Unified Cross-Scale 3D Generation and Understanding via Autoregressive Modeling
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arXiv
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| Main Authors: | Lu, Shuqi, Lin, Haowei, Yao, Lin, Gao, Zhifeng, Ji, Xiaohong, Liang, Yitao, E, Weinan, Zhang, Linfeng, Ke, Guolin |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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