TAI AAI #09 - AI x Science
Apr 15 @ 18:00 - 21:00 JST
This Tokyo AI (TAI) Advanced AI (AAI) group session is our second AI x Bio meetup.
Schedule
18:30 - 19:00 Doors open
19:00 - 19:10 Introduction
19:10 - 19:40 From Intuition to AI: How Models Learn Chemical Reactivity (Elisa Mendoza Zamarripa)
19:40 - 20:10 TBC (Indra Priyadarsini)
20:10 - 20:40 TBC
20:40 - 21:30 Networking
Speakers
Elisa Mendoza Zamarripa (https://www.linkedin.com/in/elisammz/)
Title: From Intuition to AI: How Models Learn Chemical Reactivity
Abstract: Chemistry often relies on the experience and intuition of chemists to understand molecular behavior—knowing which molecules are likely to react, and under what conditions. But what happens when we ask machines to do the same? In this presentation, we will explore how artificial intelligence (AI) models learn chemical reactivity and predict chemical reactions—what will react, where, and how successfully. We will focus on advanced machine learning techniques like Graph Neural Networks (GNNs) that “read” molecules as graphs, and Large Language Models (LLMs) that identify chemical patterns from vast amounts of textual data. While these methods promise to accelerate fields like drug discovery and materials development, they also bring up important questions: How do these models actually learn chemistry? Can they explain their predictions? And how much should we rely on them versus human expertise? This talk aims to open a discussion about how AI systems can not only predict chemistry but also help us understand it.
Bio: Elisa has a PhD in Biomedical Engineering from Tokyo Tech (now Institute of Science Tokyo), specializing in biomaterials and molecular interactions at biointerfaces. After graduating, she joined MI-6 Ltd. as a data scientist. She has worked on building tools for the prediction of material properties and screening applications. She also has international experience in biomedical engineering, having worked in Mexico and The Netherlands.
Indra Priyadarsini (https://research.ibm.com/people/indra-priyadarsini-s)
Title: TBC
Abstract: TBC
Bio: TBC
TBC
Title: TBC
Abstract: TBC
Bio: TBC
Our Community
Tokyo AI (TAI) is a community composed of people based in Tokyo and working with, studying, or investing in AI. We are engineers, product managers, entrepreneurs, academics, and investors intending to build a strong “AI coreˮ in Tokyo. Find more in our overview: https://bit.ly/tai_overview
Organizers
Kai Arulkumaran: Research Team Lead at Araya, working on brain-controlled robots as part of the JST Moonshot R&D program. Previously, he completed his PhD in Bioengineering at Imperial College London and had work experience at DeepMind, FAIR, Microsoft Research, Twitter Cortex, and NNAISENSE. His research areas are deep learning, reinforcement learning, evolutionary computation, and computational neuroscience.
Gergely (Greg) Juhasz: Associate Professor at the Institute of Science Tokyo (formerly Tokyo Tech). His expertise lies in computational chemistry, and he is a member of the TAC-MI program, which bridges Chemical and Materials Science with Data Science and Machine Learning. He earned his PhD in Materials Chemistry at Kyushu University and has research experience at Carnegie Mellon University, Kyushu University, and Tokyo Tech. His research focuses on quantum chemical and computational approaches to problems in nanocarbons, catalysis, and electrochemical systems.
Ilya Kulyatin: Fintech and AI entrepreneur with work and academic experience in the US, Netherlands, Singapore, UK, and Japan, with an MSc in Machine Learning from UCL.
Sponsor
TBD.
Location
Please register to see the exact location of this event.
Tokyo