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03/28/2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Molecule design is a fundamental problem in molecular science and has cr...
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02/22/2022
Structured Multi-task Learning for Molecular Property Prediction
Multi-task learning for molecular property prediction is becoming increa...
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02/16/2022
TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
Machine learning has huge potential to revolutionize the field of drug d...
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10/06/2021
An Analysis of Attentive Walk-Aggregating Graph Neural Networks
Graph neural networks (GNNs) have been shown to possess strong represent...
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03/25/2021
BERT4SO: Neural Sentence Ordering by Fine-tuning BERT
Sentence ordering aims to arrange the sentences of a given text in the c...
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01/27/2021
Neural Sentence Ordering Based on Constraint Graphs
Sentence ordering aims at arranging a list of sentences in the correct o...
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04/26/2020
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning
Over the last decade, there has been significant progress in the field o...
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06/06/2019
Bad Global Minima Exist and SGD Can Reach Them
Several recent works have aimed to explain why severely overparameterize...
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06/24/2018