Publications

591 results for Accelerated Discovery

KnowledgeHub: An end-to-end Tool for Assisted Scientific Discovery
- - Shinnosuke Tanaka
  - James Barry
  - et al.
- 2024
- IJCAI 2024
PatCID: an open-access dataset of chemical structures in patent documents
- - Lucas Morin
  - Valéry Weber
  - et al.
- 2024
- Nature Communications
Representing Molecules as Random Walks Over Interpretable Grammars
- - Michael Sun
  - Minghao Guo
  - et al.
- 2024
- ICML 2024
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
Quantum Theory and Application of Contextual Optimal Transport
- - Nicola Mariella
  - Albert Akhriev
  - et al.
- 2024
- ICML 2024
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- - Indra Priyadarsini S
  - Vidushi Sharma
  - 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
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