Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation

Neural Information Processing Systems (NeurIPS), 2025

28 February 2025

Raymundo Arroyave

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Papers citing "Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation"

9 / 9 papers shown

Title
Preference Learning from Physics-Based Feedback: Tuning Language Models to Design BCC/B2 Superalloys Satanu Ghosh Collin Holgate Neal R. Brodnik Doug Downey Samantha Daly Tresa M. Pollock Samuel Carton 24 0 0 15 Nov 2025
InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames Haorui Li Weitao Du Yuqiang Li Hongyu Guo Shengchao Liu 60 1 0 31 Oct 2025
L^2M^3OF: A Large Language Multimodal Model for Metal-Organic Frameworks Jiyu Cui Fang Wu Haokai Zhao Minggao Feng Xenophon Evangelopoulos Andrew I. Cooper Yejin Choi AI4CE 68 0 0 23 Oct 2025
Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics Lianhao Zhou Hongyi Ling Cong Fu Yepeng Huang Michael Sun ... X. Qian Heng Ji Wei Wang Marinka Zitnik Shuiwang Ji LLMAG LM&Ro AI4CE 112 2 0 10 Oct 2025
Exploring Human-AI Collaboration Using Mental Models of Early Adopters of Multi-Agent Generative AI Tools Suchismita Naik Austin L. Toombs Amanda Snellinger Scott Saponas Amanda K. Hall AI4CE 80 8 0 10 Sep 2025
Challenges in Non-Polymeric Crystal Structure Prediction: Why a Geometric, Permutation-Invariant Loss is Needed Emmanuel Jehanno Romain Menegaux Julien Mairal Sergei Grudinin 156 0 0 31 Aug 2025
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists Lianhao Zhou Hongyi Ling Keqiang Yan Kaiji Zhao X. Qian Raymundo Arroyave Xiaofeng Qian Shuiwang Ji LLMAG AI4CE 250 2 0 05 Jun 2025
Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey Zhixun Li Bin Cao Rui Jiao Shu Wu Ding Wang ... Sihan Yang Yu Rong Liang Wang Tong-yi Zhang Jeffrey Xu Yu 3DV AI4CE 284 7 0 22 May 2025
Space Group Equivariant Crystal Diffusion Rees Chang Angela Pak Alex Guerra Ni Zhan Nick Richardson Elif Ertekin Ryan P. Adams 285 4 0 16 May 2025