Novel LLM-powered assistant facilitating data visualization in research and education
- Tim Erdmann
- Holt Bui
- et al.
- 2025
- ACS Spring 2025
Publications
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- Machine Learning
1423 results for Machine Learning
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Constructing an open database of barrier heights for diverse elementary organic reactions
- 2025
- ACS Spring 2025
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- ACS Spring 2025
Foundation models for materials discovery – current state and future directions
- Edward Pyzer-knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
LionHeart: A Layer-based Mapping Framework for Heterogeneous Systems with Analog In-Memory Computing Tiles
- Corey Liam Lammie
- Yuxuan Wang
- et al.
- 2025
- IEEE TETC
Preparing Good Data for Generative AI: Challenges and Approaches (Good-Data)
- David Vazquez
- Laure Berti-equille
- et al.
- 2025
- AAAI 2025
Defects induce phase transition from dynamic to static rippling in graphene
- Fabian Thiemann
- Camille Scalliet
- et al.
- 2025
- PNAS
On the Expressiveness and Length Generalization of Selective State-Space Models on Regular Languages
- 2025
- AAAI 2025
Higher Order Graph Attention Probabilistic Walk Networks
- Thomas Bailie
- Yun Singh Koh
- et al.
- 2025
- AAAI 2025