activity
20202026
most citedGraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

210 citations · 727 across the 35 of their papers we have counts for

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Showing 2020Show all

6 papers · 1 filter

cs.CL2020

Reciprocal Supervised Learning Improves Neural Machine Translation

Minkai Xu, Mingxuan Wang, Zhouhan Lin +3

Despite the recent success on image classification, self-training has only achieved limited gains on structured prediction tasks such as neural machine translation (NMT). This is m…

cs.LG2020★ 9 cited

Discriminator Contrastive Divergence: Semi-Amortized Generative Modeling by Exploring Energy of the Discriminator

Yuxuan Song, Qiwei Ye, Minkai Xu +1

Generative Adversarial Networks (GANs) have shown great promise in modeling high dimensional data. The learning objective of GANs usually minimizes some measure discrepancy, \texti…

cs.LG2020★ 3 cited

Infomax Neural Joint Source-Channel Coding via Adversarial Bit Flip

Yuxuan Song, Minkai Xu, Lantao Yu +3

Although Shannon theory states that it is asymptotically optimal to separate the source and channel coding as two independent processes, in many practical communication scenarios t…

cs.LG2020★ 12 cited

Energy-Based Imitation Learning

Minghuan Liu, Tairan He, Minkai Xu +1

We tackle a common scenario in imitation learning (IL), where agents try to recover the optimal policy from expert demonstrations without further access to the expert or environmen…

cs.LG2020★ 75 cited

A Graph to Graphs Framework for Retrosynthesis Prediction

Chence Shi, Minkai Xu, Hongyu Guo +2

A fundamental problem in computational chemistry is to find a set of reactants to synthesize a target molecule, a.k.a. retrosynthesis prediction. Existing state-of-the-art methods…

cs.LG2020★ 210 cited

GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

Chence Shi, Minkai Xu, Zhaocheng Zhu +3

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating c…