Publications

622 results for Accelerated Discovery

Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations
- - Nima Dehmamy
  - Csaba Both
  - et al.
- 2024
- NeurIPS 2024
Conference paper
Regress, Don’t Guess – A Regression-like Loss on Number Tokens for Language Models
- - Jonas Zausinger
  - Lars Pennig
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- - Viviane T. Silva
  - Alexandre Rademaker
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Unified Lookup Tables: Privacy-Preserving Foundation Models
- - Nikita Janakarajan
  - Irina Espejo Morales
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Enhancing Molecular Expressiveness through Multi-View Representations
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
A Mamba-Based Foundation Model for Chemistry
- - Emilio Ashton Vital Brazil
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Learning to Optimize Molecules with a Chemical Language Model
- - Jerret Ross
  - Samuel Hoffman
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- - Lucy Vost
  - Vijil Vijil
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Towards Using Large Language Models and Deep Reinforcement Learning for Inertial Fusion Energy
- - Vadim Elisseev
  - Max Esposito
  - et al.
- 2024
- NeurIPS 2024
Workshop paper