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cs.LG2022
Accelerating Inverse Learning via Intelligent Localization with Exploratory Sampling
Jiaxin Zhang, Sirui Bi, Victor Fung
In the scope of "AI for Science", solving inverse problems is a longstanding challenge in materials and drug discovery, where the goal is to determine the hidden structures given a…
cond-mat.mtrl-sci2022★ 2 cited
Atomic structure generation from reconstructing structural fingerprints
Victor Fung, Shuyi Jia, Jiaxin Zhang +3
Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help…