arXiv:2512. 16607v2 Announce Type: replace-cross Abstract: Sampling configurations in thermodynamic equilibrium is a long-standing challenge in statistical physics.
By Louis Grenioux, Leonardo Galliano, Ludovic Berthier, Giulio Biroli, Marylou Gabri\'e
arXiv:2604. 13354v2 Announce Type: replace-cross Abstract: The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science.
By Auguste de Lambilly, Vladimir Baturin, David Portehault, Guillaume Lambard, Nataliya Sokolovska, Florence d'Alch\'e-Buc, Jean-Claude Crivello
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.
By Zhan'ao Yao, Boxuan Zhang, Jingyuan Shu, Xiaoyu Wu, Rongyan Wang, Linjing Li, Dajun Zeng, Yudong Yao, Tingwei Chen, Youwei Wang, Xiaolin Zhao, Jiahui Shi, Jianjun Liu
arXiv:2606. 22984v2 Announce Type: replace-cross Abstract: Efficient sampling of the Boltzmann distribution in frustrated spin glasses is central to statistical mechanics and combinatorial optimization.
By Lu Zhong, Wenli Duan, Jing Liu, Pan Zhang, Ying Tang
arXiv:2608. 01833v1 Announce Type: cross Abstract: Grokking is a striking phenomenon in neural network training, where a model can undergo a prolonged period of pure memorization before abrupt generalization.
By Lai Shun Chan, Xiaotian Zhang, Yue Shang, Ge Zhang, Entao Yang
arXiv:2602. 00424v2 Announce Type: replace Abstract: Continuous-time generative models for crystalline materials enable inverse materials design by learning to predict stable crystal structures, but incorporating explicit target properties into the generative process remains challenging.
By Philipp Hoellmer, Stefano Martiniani