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Keqiang Yan

14 papers hereh-index 131.2k citations18 works total

Matching runs newest-first, so older work may not be attached to this profile yet.

author position
  • first author5
  • middle author8

Across the 13 of 14 papers where every author was matched, so the position is known.

fields
  • cs.LG8
  • cond-mat.mtrl-sci3
  • cs.AI1
  • physics.chem-ph1
  • q-bio.BM1

identity via Semantic Scholar / OpenAlex

activity
20212025
most citedJARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods

59 citations · 262 across the 14 of their papers we have counts for

collaborators
Showing 2021Show all

3 papers · 1 filter

cs.LG2021★ 57 cited

DIG: A Turnkey Library for Diving into Graph Deep Learning Research

Meng Liu, Youzhi Luo, Limei Wang +13

Although there exist several libraries for deep learning on graphs, they are aiming at implementing basic operations for graph deep learning. In the research community, implementin…

cs.LG2021★ 30 cited

GraphDF: A Discrete Flow Model for Molecular Graph Generation

Youzhi Luo, Keqiang Yan, Shuiwang Ji

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate m…

cs.LG2021★ 20 cited

GraphEBM: Molecular Graph Generation with Energy-Based Models

Meng Liu, Keqiang Yan, Bora Oztekin +1

We note that most existing approaches for molecular graph generation fail to guarantee the intrinsic property of permutation invariance, resulting in unexpected bias in generative…

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