Investigation of chemical structure recognition by encoder-decoder models in learning progress

24 October 2022

Papers citing "Investigation of chemical structure recognition by encoder-decoder models in learning progress"

12 / 12 papers shown

Title
Interpreting Deep Learning Models in Natural Language Processing: A Review Xiaofei Sun Diyi Yang Xiaoya Li Tianwei Zhang Yuxian Meng Han Qiu Guoyin Wang Eduard H. Hovy Jiwei Li 31 46 0 20 Oct 2021
Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention Hyunseung Kim Jonggeol Na Won Bo Lee 44 47 0 27 Feb 2021
How Neural Networks Extrapolate: From Feedforward to Graph Neural Networks Keyulu Xu Mozhi Zhang Jingling Li S. Du Ken-ichi Kawarabayashi Stefanie Jegelka MLT 101 312 0 24 Sep 2020
Molecule Attention Transformer Lukasz Maziarka Tomasz Danel Slawomir Mucha Krzysztof Rataj Jacek Tabor Stanislaw Jastrzebski 60 169 0 19 Feb 2020
Optuna: A Next-generation Hyperparameter Optimization Framework Takuya Akiba Shotaro Sano Toshihiko Yanase Takeru Ohta Masanori Koyama 527 5,769 0 25 Jul 2019
UMAP: Uniform Manifold Approximation and Projection for Dimension Reduction Leland McInnes John Healy James Melville 154 9,390 0 09 Feb 2018
In silico generation of novel, drug-like chemical matter using the LSTM neural network P. Ertl Richard A. Lewis E. Martin V. Polyakov 48 59 0 20 Dec 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 147 2,921 0 07 Oct 2016
Generating Sentences from a Continuous Space Samuel R. Bowman Luke Vilnis Oriol Vinyals Andrew M. Dai Rafal Jozefowicz Samy Bengio DRL 100 2,358 0 19 Nov 2015
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 191 3,345 0 30 Sep 2015
On the Properties of Neural Machine Translation: Encoder-Decoder Approaches Kyunghyun Cho B. V. Merrienboer Dzmitry Bahdanau Yoshua Bengio AI4CE AIMat 217 6,772 0 03 Sep 2014
Neural Machine Translation by Jointly Learning to Align and Translate Dzmitry Bahdanau Kyunghyun Cho Yoshua Bengio AIMat 505 27,263 0 01 Sep 2014