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Ni Zhan

3 accepted papers

2025

AlgoTune: Can Language Models Speed Up General-Purpose Numerical Programs?

NeurIPS 2025poster

Despite progress in language model (LM) capabilities, evaluations have thus far focused on models' performance on tasks that humans have previously solved, including in programming (SWE-Bench) and mathematics (FrontierMath). We therefore propose testing models' ability to design and implement algor…

Cited by 0SourceScholar
2025

Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation

ICML 2025poster

Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invariance under a simultaneous movement of multiple objects, arise naturally in many-body quantum problems. Despite their impo…

Cited by 0SourcePDFScholar
2025

Space Group Equivariant Crystal Diffusion

NeurIPS 2025poster

Accelerating inverse design of crystalline materials with generative models has significant implications for a range of technologies. Unlike other atomic systems, 3D crystals are invariant to discrete groups of isometries called the space groups. Crucially, these space group symmetries are known to…

Cited by 0SourcecodeScholar