A Self-Supervised Framework for Robust Multi-Modal Molecular Representation Learning
- 2025
- NeurIPS 2025
Workshop paper
Publications
632 results for Accelerated Discovery
Generating Stable Materials with Large Language Model Reasoning and Reinforcement Learning
- Zhang-Wei Hong
- Nofit Segal
- et al.
- 2025
- NeurIPS 2025
Workshop paperGeospatial Chain of Thought Reasoning for Enhanced Visual Question Answering on Satellite Imagery
- Shambhavi Shanker
- Manikandan Padmanaban
- et al.
- 2025
- NeurIPS 2025
Workshop paperPareto-Guided Reinforcement Learning for Multi-Objective ADMET Optimization in Generative Drug Design
- Hoang-my Nguyen
- Nguyet Hang Vu
- et al.
- 2025
- NeurIPS 2025
Workshop paperA Synthetic Data Generation Framework with Chain-of-Thought Reasoning
- 2025
- MRS Fall Meeting 2025
Conference paperLeveraging Large Language Models for Suitability Assessment of Electrolytes for Rechargeable Batteries
- 2025
- MRS Fall Meeting 2025
Conference paperAI for Advanced Materials in Integration and Packaging
- Jed Pitera
- Eric A. Joseph
- et al.
- 2025
- MRS Fall Meeting 2025
Invited talkInterpretable Molecular Modeling via LLM Agents with Chain-of-Thought Reasoning
- 2025
- MRS Fall Meeting 2025
TalkHow to build machine learning models able to extrapolate from standard to modified peptides
- Raúl Fernández Díaz
- Rodrigo Ochoa
- et al.
- 2025
- Journal of Cheminformatics
PaperEarly Classification method with Time-series Foundation Models
- Shingo Higashiguchi
- Takayuki Katsuki
- et al.
- 2025
- IBISML 2025
Poster