"Machine learning in chemistry and beyond" (ChE-651) seminar by Dr. Tong Xie: "From Token to Discovery: A New Paradigm in Material Discovery"
Event details
| Date | 18.02.2025 |
| Hour | 15:15 › 16:15 |
| Speaker | Tong Xie gained his PhD from the School of Photovoltaic and Renewable Energy Engineering (SPREE), UNSW Sydney, acclaimed as one of Australia’s National Computational Infrastructure’s Top 10 HPC AI-Talents. As the CEO of GreenDynamics and the Group Lead of UNSW AI4Science, he is pioneering the use of Generative AI to accelerate the discovery and development of sustainable materials. His expertise extends to Natural Language Processing and Material Science. He also founded the DARWIN natural science language model, demonstrating his innovative approach to advancing AI in material sciences. |
| Location | Online |
| Category | Conferences - Seminars |
| Event Language | English |
Recent advances in artificial intelligence, particularly large language models (LLMs), have opened new frontiers in chemical research. While these models traditionally excel at text processing, our research demonstrates their capability to solve practical chemistry problems through an innovative approach that combines open-source language models with extensive chemical datasets. By training our models on over 188,000 chemistry-focused examples across 24 subdisciplines and developing the Scientific Question Answering Generation (SciQAG) model for automated data preparation, we've achieved significant breakthroughs in efficiency and accuracy. Our research reveals that simultaneous training across multiple chemical tasks leads to superior performance compared to single-task approaches, suggesting the models can recognize fundamental connections between different areas of chemistry. Through rigorous testing across 49 chemistry-related tasks, our open-source approach not only matches or exceeds traditional machine learning methods but also ensures these advanced tools remain accessible to the entire scientific community, potentially accelerating the pace of chemical discovery.
Practical information
- General public
- Free
Organizer
- Andres M Bran, Rebecca Neeser, Yannick Calvino, Philippe Schwaller
Contact
- Andres M Bran, Rebecca Neeser, Yannick Calvino, Philippe Schwaller