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19962026
most citedJunction Tree Variational Autoencoder for Molecular Graph Generation

828 citations · 5.6k across the 171 of their papers we have counts for

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Showing 2017Show all

7 papers · 1 filter

stat.ML2017★ 6 cited

Structured Optimal Transport

David Alvarez-Melis, Tommi S. Jaakkola, Stefanie Jegelka

Optimal Transport has recently gained interest in machine learning for applications ranging from domain adaptation, sentence similarities to deep learning. Yet, its ability to capt…

cs.LG2017★ 191 cited

Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network

Wengong Jin, Connor W. Coley, Regina Barzilay +1

The prediction of organic reaction outcomes is a fundamental problem in computational chemistry. Since a reaction may involve hundreds of atoms, fully exploring the space of possib…

cs.CL2017★ 5 cited

Grounding Language for Transfer in Deep Reinforcement Learning

Karthik Narasimhan, Regina Barzilay, Tommi Jaakkola

In this paper, we explore the utilization of natural language to drive transfer for reinforcement learning (RL). Despite the wide-spread application of deep RL techniques, learning…

cs.LG2017★ 3 cited

A causal framework for explaining the predictions of black-box sequence-to-sequence models

David Alvarez-Melis, Tommi S. Jaakkola

We interpret the predictions of any black-box structured input-structured output model around a specific input-output pair. Our method returns an "explanation" consisting of groups…

cs.CL2017★ 644 cited

Style Transfer from Non-Parallel Text by Cross-Alignment

Tianxiao Shen, Tao Lei, Regina Barzilay +1

This paper focuses on style transfer on the basis of non-parallel text. This is an instance of a broad family of problems including machine translation, decipherment, and sentiment…

cs.NE2017★ 22 cited

Deriving Neural Architectures from Sequence and Graph Kernels

Tao Lei, Wengong Jin, Regina Barzilay +1

The design of neural architectures for structured objects is typically guided by experimental insights rather than a formal process. In this work, we appeal to kernels over combina…