Given low-level theory and computationally-expensive simulation code, how can we model complex systems on a useful time scale?
The next big AI for science event in Singapore is the AI4X 2025 conference. Unlike the laser-focused workshop, it will cover all areas of AI for science (and finance). Discuss the future of the area with leading researchers from top universities and companies! Early bird registration until 30 April 2025.
| Time | Event |
|---|---|
| 08:15–08:45 | Poster Setup |
| 08:45–09:00 | Opening Remarks |
| 09:00–09:30 | Keynote: Kostya Novoselov |
| 09:30–10:00 | Keynote: Sergei Gukov |
| 10:00–10:30 | Coffee Break |
| 10:30–10:45 | On Incorporating Scale into Graph Networks |
| 10:45–11:15 | Keynote: Qianxiao Li |
| 11:15–11:45 | Keynote: Charlotte Bunne |
| 11:45–12:15 | Q&A and Panel Discussion |
| 12:15–13:15 | Lunch |
| Time | Event |
|---|---|
| 13:15–13:30 | DoMiNO: Down‑scaling Molecular Dynamics with Neural Graph Ordinary Differential Equations |
| 13:30–14:00 | Poster Session: Spotlight Talks |
| 14:00–15:00 | Poster Session: Poster Session |
| 15:00–15:30 | Coffee Break |
| 15:30–15:45 | LOGLO‑FNO: Efficient Learning of Local and Global Features in Fourier Neural Operators |
| 15:45–16:00 | 5D Neural Surrogates for Nonlinear Gyrokinetic Simulations of Plasma Turbulence |
| 16:00–16:30 | Keynote: Daniel Polani |
| 16:30–16:50 | Panel Discussion |
| 16:50–17:40 | Workgroups discussions |
| 17:40–17:50 | Collaboration pitches |
| 17:50–18:00 | Closing Remarks |
Fundamental laws of Nature, Standard Model of Physics, and the most applied part of it, quantum mechanics, are well established. Theoretically, the dynamics of anything starting from a hydrogen atom and all the way to Earth's climate follow those equations. The problem is complexity [Dirac 1929]. An exact computation of a modest system containing 100 atoms is still beyond the capability of modern computers.
Some of the greatest scientific achievements resulted from breakthroughs in scale transitions: renormalization, density functional theory, Higgs boson, multiscale models for complex chemical systems, climate modeling, protein folding. Those achievements are highly regarded because they are impactful – but also unique and can't be readily applied to different systems.
Encouraged by the recent successes, this workshop aims to enable the development of universal AI methods that would be able to find efficient and accurate approximations, and use them for some of the most pressing and high-impact scientific problems that have computational complexity as the limiting factor to an in silico solution, such as:
If we solve scale transition, we solve science.
