52 citations · 118 across the 4 of their papers we have counts for
8 papers
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du, Tianfan Fu, Jimeng Sun +1
Molecule design is a fundamental problem in molecular science and has critical applications in a variety of areas, such as drug discovery, material science, etc. However, due to th…
TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
Zhaocheng Zhu, Chence Shi, Zuobai Zhang +12
Machine learning has huge potential to revolutionize the field of drug discovery and is attracting increasing attention in recent years. However, lacking domain knowledge (e.g., wh…
BERT4SO: Neural Sentence Ordering by Fine-tuning BERT
Yutao Zhu, Jian-Yun Nie, Kun Zhou +3
Sentence ordering aims to arrange the sentences of a given text in the correct order. Recent work frames it as a ranking problem and applies deep neural networks to it. In this wor…
Neural Sentence Ordering Based on Constraint Graphs
Yutao Zhu, Kun Zhou, Jian-Yun Nie +2
Sentence ordering aims at arranging a list of sentences in the correct order. Based on the observation that sentence order at different distances may rely on different types of inf…
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning
Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu +9
Over the last decade, there has been significant progress in the field of machine learning for de novo drug design, particularly in deep generative models. However, current generat…
Bad Global Minima Exist and SGD Can Reach Them
Shengchao Liu, Dimitris Papailiopoulos, Dimitris Achlioptas
Several works have aimed to explain why overparameterized neural networks generalize well when trained by Stochastic Gradient Descent (SGD). The consensus explanation that has emer…