Transfer Learning with Augmented Vocabulary for Tweet Classification : (Grand Challenge)

Author(s):  
Vineet Kumar ◽  
Karthikeya Racharla ◽  
Debapriyo Majumdar
Author(s):  
Zhen-Jia Pang ◽  
Ruo-Ze Liu ◽  
Zhou-Yu Meng ◽  
Yi Zhang ◽  
Yang Yu ◽  
...  

StarCraft II poses a grand challenge for reinforcement learning. The main difficulties include huge state space, varying action space, long horizon, etc. In this paper, we investigate a set of techniques of reinforcement learning for the full-length game of StarCraft II. We investigate a hierarchical approach, where the hierarchy involves two levels of abstraction. One is the macro-actions extracted from expert’s demonstration trajectories, which can reduce the action space in an order of magnitude yet remain effective. The other is a two-layer hierarchical architecture, which is modular and easy to scale. We also investigate a curriculum transfer learning approach that trains the agent from the simplest opponent to harder ones. On a 64×64 map and using restrictive units, we train the agent on a single machine with 4 GPUs and 48 CPU threads. We achieve a winning rate of more than 99% against the difficulty level-1 built-in AI. Through the curriculum transfer learning algorithm and a mixture of combat model, we can achieve over 93% winning rate against the most difficult noncheating built-in AI (level-7) within days. We hope this study could shed some light on the future research of large-scale reinforcement learning.


2006 ◽  
Vol 133 ◽  
pp. 35-35
Author(s):  
D. T. Goodin ◽  
R. W. Petzoldt ◽  
B. A. Vermillion ◽  
D. T. Frey ◽  
N. B. Alexander ◽  
...  

2019 ◽  
Author(s):  
Sukanya Sasmal ◽  
Léa El Khoury ◽  
David Mobley

The Drug Design Data Resource (D3R) Grand Challenges present an opportunity to assess, in the context of a blind predictive challenge, the accuracy and the limits of tools and methodologies designed to help guide pharmaceutical drug discovery projects. Here, we report the results of our participation in the D3R Grand Challenge 4, which focused on predicting the binding poses and affinity ranking for compounds targeting the beta-amyloid precursor protein (BACE-1). Our ligand similarity-based protocol using HYBRID (OpenEye Scientific Software) successfully identified poses close to the native binding mode for most of the ligands with less than 2 A RMSD accuracy. Furthermore, we compared the performance of our HYBRID-based approach to that of AutoDock Vina and Dock 6 and found that HYBRID performed better here for pose prediction. We also conducted end-point free energy estimates on protein-ligand complexes using molecular mechanics combined with generalized Born surface area method (MM-GBSA). We found that the binding affinity ranking based on MM-GBSA scores have poor correlation with the experimental values. Finally, the main lessons from our participation in D3R Grand Challenge 4 suggest that: i) the generation of the macrocycles conformers is a key step for successful pose prediction, ii) the protonation states of the BACE-1 binding site should be treated carefully, iii) the MM-GBSA method could not discriminate well between different predicted binding poses, and iv) the MM-GBSA method does not perform well at predicting protein-ligand binding affinities here.


2019 ◽  
Author(s):  
Qi Yuan ◽  
Alejandro Santana-Bonilla ◽  
Martijn Zwijnenburg ◽  
Kim Jelfs

<p>The chemical space for novel electronic donor-acceptor oligomers with targeted properties was explored using deep generative models and transfer learning. A General Recurrent Neural Network model was trained from the ChEMBL database to generate chemically valid SMILES strings. The parameters of the General Recurrent Neural Network were fine-tuned via transfer learning using the electronic donor-acceptor database from the Computational Material Repository to generate novel donor-acceptor oligomers. Six different transfer learning models were developed with different subsets of the donor-acceptor database as training sets. We concluded that electronic properties such as HOMO-LUMO gaps and dipole moments of the training sets can be learned using the SMILES representation with deep generative models, and that the chemical space of the training sets can be efficiently explored. This approach identified approximately 1700 new molecules that have promising electronic properties (HOMO-LUMO gap <2 eV and dipole moment <2 Debye), 6-times more than in the original database. Amongst the molecular transformations, the deep generative model has learned how to produce novel molecules by trading off between selected atomic substitutions (such as halogenation or methylation) and molecular features such as the spatial extension of the oligomer. The method can be extended as a plausible source of new chemical combinations to effectively explore the chemical space for targeted properties.</p>


2019 ◽  
Vol 6 (4) ◽  
pp. 12
Author(s):  
ABUBAKAR UMAR ◽  
A. BASHIR SULAIMON ◽  
BASHIR ABDULLAHI MUHAMMAD ◽  
S. ADEBAYO OLAWALE ◽  
◽  
...  

2014 ◽  
Author(s):  
Hiroshi Kanayama ◽  
Youngja Park ◽  
Yuta Tsuboi ◽  
Dongmook Yi
Keyword(s):  

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