Quantum Theory and Application of Contextual Optimal Transport
- Nicola Mariella
- Albert Akhriev
- et al.
- 2024
- ICML 2024
Publications
608 results for Accelerated Discovery
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 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
Masking in Molecular Graphs Leveraging Reaction Context
- Jiannan Yang
- Veronika Thost
- et al.
- 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
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ISMB 2024
Effective In-Silico Gene Perturbation by Machine Learning Model Interpretation for Immunotherapies
- Tanwi Biswas
- Akira Koseki
- et al.
- 2024
- ISMB 2024