3 papers
cs.CE2026
PhaseMatcher: Autoregressive Phase-Set Identification with Spectral Decomposition
Zhonglong Peng, Qiuliang Liu, Chang Chen +5
Recovering complete phase sets from powder X-ray diffraction (PXRD) is challenging when weak-phase peaks overlap stronger signals. A natural strategy is to identify phases iterativ…
cs.CE2026
AnchorPose for Geometry-Aware MOF Assembly through Meso-Grained Pose Generation
Zhonglong Peng, Rui Jiao, Chang Chen +3
Predicting metal-organic framework (MOF) structures from given building blocks requires recovering their positions and orientations in a periodic crystal. The spatial effects of ro…
cs.LG2026
Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery
Mingze Li, Yu Rong, Songyou Li +16
Artificial intelligence has accelerated materials discovery through high-throughput prediction and generation, yet the decision problem remains a formidable bottleneck. While curre…