1.1k citations · 4k across the 47 of their papers we have counts for
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Learning Discrete Energy-based Models via Auxiliary-variable Local Exploration
Hanjun Dai, Rishabh Singh, Bo Dai +2
Discrete structures play an important role in applications like program language modeling and software engineering. Current approaches to predicting complex structures typically co…
Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders
Rohit Batra, Hanjun Dai, Tran Doan Huan +5
The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives.…
BUSTLE: Bottom-Up Program Synthesis Through Learning-Guided Exploration
Augustus Odena, Kensen Shi, David Bieber +3
Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs b…
Energy-based View of Retrosynthesis
Ruoxi Sun, Hanjun Dai, Li Li +2
Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine le…
Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
Binghong Chen, Chengtao Li, Hanjun Dai +1
Retrosynthetic planning is a critical task in organic chemistry which identifies a series of reactions that can lead to the synthesis of a target product. The vast number of possib…
Scalable Deep Generative Modeling for Sparse Graphs
Hanjun Dai, Azade Nazi, Yujia Li +2
Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However curren…
Learning to Stop While Learning to Predict
Xinshi Chen, Hanjun Dai, Yu Li +2
There is a recent surge of interest in designing deep architectures based on the update steps in traditional algorithms, or learning neural networks to improve and replace traditio…
Energy-Based Processes for Exchangeable Data
Mengjiao Yang, Bo Dai, Hanjun Dai +1
Recently there has been growing interest in modeling sets with exchangeability such as point clouds. A shortcoming of current approaches is that they restrict the cardinality of th…
Differentiable Top-k Operator with Optimal Transport
Yujia Xie, Hanjun Dai, Minshuo Chen +5
The top-k operation, i.e., finding the k largest or smallest elements from a collection of scores, is an important model component, which is widely used in information retrieval, m…
Retrosynthesis Prediction with Conditional Graph Logic Network
Hanjun Dai, Chengtao Li, Connor W. Coley +2
Retrosynthesis is one of the fundamental problems in organic chemistry. The task is to identify reactants that can be used to synthesize a specified product molecule. Recently, com…