Information Flow in Graph Neural Networks: A Clinical Triage Use Case
- 2023
- ICDH 2023
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456 results for Accelerated Discovery
A variational condition for minimal-residual latent representations
- 2023
- ICLR 2023
Software Services Engineering Manifesto – A Cross-Cutting Declaration
- Carl K. Chang
- Paolo Ceravolo
- et al.
- 2021
- ICWS 2021
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
- Edward Pyzer-Knapp
- Linjiang Chen
- et al.
- 2021
- Science Advances
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- Science Advances
Mapping the space of chemical reactions using attention-based neural networks
- Philippe Schwaller
- Daniel Probst
- et al.
- 2021
- Nature Machine Intelligence
TDiMS : A Topological Distance based Intra-Molecular Substructure Descriptor for Improved Machine Learning Predictions
- 2025
- AAAI 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- AAAI 2025
LLM-Fusion: A Novel Multimodal Fusion Model for Accelerated Material Discovery
- Onur Boyar
- Indra Priyadarsini S
- et al.
- 2025
- AAAI 2025
INDUS: Effective and Efficient Language Models for Scientific Applications
- Bhatta Bhattacharjee
- Aashka Trivedi
- et al.
- 2024
- EMNLP 2024