Batatia, G Csányi, S Karlapati, VS Deshpande
arXiv preprint arXiv:2401.16914, 2024
2024
Retrieval of Boost Invariant Symbolic Observables via Feature Importance
JM Munoz, I Batatia, C Ortner, F Romeo
arXiv preprint arXiv:2306.13496, 2023
2023
A Geometric Insight into Equivariant Message Passing Neural Networks on Riemannian Manifolds
I Batatia
Topology, Algebra, and Geometry in Machine Learning at International …, 2023
2023
Influence du milieu sur le photochromisme
J Piard, I Batatia, J SOWA
Bulletin de l'Union des physiciens 114 (1028), 1019-1033, 2020
2020
Enhancing the local expressivity of geometric graph neural networks
SW Norwood, LL Schaaf, I Batatia, G Csányi, A Bhowmik
A rendszer jelenleg nem tudja elvégezni a műveletet. Próbálkozzon újra később.
Cikkek 1–16