arXiv:2509.05909v3 Announce Type: replace-cross
Abstract: The reliable identification of magnetic ground states remains a major challenge in high-throughput materials databases, where density functio...
By Ahmed E. Fahmy
arXiv:2601. 03673v2 Announce Type: replace-cross Abstract: Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data.
By Ibai Ramirez, Jokin Alcibar, Joel Pino, Mikel Sanz, Jose I. Aizpurua
arXiv:2607. 28248v1 Announce Type: cross Abstract: The deployment of deep neural networks in safety-critical domains demands reliable estimates of predictive confidence, yet conventional architectures lack principled uncertainty quantification.
By H. Martin Gillis, Thomas Trappenberg
arXiv:2606. 29717v1 Announce Type: cross Abstract: Predicting a material's properties from its structure is a central, fast-advancing problem in computational materials science.
By Chenmu Zhang, Boris I. Yakobson
arXiv:2608. 11054v1 Announce Type: new Abstract: Deep learning models have emerged as the standard computational tool for a wide range of applications in genomics.
By Sepideh Saran, Mahsa Ghanbari, Uwe Ohler
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