Publications

1615 results for Machine Learning

Activity–weight duality in feed-forward neural networks reveals two co-determinants for generalization
- - Yu Feng
  - Wei Zhang
  - et al.
- 2023
- Nature Machine Intelligence
Paper
Harnessing the Power of Language Models to Accelerate Material Design
- - Matteo Manica
- 2023
- ACS Fall 2023
Invited talk
Automatic structure elucidation from IR spectra
- - Marvin Alberts
  - Teodoro Laino
  - et al.
- 2023
- ACS Fall 2023
Invited talk
Domain-specific languages as a tool for knowledge representation in polymer chemistry
- - Nathaniel Park
- 2023
- ACS Fall 2023
Invited talk
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- - Gianmarco Gabrieli
  - Matteo Manica
  - et al.
- 2023
- ACS Fall 2023
Talk
Topology-driven pre-training for robust molecular property prediction models
- - Aldo Guzmán-Sáenz
  - Sanjoy Dey
  - et al.
- 2023
- ACS Fall 2023
Talk
Lab automation, data modeling, and AI agents for accelerated catalyst discovery
- - Nathaniel Park
  - Matteo Manica
  - et al.
- 2023
- ACS Fall 2023
Talk
Creating labs that learn through automated data management
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- ACS Fall 2023
Talk
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
Machine Guided Discovery of Novel Carbon Capture Solvents
- - Theodore Van Kessel
  - Flaviu Cipcigan
  - et al.
- 2023
- ACS Fall 2023
Talk