Publications

26328 results for Science

Quantum Theory and Application of Contextual Optimal Transport
- - Nicola Mariella
  - Jannis Born
  - et al.
- 2023
- NeurIPS 2023
Language models in molecular discovery
- - Nikita Janakarajan
  - Tim Erdmann
  - et al.
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- - Eduardo Almeida Soares
  - Vidushi Sharma
  - et al.
- 2023
- NeurIPS 2023
On Representations of Mean-Field Variational Inference
- - Soumyadip Ghosh
  - Yingdong Lu
  - 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
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- - Akihiro Kishimoto
  - Hiroshi Kajino
  - et al.
- 2023
- NeurIPS 2023
Symbolic Learning for Material Discovery
- - Daniel Cunnington
  - Flaviu Cipcigan
  - et al.
- 2023
- NeurIPS 2023
Duality and Sample Complexity for the Gromov-Wasserstein Distance
- - Zhengxin Zhang
  - Ziv Goldfeld
  - et al.
- 2023
- NeurIPS 2023
Machine learning derived sub-seasonal to seasonal extremes
- - Daniel Salles Civitarese
  - Bianca Zadrozny
- 2023
- NeurIPS 2023
Unveiling the Secrets of ¹H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- - Oliver Schilter
  - Marvin Alberts
  - et al.
- 2023
- NeurIPS 2023