Publication Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique. Kousuke Nakano, Stefano Battaglia, Jürg Hutter The Journal of chemical physics | November 2025, Vol 164 12
Publication Understanding and Improving the Shampoo Optimizer via Kullback-Leibler Minimization Wu Lin, Scott C. Lowe, Felix Dangel, Runa Eschenhagen, Zikun Xu, Roger B. Grosse September 2025 arXiv | September 2025
Publication Improved Constructions and Lower Bounds for Maximally Recoverable Grid Codes Joshua Brakensiek, Manik Dhar, Sivakanth Gopi September 2025
Publication OptiMind: Teaching LLMs to Think Like Optimization Experts Zeyi Chen, Xinzhi Zhang, Humishka Zope, Hugo Barbalho, Konstantina Mellou, Marco Molinaro, Janardhan (Jana) Kulkarni, Ishai Menache, Sirui Li September 2025 September 2025 Vidéo Accès Projet
Publication Many-body perturbation theory vs. density functional theory: a systematic benchmark for band gaps of solids Max Großmann, Marc Thieme, M. Grunert, Erich Runge npj Computational Materials | August 2025, Vol 12
Publication Extensive Band Gap Tunability in Covalent Organic Frameworks via Metal Intercalation and High Pressure Michelle Ernst, J. Hutter, Stefano Battaglia The Journal of Physical Chemistry Letters | July 2025, Vol 16: pp. 7398-7405
Publication Node Similarities under Random Projections: Limits and Pathological Cases Tvrtko Tadić, Cassiano Becker, Jennifer Neville International Conference on Learning Representations (ICLR) | April 2025
Publication On the origin of bulk-related anisotropies in surface optical spectra Max Großmann, K. Hanke, Chris Yannic Bohlemann, A. Paszuk, T. Hannappel, W. Schmidt, Erich Runge Communications Materials | March 2025
Publication Koala: Efficient Pipeline Training through Automated Schedule Searching on Domain-Specific Language Yu Tang, Lujia Yin, Qiao Li, Hongyu Zhu, Hengjie Li, Xingcheng Zhang, Linbo Qiao, Dongsheng Li, Jiaxin Li ACM Transactions on Architecture and Code Optimization | March 2025, Vol 22: pp. 1-25
Publication FlashFFTStencil: Bridging Fast Fourier Transforms to Memory-Efficient Stencil Computations on Tensor Core Units Haozhi Han, Kun Li, Wei Cui, Donglin Bai, Yiwei Zhang, Liang Yuan, Yifeng Chen, Yunquan Zhang, Ting Cao, Mao Yang ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP) | March 2025