Feature Importance Random Search for Hyperparameter Optimization of Data-Consistent Model Inversion
- Stephen Obonyo
- Isaiah Onando Mulang’
- et al.
- 2023
- NeurIPS 2023
Workshop paper
Publications
632 results for Accelerated Discovery
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
Workshop paperCapturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- Eduardo Almeida Soares
- Vidushi Sharma
- et al.
- 2023
- NeurIPS 2023
Workshop paperDiscovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
Workshop paperMachine learning derived sub-seasonal to seasonal extremes
- Daniel Salles Civitarese
- Bianca Zadrozny
- 2023
- NeurIPS 2023
Workshop paperSymbolic Learning for Material Discovery
- Daniel Cunnington
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
Workshop paperBeyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2023
- NeurIPS 2023
Workshop paperA Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- Eduardo Almeida Soares
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
Workshop paperUnderstanding Mode Connectivity via Parameter Space Symmetry
- Bo Zhao
- Nima Dehmamy
- et al.
- 2023
- NeurIPS 2023
Workshop paperRepresentation Learning for Person or Entity-centric Knowledge Graphs: an application in Healthcare
- Christos Theodoropoulos
- Natasha Mulligan
- et al.
- 2023
- K-CAP 2023
Conference paper