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Alan Aspuru-Guzik

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Learning Interpretable Representations of Entanglement in Quantum Optics Experiments using Deep Generative Models

Sep 06, 2021
Daniel Flam-Shepherd, Tony Wu, Xuemei Gu, Alba Cervera-Lierta, Mario Krenn, Alan Aspuru-Guzik

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JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design

Jun 07, 2021
AkshatKumar Nigam, Robert Pollice, Alan Aspuru-Guzik

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Computer vision for liquid samples in hospitals and medical labs using hierarchical image segmentation and relations prediction

May 04, 2021
Sagi Eppel, Haoping Xu, Alan Aspuru-Guzik

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Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning

Dec 17, 2020
Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alan Aspuru-Guzik

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Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations

Dec 17, 2020
Cynthia Shen, Mario Krenn, Sagi Eppel, Alan Aspuru-Guzik

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Scientific intuition inspired by machine learning generated hypotheses

Oct 27, 2020
Pascal Friederich, Mario Krenn, Isaac Tamblyn, Alan Aspuru-Guzik

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Neural Message Passing on High Order Paths

Feb 24, 2020
Daniel Flam-Shepherd, Tony Wu, Pascal Friederich, Alan Aspuru-Guzik

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Graph Deconvolutional Generation

Feb 14, 2020
Daniel Flam-Shepherd, Tony Wu, Alan Aspuru-Guzik

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Generator evaluator-selector net: a modular approach for panoptic segmentation

Aug 27, 2019
Sagi Eppel, Alan Aspuru-Guzik

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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Nov 29, 2018
Daniil Polykovskiy, Alexander Zhebrak, Benjamin Sanchez-Lengeling, Sergey Golovanov, Oktai Tatanov, Stanislav Belyaev, Rauf Kurbanov, Aleksey Artamonov, Vladimir Aladinskiy, Mark Veselov, Artur Kadurin, Sergey Nikolenko, Alan Aspuru-Guzik, Alex Zhavoronkov

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