Publications

26871 results for Science

Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- - Eduardo Almeida Soares
  - Vidushi Sharma
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Unveiling the Secrets of ¹H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- - Oliver Schilter
  - Marvin Alberts
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- - Akihiro Kishimoto
  - Hiroshi Kajino
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- - Flaviu Cipcigan
  - Jonathan Booth
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Machine learning derived sub-seasonal to seasonal extremes
- - Daniel Salles Civitarese
  - Bianca Zadrozny
- 2023
- NeurIPS 2023
Workshop paper
Feature Importance Random Search for Hyperparameter Optimization of Data-Consistent Model Inversion
- - Stephen Obonyo
  - Isaiah Onando Mulang’
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
On Representations of Mean-Field Variational Inference
- - Soumyadip Ghosh
  - Yingdong Lu
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Coarse-graining via reparametrization avoids force matching and back-mapping
- - Nima Dehmamy
  - Csaba Both
  - et al.
- 2023
- NeurIPS 2023
Workshop paper