A Self-Attention Ansatz for Ab-initio Quantum Chemistry

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A Self-Attention Ansatz for Ab-initio Quantum Chemistry

24 November 2022

Ingrid von Glehn

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Papers citing "A Self-Attention Ansatz for Ab-initio Quantum Chemistry"

14 / 14 papers shown

Title
Are queries and keys always relevant? A case study on Transformer wave functions Riccardo Rende Luciano Loris Viteritti 74 7 0 29 May 2024
Discovering Quantum Phase Transitions with Fermionic Neural Networks G. Cassella H. Sutterud Sam Azadi N. Drummond David Pfau J. Spencer W. Foulkes 57 46 0 10 Feb 2022
Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation Jeffmin Lin Gil Goldshlager Lin Lin 75 25 0 07 Dec 2021
Perceiver IO: A General Architecture for Structured Inputs & Outputs Andrew Jaegle Sebastian Borgeaud Jean-Baptiste Alayrac Carl Doersch Catalin Ionescu ... Olivier J. Hénaff M. Botvinick Andrew Zisserman Oriol Vinyals João Carreira MLLM VLM GNN 93 584 0 30 Jul 2021
Perceiver: General Perception with Iterative Attention Andrew Jaegle Felix Gimeno Andrew Brock Andrew Zisserman Oriol Vinyals João Carreira VLM ViT MDE 210 1,024 0 04 Mar 2021
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 158 697 0 18 Jun 2020
Linformer: Self-Attention with Linear Complexity Sinong Wang Belinda Z. Li Madian Khabsa Han Fang Hao Ma 219 1,716 0 08 Jun 2020
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 232 457 0 16 Sep 2019
Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks David Pfau J. Spencer A. G. Matthews W. Foulkes 86 466 0 05 Sep 2019
Generating Long Sequences with Sparse Transformers R. Child Scott Gray Alec Radford Ilya Sutskever 135 1,919 0 23 Apr 2019
Large Batch Optimization for Deep Learning: Training BERT in 76 minutes Yang You Jing Li Sashank J. Reddi Jonathan Hseu Sanjiv Kumar Srinadh Bhojanapalli Xiaodan Song J. Demmel Kurt Keutzer Cho-Jui Hsieh ODL 272 998 0 01 Apr 2019
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 180 2,939 0 07 Oct 2016
Layer Normalization Jimmy Lei Ba J. Kiros Geoffrey E. Hinton 435 10,541 0 21 Jul 2016
Optimizing Neural Networks with Kronecker-factored Approximate Curvature James Martens Roger C. Grosse ODL 109 1,024 0 19 Mar 2015

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