DISTAL: Distillation and Self-Supervised Pretraining for Structure-Agnostic Materials Property Prediction
Read the original on arXiv AI →The Flow has not summarised this story yet — read it at arXiv AI.
The Flow has not summarised this story yet — read it at arXiv AI.
arXiv:2609.17646v1 Announce Type: cross Abstract: This thesis develops robust and efficient AI frameworks for accelerating crystalline materials discovery by addressing both major stages of the mater...
arXiv:2606. 00776v1 Announce Type: new Abstract: Fast and accurate prediction of crystal properties is a central challenge in new materials design.
arXiv:2608. 13826v1 Announce Type: cross Abstract: Machine learning is increasingly used to learn structure property relationships from spectroscopic and diffraction data, yet its adoption in materials discovery is often limited by poor interpretability of model predictions.
arXiv:2608. 06448v1 Announce Type: cross Abstract: Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem.
arXiv:2606. 07712v1 Announce Type: cross Abstract: Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems.
arXiv:2607. 08470v1 Announce Type: new Abstract: Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural language -- each of which captures a different facet of the same physical object.