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05/26/2021
BioNavi-NP: Biosynthesis Navigator for Natural Products
Nature, a synthetic master, creates more than 300,000 natural products (...
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06/29/2020
Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
Retrosynthetic planning is a critical task in organic chemistry which id...
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01/06/2020
Retrosynthesis Prediction with Conditional Graph Logic Network
Retrosynthesis is one of the fundamental problems in organic chemistry. ...
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07/28/2018
Improving Sequential Determinantal Point Processes for Supervised Video Summarization
It is now much easier than ever before to produce videos. While the ubiq...
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06/09/2018
Representation Learning on Graphs with Jumping Knowledge Networks
Recent deep learning approaches for representation learning on graphs fo...
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02/27/2018
Robust GANs against Dishonest Adversaries
Robustness of deep learning models is a property that has recently gaine...
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03/08/2017
Polynomial Time Algorithms for Dual Volume Sampling
We study dual volume sampling, a method for selecting k columns from an ...
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03/06/2017
Batched High-dimensional Bayesian Optimization via Structural Kernel Learning
Optimization of high-dimensional black-box functions is an extremely cha...
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08/02/2016
Fast Mixing Markov Chains for Strongly Rayleigh Measures, DPPs, and Constrained Sampling
We study probability measures induced by set functions with constraints....
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07/13/2016
Fast Sampling for Strongly Rayleigh Measures with Application to Determinantal Point Processes
In this note we consider sampling from (non-homogeneous) strongly Raylei...
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12/07/2015