Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- Oliver Schilter
- Marvin Alberts
- et al.
- 2023
- NeurIPS 2023
Publications
608 results for Accelerated Discovery
Feature Importance Random Search for Hyperparameter Optimization of Data-Consistent Model Inversion
- Stephen Obonyo
- Isaiah Onando Mulang’
- et al.
- 2023
- NeurIPS 2023
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
Coarse-graining via reparametrization avoids force matching and back-mapping
- Nima Dehmamy
- Csaba Both
- et al.
- 2023
- NeurIPS 2023
Understanding Mode Connectivity via Parameter Space Symmetry
- Bo Zhao
- Nima Dehmamy
- et al.
- 2023
- NeurIPS 2023
Representation Learning for Person or Entity-centric Knowledge Graphs: an application in Healthcare
- Christos Theodoropoulos
- Natasha Mulligan
- et al.
- 2023
- K-CAP 2023
AutoPeptideML: An Automated Machine Learning Method for Building Peptide Bioactivity Predictors Leveraging Protein Language Models
- Raúl Fernández Díaz
- Rodrigo Cossio-pérez
- et al.
- 2023
- ICBG 2023
Pre-Treatment Methods for Machine Learning in Finer UV Spectrum Inference
- 2023
- MRS Fall Meeting 2023
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- Ronaldo Giro
- Hsiang Han Hsu
- et al.
- 2023
- MRS Fall Meeting 2023
Autoencoder based on Graph and Recurrent Neural Networks and Application to Property Prediction
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- MRS Fall Meeting 2023