MaNGO — Adaptable Graph Network Simulators via Meta-Learning

Philipp Dahlinger, Tai Hoang, Denis Blessing, Niklas Freymuth, Gerhard Neumann

Keywords: Graph Network Simulators, Meta Learning, Graph Neural Operators, Conditional Neural Processes

TL;DR: We propose a meta-learning approach to enable Graph Network Simulators (GNSs) for fast adaptation to new physical parameters, leveraging conditional neural processes (CNPs) and neural operators to learn shared latent structures.

Abstract:

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require knowledge of physical parameters, such as material properties. In contrast, data-driven approaches like Graph Network Simulators (GNSs) offer faster inference but suffer from two key limitations: Firstly, they must be retrained from scratch for even minor variations in physical parameters, and secondly they require labor-intensive data collection for each new parameter setting. This is inefficient, as simulations with varying parameters often share a common underlying latent structure.
In this work, we address these challenges by learning this shared structure through meta-learning, enabling fast adaptation to new physical parameters without retraining.
To this end, we propose a novel architecture that generates a latent representation by encoding graph trajectories using conditional neural processes (CNPs). To mitigate error accumulation over time, we combine CNPs with a novel neural operator architecture.
We validate our approach, Meta Neural Graph Operator (MaNGO), on several dynamics prediction tasks with varying material properties, demonstrating superior performance over existing GNS methods. Notably, MaNGO achieves accuracy on unseen material properties close to that of an oracle model.

Primary Area: Machine learning for sciences (e.g. climate, health, life sciences, physics, social sciences)

Submission Number: 17212