Representing Molecules as Random Walks Over Interpretable Grammars
- Michael Sun
- Minghao Guo
- et al.
- 2024
- ICML 2024
Publications
537 results for Accelerated Discovery
A new computationally efficient algorithm to solve Feature Selection for Functional Data Classification in high-dimensional spaces
- Tobia Boschi
- Francesca Bonin
- et al.
- 2024
- ICML 2024
Latent Space Symmetry Discovery
- Jianke Yang
- Nima Dehmamy
- et al.
- 2024
- ICML 2024
Masking in Molecular Graphs Leveraging Reaction Context
- Jiannan Yang
- Veronika Thost
- et al.
- 2024
- ICML 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
- Victor Shirasuna
- Eduardo Almeida Soares
- et al.
- 2024
- ICML 2024
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 2024
- ICML 2024
Catalysts Synthesis Procedures Extraction from Synthesis Paragraphs using Large Language Models
- Daniel Pereira Costa
- Matteo Manica
- et al.
- 2024
- ICCatalysts 2024
Bayesian Optimization with Setup Switching Cost
- Stefan Pricopie
- Richard Allmendinger
- et al.
- 2024
- GECCO 2024
Epidemiological topology data analysis links severe COVID-19 to RAAS and hyperlipidemia associated metabolic syndrome conditions
- Dan Platt
- Aritra Bose
- et al.
- 2024
- ISMB 2024
Identifying Putative Gene Markers: A Biomedical Foundation Model-based Approach for Cell Type Annotation
- Uri Kartoun
- Akira Koseki
- et al.
- 2024
- ISMB 2024