MoMa: A Simple Modular Learning Framework for Material Property Prediction

Botian Wang, Yawen Ouyang, Yaohui Li, Mianzhi Pan, yuanhang tang, Haorui Cui, Yiqun Wang, Jianbing Zhang, Xiaonan Wang, Wei-Ying Ma, Hao Zhou

International Conference on Learning Representations 2026 (ICLR 2026) Conference

Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train paradigm often fails to address the inherent diversity and disparity of material tasks. To overcome these challenges, we introduce MoMa, a simple Modular framework for Materials that first trains specialized modules across a wide range of tasks and then adaptively composes synergistic modules tailored to each downstream scenario. Evaluation across 17 datasets demonstrates the superiority of MoMa, with a substantial 14% average improvement over the strongest baseline. Few-shot and module scaling experiments further highlight MoMa's potential for real-world applications. Pioneering a new paradigm of modular material learning, MoMa will be open-sourced to foster broader community collaboration.