Zobrazeno 1 - 10
of 45 748
pro vyhledávání: '"Template free"'
Autor:
Zeng, Kaipeng1 (AUTHOR), Yang, Bo2 (AUTHOR), Zhao, Xin1 (AUTHOR), Zhang, Yu1 (AUTHOR), Nie, Fan3 (AUTHOR), Yang, Xiaokang1 (AUTHOR), Jin, Yaohui1 (AUTHOR) jinyh@sjtu.edu.cn, Xu, Yanyan1 (AUTHOR) yanyanxu@sjtu.edu.cn
Publikováno v:
Journal of Cheminformatics. 7/15/2024, Vol. 16 Issue 1, p1-16. 16p.
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-16 (2024)
Abstract Motivation Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in intere
Externí odkaz:
https://doaj.org/article/647e6df9c91d4661938f11c3f3cf34b4
Autor:
Chen, Shuan, Jung, Yousung
Despite the acknowledged capability of template-free models in exploring unseen reaction spaces compared to template-based models for retrosynthesis prediction, their ability to venture beyond established boundaries remains relatively uncharted. In t
Externí odkaz:
http://arxiv.org/abs/2403.03960
The differences between cloze-task language model (LM) probing with 1) expert-made templates and 2) naturally-occurring text have often been overlooked. Here, we evaluate 16 different LMs on 10 probing English datasets -- 4 template-based and 6 templ
Externí odkaz:
http://arxiv.org/abs/2402.00123
Autor:
Weng, Zhenzhen, Liu, Jingyuan, Tan, Hao, Xu, Zhan, Zhou, Yang, Yeung-Levy, Serena, Yang, Jimei
Reconstructing 3D humans from a single image has been extensively investigated. However, existing approaches often fall short on capturing fine geometry and appearance details, hallucinating occluded parts with plausible details, and achieving genera
Externí odkaz:
http://arxiv.org/abs/2401.12175
Akademický článek
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Automatic verification of concurrent programs faces state explosion due to the exponential possible interleavings of its sequential components coupled with large or infinite state spaces. An alternative is deductive verification, where given a candid
Externí odkaz:
http://arxiv.org/abs/2312.17527
Shortcut reasoning is an irrational process of inference, which degrades the robustness of an NLP model. While a number of previous work has tackled the identification of shortcut reasoning, there are still two major limitations: (i) a method for qua
Externí odkaz:
http://arxiv.org/abs/2312.09718
Reconstructing human-object interaction in 3D from a single RGB image is a challenging task and existing data driven methods do not generalize beyond the objects present in the carefully curated 3D interaction datasets. Capturing large-scale real dat
Externí odkaz:
http://arxiv.org/abs/2312.07063
Publikováno v:
JACS Au 4 (2024) 992-1003
Single-step retrosynthesis (SSR) in organic chemistry is increasingly benefiting from deep learning (DL) techniques in computer-aided synthesis design. While template-free DL models are flexible and promising for retrosynthesis prediction, they often
Externí odkaz:
http://arxiv.org/abs/2309.15798