News
Elevating universal interatomic potentials with large-scale off-equilibrium data - Nature Computational Science
12+ hour, 50+ min ago (166+ words) Nature Computational Science (2026) Cite this article Yuan, E. C. -Y. et al. Nat. Rev. Chem. 10, 212230 (2026). Chen, C. & Ong, S. P. Nat. Comput. Sci. 2, 718728 (2022). Deng, B. et al. Nat. Mach. Intell. 5, 10311041 (2023). Merchant, A. et al. Nature 624, 8085 (2023). Batatia, I. et al. J. Chem. Phys. 163, 184110 (2025). Riebesell, J. et al. Nat. Mach. Intell. 7, 836847 (2025). Schmidt, J. et…...
Attention-enhanced variational learning for physically informed discovery of exceptionally hard multicomponent bulk metallic glasses - Nature Communications
3+ week, 12+ hour ago (1702+ words) The five candidate compositions (designated A1 A5, Table1) were experimentally investigated to test whether the predicted high hardness and load dependence translated to bulk MMGs under practical processing and measurement conditions. Figure3 summarizes the synthesis and the structural, thermal, and mechanical characterization of the…...
Machine learning for quantitative LIBS analysis of aluminum alloys: a comparison of random forest, gradient boosting, and extremely randomized trees - Scientific Reports
3+ week, 12+ hour ago (904+ words) The CRM surfaces were prepared for LIBS testing by sequential sanding from #220 to #1200 grit sandpaper, followed by cleaning with ethanol and drying. The emitted light is collected by an optical fiber and directed to a spectrometer (Ocean Optics USB4000), which disperses…...
Re-thinking human'machine interaction and the governance of AI in the military domain - Nature Machine Intelligence
3+ week, 1+ day ago (1286+ words) This research is part of the Hu Mach project, which has received funding from the Independent Research Fund Denmark (Danmarks Frie Forskningsfond). Center for War Studies, University of Southern Denmark, Odense, Denmark School of Foreign Service, Georgetown University, Washington DC,…...
Force-free molecular dynamics through autoregressive equivariant networks - Nature Machine Intelligence
4+ week, 2+ hour ago (1679+ words) Overall, the agreement in kinetics, energetics and dynamics provides strong evidence that Traj Cast reliably predicts the trajectories of isolated molecules, implicitly encoding the potential energy surface by learning the conditional probability of local atomic motions. These benchmarks suggest that…...
F-Transformer: a federated transformer for efficient and privacy-preserving sequence generation - Scientific Reports
4+ week, 1+ day ago (1667+ words) The following are the research contributions of this article. We propose a unique incremental FL strategy where local clients continuously train on newly arriving data while the global model progressively aggregates knowledge across distributed nodes. This approach differs from conventional…...
Multi-agent artificial intelligence designs novel catalysts for ultrafast water purification - Nature Water
1+ mon, 2+ day ago (1559+ words) Nature Water (2026)Cite this article Source data are provided with this paper. All data presented in the Supplementary Information are included in Supplementary Data 1. Hope, R. Four billion people lack safe water. Science 385, 708709 (2024). Tokranov, A. K. et al. Predictions of groundwater PFAS occurrence…...
Fluid thinking about collective intelligence - Nature Machine Intelligence
1+ mon, 1+ week ago (1700+ words) This work was supported by a Space Technology Research Institutes grant (number 80 NSSC19 K1076) from NASA's Space Technology Research Grants Program. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA Correspondence to Justin Werfel. Nature Machine Intelligence thanks…...
Data-efficient machine-learning of complex Fe'Mo intermetallics using domain knowledge of chemistry and crystallography - npj Computational Materials
1+ mon, 1+ week ago (1706+ words) a FK polyhedrons with CN 1216, b simple TCP phases with up to 5 WS in unit cells up to 30 atoms and c complex TCP phases with up to 14 WS in unit cells of up to 56 atoms. The colors indicate the WS…...
Machine-learning-based reconstruction of Ming-dynasty defensive corridors in Yuxian - npj Heritage Science
1+ mon, 3+ week ago (1232+ words) a Location of Datong Fu within Ming China(1370). b Location of Yuzhou within Datong Fu and its neighboring prefecture. c Administrative boundary of Yuzhou and the spatial distribution of military settlements shown over topographic relief. Boundary data are sourced from…...