Publications

522 results for Accelerated Discovery

Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- NeurIPS 2023
Coarse-graining via reparametrization avoids force matching and back-mapping
- - Nima Dehmamy
  - Csaba Both
  - et al.
- 2023
- NeurIPS 2023
Symbolic Learning for Material Discovery
- - Daniel Cunnington
  - Flaviu Cipcigan
  - et al.
- 2023
- NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- - Eduardo Almeida Soares
  - Flaviu Cipcigan
  - et al.
- 2023
- NeurIPS 2023
Feature Importance Random Search for Hyperparameter Optimization of Data-Consistent Model Inversion
- - Stephen Obonyo
  - Isaiah Onando Mulang’
  - et al.
- 2023
- NeurIPS 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- - Akihiro Kishimoto
  - Hiroshi Kajino
  - et al.
- 2023
- NeurIPS 2023
Quantum Theory and Application of Contextual Optimal Transport
- - Nicola Mariella
  - Jannis Born
  - et al.
- 2023
- NeurIPS 2023
Machine learning derived sub-seasonal to seasonal extremes
- - Daniel Salles Civitarese
  - Bianca Zadrozny
- 2023
- NeurIPS 2023
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- - Flaviu Cipcigan
  - Jonathan Booth
  - et al.
- 2023
- NeurIPS 2023
Understanding Mode Connectivity via Parameter Space Symmetry
- - Bo Zhao
  - Nima Dehmamy
  - et al.
- 2023
- NeurIPS 2023