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20202023
most citedStructure-based Drug Design with Equivariant Diffusion Models

101 citations · 409 across the 32 of their papers we have counts for

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Showing 2021Show all

5 papers · 1 filter

cs.LG2021★ 3 cited

Graph-based Ensemble Machine Learning for Student Performance Prediction

Yinkai Wang, Aowei Ding, Kaiyi Guan +2

Student performance prediction is a critical research problem to understand the students' needs, present proper learning opportunities/resources, and develop the teaching quality.…

cs.CE2021★ 22 cited

SE(3) Equivariant Graph Neural Networks with Complete Local Frames

Weitao Du, He Zhang, Yuanqi Du +4

Group equivariance (e.g. SE(3) equivariance) is a critical physical symmetry in science, from classical and quantum physics to computational biology. It enables robust and accurate…

cs.LG2021

Physics-Augmented Learning: A New Paradigm Beyond Physics-Informed Learning

Ziming Liu, Yunyue Chen, Yuanqi Du +1

Integrating physical inductive biases into machine learning can improve model generalizability. We generalize the successful paradigm of physics-informed learning (PIL) into a more…

cs.CV2021

Where is the disease? Semi-supervised pseudo-normality synthesis from an abnormal image

Yuanqi Du, Quan Quan, Hu Han +1

Pseudo-normality synthesis, which computationally generates a pseudo-normal image from an abnormal one (e.g., with lesions), is critical in many perspectives, from lesion detection…

cs.LG2021★ 69 cited

A Survey on Graph Structure Learning: Progress and Opportunities

Yanqiao Zhu, Weizhi Xu, Jinghao Zhang +5

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensit…